data_1sae_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 1sae _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 ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.201 0.524 . . . . 1.7 109.669 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 44.3 m-85 -94.26 157.02 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.252 -0.905 . . . . 1.04 109.368 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -138.8 -170.53 2.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.325 -0.859 . . . . 0.65000000000000002 109.404 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -151.45 146.45 25.94 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.704 -0.85 . . . . 1.1399999999999999 108.704 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.41 135.68 32.3 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.376 -0.827 . . . . 1.0900000000000001 109.699 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.47 34.58 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.495 -0.928 . . . . 1.3700000000000001 108.495 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.2 113.86 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.419 -0.801 . . . . 1.1499999999999999 109.205 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.36 151.46 41.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.655 -0.653 . . . . 2.79 109.792 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 137.37 2.89 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.067 -1.213 . . . . 0.45000000000000001 110.067 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -81.88 -45.6 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.368 -1.078 . . . . 3.1600000000000001 109.353 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.37 -43.6 83.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.162 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.12 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.346 -0.846 . . . . 3.54 109.297 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.68 -56.5 18.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.613 -0.679 . . . . 0.5 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.97 -39.54 59.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.305 -0.872 . . . . 1.6599999999999999 109.724 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.2 -51.94 64.29 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.301 -0.874 . . . . 1.1499999999999999 110.349 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.93 -46.02 92.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.34000000000000002 108.944 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.39 -42.29 61.31 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.3 -0.875 . . . . 2.9399999999999999 109.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.4 -44.06 96.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 1.74 109.728 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.19 -46.46 90.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.942 . . . . 1.0700000000000001 109.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -58.19 -49.35 77.37 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.287 -0.883 . . . . 1.22 109.252 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.8 -38.74 91.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 1.72 109.578 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.61 56.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.759 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.72 -43.23 98.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.47 -35.46 74.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.902 . . . . 1.9099999999999999 109.147 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.83 -46.67 84.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.876 . . . . 1.1499999999999999 108.96 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.15 -50.58 67.65 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.738 -0.838 . . . . 2.1400000000000001 108.738 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.41 75.32 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.623 -0.673 . . . . 1.4299999999999999 109.197 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.68 64.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.838 . . . . 1.3 109.685 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 1.4199999999999999 109.407 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.256 0.55 . . . . 1.6100000000000001 109.646 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 44.5 m-85 -94.19 157.2 16.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.922 . . . . 0.96999999999999997 109.418 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -138.97 -170.68 2.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.841 . . . . 0.59999999999999998 109.402 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.43 146.47 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.759 -0.83 . . . . 1.1000000000000001 108.759 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.39 135.7 32.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.351 -0.843 . . . . 1.1000000000000001 109.805 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.36 34.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.523 -0.917 . . . . 1.3600000000000001 108.523 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.09 113.73 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.482 -0.761 . . . . 1.1699999999999999 109.283 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.22 151.39 41.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.634 -0.666 . . . . 2.79 109.864 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.09 137.32 2.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.039 -1.224 . . . . 0.47999999999999998 110.039 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.94 -45.52 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.413 -1.051 . . . . 3.2200000000000002 109.237 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.59 83.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.231 -0.918 . . . . 2.21 109.162 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.335 -0.853 . . . . 3.5499999999999998 109.287 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.62 -56.49 18.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.531 -0.731 . . . . 0.52000000000000002 109.768 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.91 -39.58 59.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.855 . . . . 1.6799999999999999 109.685 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.22 -51.95 64.17 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.337 -0.852 . . . . 1.1499999999999999 110.317 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.97 -45.95 92.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.33000000000000002 108.948 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.34 -42.31 61.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 3.02 109.302 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.48 -44.02 96.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.235 -0.915 . . . . 1.75 109.657 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.21 -46.48 90.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.208 -0.932 . . . . 1.0700000000000001 109.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.16 -49.4 77.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.36 -0.838 . . . . 1.21 109.321 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.78 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -53.51 57.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.0600000000000001 109.8 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.93 -43.01 99.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 1.0800000000000001 109.258 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.75 -35.28 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.315 -0.866 . . . . 1.9299999999999999 109.087 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.86 -46.7 83.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 1.1399999999999999 109.025 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.06 -50.61 67.69 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 2.1899999999999999 108.762 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -37.39 75.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 109.171 -0.678 . . . . 1.4299999999999999 109.171 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 1.3100000000000001 109.667 -179.848 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.203 0.525 . . . . 2.1099999999999999 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 45.2 m-85 -94.26 157.14 16.19 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.279 -0.888 . . . . 1.01 109.379 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.88 -170.7 2.92 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.36 -0.837 . . . . 0.57999999999999996 109.39 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -151.46 146.4 25.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 1.1599999999999999 108.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 61.2 tp -140.31 135.77 32.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.412 -0.805 . . . . 1.1699999999999999 109.792 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.52 130.46 34.57 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.534 -0.914 . . . . 1.8100000000000001 108.534 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.17 113.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.471 -0.768 . . . . 1.1299999999999999 109.229 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.29 151.38 41.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.723 -0.611 . . . . 2.8199999999999998 109.83 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.08 137.38 2.95 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.989 -1.244 . . . . 0.45000000000000001 109.989 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.98 -45.52 15.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.397 -1.061 . . . . 3.0800000000000001 109.235 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.42 -43.54 83.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.955 . . . . 2.54 109.156 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -63.28 -41.74 99.03 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.304 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.69 -56.45 18.99 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.53 -0.731 . . . . 0.56999999999999995 109.742 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.99 -39.5 59.5 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.347 -0.846 . . . . 1.6599999999999999 109.758 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.25 -52.0 63.92 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.322 -0.861 . . . . 1.29 110.297 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.85 -45.97 92.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.40000000000000002 109.02 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.38 -42.33 61.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.224 -0.922 . . . . 3.8500000000000001 109.27 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.47 -43.99 96.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.871 . . . . 1.78 109.74 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.13 -46.56 90.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.154 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -58.12 -49.41 77.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.286 -0.884 . . . . 1.2 109.282 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.79 91.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 109.589 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.45 58.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.373 -0.83 . . . . 1.0700000000000001 109.771 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.83 -43.11 98.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.27 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.65 -35.37 74.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.087 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.84 -46.74 83.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.437 -0.789 . . . . 1.3799999999999999 108.943 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.05 -50.67 67.5 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.764 -0.828 . . . . 2.6800000000000002 108.764 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.34 75.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.225 -0.657 . . . . 1.3400000000000001 109.225 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 1.3 109.679 -179.853 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.184 0.516 . . . . 1.6699999999999999 109.669 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 44.5 m-85 -94.22 157.07 16.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 1.01 109.37 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.84 -170.59 2.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.288 -0.882 . . . . 0.63 109.418 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -151.46 146.5 25.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.319 -0.863 . . . . 1.1299999999999999 108.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.3 tp -140.4 135.67 32.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.446 -0.784 . . . . 1.1000000000000001 109.722 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.5 130.43 34.58 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.463 -0.939 . . . . 1.3700000000000001 108.463 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.17 113.85 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.682 0.753 . . . . 1.1499999999999999 109.183 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -73.32 151.43 41.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.689 -0.632 . . . . 2.77 109.795 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.94 137.37 2.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.048 -1.221 . . . . 0.42999999999999999 110.048 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -82.04 -45.42 15.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -1.057 . . . . 3.1200000000000001 109.289 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.6 83.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.106 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.23 -41.83 99.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.322 -0.861 . . . . 3.5 109.287 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.66 -56.51 18.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.545 -0.722 . . . . 0.5 109.72 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.9 -39.62 59.36 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.745 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.15 -52.0 64.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 110.301 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.9 -45.95 92.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.32000000000000001 108.993 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.46 -42.22 61.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.288 -0.882 . . . . 2.96 109.306 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.41 -44.13 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.247 -0.908 . . . . 1.75 109.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.12 -46.5 90.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.239 -0.913 . . . . 1.0800000000000001 109.182 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 1.22 109.281 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.75 -38.82 92.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 1.73 109.581 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.56 57.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.806 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.83 -43.2 98.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 1.1100000000000001 109.281 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.57 -35.33 74.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.881 . . . . 1.9099999999999999 109.15 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.83 -46.71 83.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 1.1699999999999999 109.063 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.09 -50.63 67.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.746 -0.835 . . . . 2.1499999999999999 108.746 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.187 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -19.73 64.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.3 109.677 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 1.3999999999999999 109.433 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.22 0.533 . . . . 1.7 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -95.03 155.47 16.72 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.258 -0.901 . . . . 1.04 109.718 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.22 138.67 31.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.226 -0.921 . . . . 0.65000000000000002 109.1 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -96.36 161.71 13.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.304 -0.872 . . . . 1.1399999999999999 109.024 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.6 tp -149.31 135.29 18.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 1.0900000000000001 110.253 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.57 34.74 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.635 -0.876 . . . . 1.3700000000000001 108.635 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -124.33 118.06 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 CA-C-O 121.663 0.744 . . . . 1.1499999999999999 109.958 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.43 147.71 35.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.62 -0.675 . . . . 2.79 109.801 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.49 137.64 5.43 Favored Glycine 0 N--CA 1.496 2.681 0 O-C-N 121.139 -0.976 . . . . 0.45000000000000001 110.755 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.43 -43.36 13.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.549 -0.971 . . . . 3.1600000000000001 109.252 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.27 -45.92 91.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.186 -0.946 . . . . 2.2200000000000002 109.547 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -62.94 -40.71 98.47 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.249 -0.907 . . . . 3.54 109.667 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -52.64 52.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.406 -0.808 . . . . 0.5 109.616 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.25 -38.52 63.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 1.6599999999999999 110.037 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 60.0 ttp -64.61 -50.16 68.23 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.221 -0.925 . . . . 1.1499999999999999 110.621 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -59.71 -44.71 93.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.082 -1.011 . . . . 0.34000000000000002 109.016 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.84 -45.96 59.9 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.393 -0.817 . . . . 2.9399999999999999 109.54 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.06 -48.56 81.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 1.74 110.051 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.73 -38.8 86.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 109.164 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -59.12 -53.11 62.03 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.385 -0.822 . . . . 1.22 109.827 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.98 -33.7 76.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.72 110.105 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.71 31.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.937 . . . . 1.0700000000000001 110.318 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.23 -41.84 97.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 1.0800000000000001 109.53 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.46 75.03 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.1 -1.0 . . . . 1.9099999999999999 109.011 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.95 -52.03 53.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.461 -0.775 . . . . 1.1499999999999999 109.549 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.34 -38.77 90.76 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.699 0.762 . . . . 2.1400000000000001 109.059 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.32 -39.08 69.54 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.62 -0.675 . . . . 1.4299999999999999 109.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.76 47.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 1.3 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.845 . . . . 1.4199999999999999 109.849 -179.65 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.203 0.525 . . . . 1.6100000000000001 109.749 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -95.01 155.43 16.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.29 -0.881 . . . . 0.96999999999999997 109.649 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -142.14 138.69 31.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.303 -0.873 . . . . 0.59999999999999998 109.087 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -96.31 161.82 13.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 1.1000000000000001 109.061 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.8 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 1.1000000000000001 110.18 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.52 34.72 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.652 -0.87 . . . . 1.3600000000000001 108.652 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.26 118.13 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-O 121.643 0.735 . . . . 1.1699999999999999 109.883 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -77.55 147.79 35.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.598 -0.689 . . . . 2.79 109.76 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.54 137.69 5.47 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.691 -0.964 . . . . 0.47999999999999998 110.691 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.44 -43.41 13.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.471 -1.017 . . . . 3.2200000000000002 109.263 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.25 -45.83 91.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 2.21 109.563 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.474 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.5 ttm-85 -63.06 -40.67 98.39 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 3.5499999999999998 109.592 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.58 -52.5 54.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.455 -0.778 . . . . 0.52000000000000002 109.611 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -53.24 -38.54 63.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 110.029 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.63 -50.23 67.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 1.1499999999999999 110.577 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -59.74 -44.72 93.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.33000000000000002 108.975 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.75 -46.05 59.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.383 -0.823 . . . . 3.02 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.06 -48.61 80.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 1.75 110.047 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.65 -38.77 85.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 109.267 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.21 -53.12 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.21 109.731 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.02 -33.69 76.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.6899999999999999 110.115 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.64 32.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.214 -0.929 . . . . 1.0600000000000001 110.272 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.2 -41.85 97.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 1.0800000000000001 109.615 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.01 -35.44 75.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 1.9299999999999999 108.995 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.98 -51.82 54.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.463 -0.773 . . . . 1.1399999999999999 109.571 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.38 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.355 -0.841 . . . . 2.1899999999999999 108.984 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.25 -39.07 69.34 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.616 -0.678 . . . . 1.4299999999999999 109.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 1.3100000000000001 109.631 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.251 0.548 . . . . 2.1099999999999999 109.741 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -95.09 155.51 16.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -0.878 . . . . 1.01 109.705 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.2 138.58 31.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.216 -0.927 . . . . 0.57999999999999996 109.075 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -96.22 161.6 13.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.919 . . . . 1.1599999999999999 109.104 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.2 tp -149.26 135.45 19.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.972 . . . . 1.1699999999999999 110.165 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.34 128.55 34.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.635 -0.876 . . . . 1.8100000000000001 108.635 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.39 118.09 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-O 121.732 0.777 . . . . 1.1299999999999999 109.881 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.49 147.78 35.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 2.8199999999999998 109.772 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.57 137.66 5.47 Favored Glycine 0 N--CA 1.497 2.73 0 C-N-CA 120.257 -0.973 . . . . 0.45000000000000001 110.723 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -85.45 -43.46 13.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -1.027 . . . . 3.0800000000000001 109.228 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.25 -45.83 91.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.91 . . . . 2.54 109.579 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.73 98.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.264 -0.898 . . . . 4.1100000000000003 109.569 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.51 -52.59 53.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.435 -0.791 . . . . 0.56999999999999995 109.619 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -53.2 -38.57 62.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.882 . . . . 1.6599999999999999 110.028 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.56 -50.21 68.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.201 -0.937 . . . . 1.29 110.598 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -59.68 -44.73 93.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.40000000000000002 109.011 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.88 -45.94 60.24 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 3.8500000000000001 109.553 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.13 -48.56 81.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.385 -0.822 . . . . 1.78 109.999 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.65 -38.77 85.93 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.122 -0.986 . . . . 1.1699999999999999 109.22 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -59.27 -53.05 62.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 1.2 109.688 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.01 -33.65 76.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 2.1200000000000001 110.033 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -55.72 31.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 110.226 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -41.91 97.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.521 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.95 -35.51 75.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.172 -0.955 . . . . 2.0899999999999999 109.002 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.89 -51.94 54.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.3799999999999999 109.547 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.39 -38.91 91.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.435 -0.791 . . . . 2.6800000000000002 109.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.3 -38.99 69.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.659 -0.651 . . . . 1.3400000000000001 109.477 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 1.3 109.608 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.347 0.594 . . . . 1.6699999999999999 109.664 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -95.03 155.56 16.68 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.242 -0.911 . . . . 1.01 109.657 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.25 138.69 31.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.184 -0.947 . . . . 0.63 109.039 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -96.36 161.84 13.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 1.1299999999999999 109.055 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.026 . . . . 1.1000000000000001 110.195 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.18 128.57 34.72 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.703 -0.851 . . . . 1.3700000000000001 108.703 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.33 118.15 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 CA-C-O 121.603 0.716 . . . . 1.1499999999999999 109.867 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.59 147.81 35.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.639 -0.663 . . . . 2.77 109.795 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.53 137.56 5.42 Favored Glycine 0 N--CA 1.495 2.613 0 O-C-N 121.189 -0.944 . . . . 0.42999999999999999 110.764 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -85.4 -43.35 13.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.465 -1.021 . . . . 3.1200000000000001 109.263 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.34 -45.81 92.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.2200000000000002 109.527 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.478 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.64 98.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.283 -0.885 . . . . 3.5 109.612 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.67 -52.42 55.93 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.456 -0.777 . . . . 0.5 109.617 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.34 -38.47 63.28 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 1.6899999999999999 109.999 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 60.0 ttp -64.72 -50.08 68.34 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.197 -0.94 . . . . 1.1399999999999999 110.638 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.78 -44.72 93.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.064 -1.023 . . . . 0.32000000000000001 108.977 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -50.78 -46.01 59.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.409 -0.807 . . . . 2.96 109.537 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.11 -48.63 80.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.275 -0.89 . . . . 1.75 110.018 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.58 -38.82 85.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.093 -1.004 . . . . 1.0800000000000001 109.231 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.15 -53.15 61.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.277 -0.89 . . . . 1.22 109.712 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.01 -33.59 76.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 1.73 110.042 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.29 -55.73 31.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.122 -0.986 . . . . 1.0700000000000001 110.317 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.26 -41.83 97.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.088 -1.008 . . . . 1.1100000000000001 109.567 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.51 75.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.136 -0.977 . . . . 1.9099999999999999 108.972 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.92 -52.02 53.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.42 -0.8 . . . . 1.1699999999999999 109.571 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.34 -38.85 91.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.379 -0.826 . . . . 2.1499999999999999 108.993 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.27 -39.11 69.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.719 -0.613 . . . . 1.4399999999999999 109.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.77 -50.74 48.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 1.3 109.559 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.84 . . . . 1.3999999999999999 109.865 -179.682 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.318 0.58 . . . . 1.7 109.787 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.77 151.2 19.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.262 -0.899 . . . . 1.04 109.135 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.488 ' H ' ' NE2' ' C' ' 331' ' ' GLN . 80.3 m-85 -135.72 -169.05 2.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.347 -0.845 . . . . 0.65000000000000002 109.837 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.01 151.61 32.31 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.321 -0.992 . . . . 1.1399999999999999 108.321 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 65.0 tp -143.53 135.62 26.78 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.279 -0.888 . . . . 1.0900000000000001 109.895 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' C' ' 328' ' ' PHE . 5.4 tm0? -84.47 128.03 34.36 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.371 -0.974 . . . . 1.3700000000000001 108.371 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.1 mt -123.75 107.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 108.892 -0.781 . . . . 1.1499999999999999 108.892 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.52 142.8 42.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.53 -0.731 . . . . 2.79 109.845 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.5 133.3 7.95 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.878 -1.289 . . . . 0.45000000000000001 109.878 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.71 -46.9 20.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.365 -1.079 . . . . 3.1600000000000001 109.296 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -58.04 -44.15 87.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.355 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.12 -43.33 98.72 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.36 -0.837 . . . . 3.54 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -54.41 -58.65 6.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.569 -0.707 . . . . 0.5 109.868 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.32 -40.06 61.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.421 -0.799 . . . . 1.6599999999999999 109.745 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.223 -0.923 . . . . 1.1499999999999999 110.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.43 -47.99 83.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.119 -0.988 . . . . 0.34000000000000002 108.994 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.33 -43.04 61.63 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.682 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.85 -43.46 94.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -0.939 . . . . 1.74 109.939 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.57 -43.78 98.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 109.314 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.71 -51.37 69.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.229 -0.92 . . . . 1.22 109.455 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.97 -39.61 95.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.87 . . . . 1.72 109.803 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.36 65.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.325 -0.859 . . . . 1.0700000000000001 109.948 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.0800000000000001 109.486 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.59 -35.89 75.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 109.43 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.14 -49.28 74.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 109.351 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.54 78.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.388 -0.82 . . . . 2.1400000000000001 108.974 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.29 -31.06 67.12 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.545 -0.722 . . . . 1.4299999999999999 109.597 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.9 84.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 1.3 109.93 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.261 -0.899 . . . . 1.4199999999999999 109.46 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.305 0.574 . . . . 1.6100000000000001 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -93.72 151.09 19.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.192 -0.942 . . . . 0.96999999999999997 109.105 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.493 ' H ' ' NE2' ' D' ' 331' ' ' GLN . 80.6 m-85 -135.67 -169.08 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.327 -0.858 . . . . 0.59999999999999998 109.8 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -150.98 151.52 32.21 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.371 -0.974 . . . . 1.1000000000000001 108.371 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.41 135.72 27.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 1.1000000000000001 109.847 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' D' ' 328' ' ' PHE . 5.4 tm0? -84.72 128.02 34.4 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.367 -0.975 . . . . 1.3600000000000001 108.367 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.954 -0.758 . . . . 1.1699999999999999 108.954 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.44 142.76 42.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.567 -0.708 . . . . 2.79 109.889 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.39 133.23 7.91 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.855 -1.298 . . . . 0.47999999999999998 109.855 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -77.56 -46.95 20.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -1.126 . . . . 3.2200000000000002 109.38 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.96 -44.27 86.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.375 -0.828 . . . . 2.21 109.314 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.06 -43.35 98.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.314 -0.866 . . . . 3.5499999999999998 109.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.56 6.98 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.663 -0.648 . . . . 0.52000000000000002 109.965 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.29 -40.06 61.31 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 109.778 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -51.26 66.03 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.285 -0.884 . . . . 1.1499999999999999 109.983 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.44 -47.96 83.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.33000000000000002 109.003 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.92 61.91 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.338 -0.851 . . . . 3.02 109.64 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 1.75 109.946 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.69 -43.76 98.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.155 -0.966 . . . . 1.0700000000000001 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.65 -51.34 69.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.266 -0.896 . . . . 1.21 109.443 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.06 -39.54 95.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.827 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.97 -52.23 66.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -0.884 . . . . 1.0600000000000001 109.919 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.76 -43.84 98.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.468 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.47 -36.02 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.9299999999999999 109.376 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.18 -49.27 74.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 1.1399999999999999 109.337 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.08 -48.5 78.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.345 -0.847 . . . . 2.1899999999999999 108.984 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.26 -31.06 67.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.554 -0.716 . . . . 1.4299999999999999 109.626 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.927 . . . . 1.3100000000000001 109.902 -179.559 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.284 0.564 . . . . 2.1099999999999999 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -93.73 151.0 19.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.885 . . . . 1.01 109.185 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.54 ' H ' ' NE2' ' A' ' 331' ' ' GLN . 80.4 m-85 -135.6 -169.11 2.33 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.327 -0.858 . . . . 0.57999999999999996 109.831 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.5 p -150.99 151.49 32.16 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.354 -0.98 . . . . 1.1599999999999999 108.354 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 65.2 tp -143.43 135.72 27.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.216 -0.927 . . . . 1.1699999999999999 109.838 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' ' 328' ' ' PHE . 5.4 tm0? -84.74 127.96 34.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.37 -0.974 . . . . 1.8100000000000001 108.37 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.62 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 108.885 -0.783 . . . . 1.1299999999999999 108.885 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.55 142.77 42.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.583 -0.698 . . . . 2.8199999999999998 109.857 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.36 133.31 7.94 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.887 -1.285 . . . . 0.45000000000000001 109.887 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.55 -47.03 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -1.085 . . . . 3.0800000000000001 109.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.0 -44.08 87.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 2.54 109.364 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.24 -43.28 98.48 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.37 -0.831 . . . . 4.1100000000000003 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.51 -58.51 7.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.66 -0.65 . . . . 0.56999999999999995 109.897 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.44 -39.91 61.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.761 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.27 66.06 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.227 -0.921 . . . . 1.29 110.014 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.49 -47.92 83.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -0.965 . . . . 0.40000000000000002 109.013 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.93 61.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.352 -0.842 . . . . 3.8500000000000001 109.692 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.94 -43.38 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.261 -0.899 . . . . 1.78 109.901 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.65 -43.76 98.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.131 -0.981 . . . . 1.1699999999999999 109.285 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.73 -51.27 70.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 1.2 109.448 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.02 -39.6 95.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.336 -0.853 . . . . 2.1200000000000001 109.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -52.26 66.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.907 . . . . 1.0700000000000001 109.952 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.83 -43.83 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.93 . . . . 1.1399999999999999 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.43 -36.0 75.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.38 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -49.27 74.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -0.879 . . . . 1.3799999999999999 109.351 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.438 -0.789 . . . . 2.6800000000000002 108.925 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.24 -31.09 67.06 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.611 -0.68 . . . . 1.3400000000000001 109.623 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 1.3 109.917 -179.536 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.278 0.561 . . . . 1.6699999999999999 109.835 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.66 151.01 19.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.246 -0.909 . . . . 1.01 109.25 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.54 ' H ' ' NE2' ' B' ' 331' ' ' GLN . 80.4 m-85 -135.65 -169.06 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.406 -0.809 . . . . 0.63 109.836 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.1 151.42 31.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.433 -0.951 . . . . 1.1299999999999999 108.433 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 65.3 tp -143.34 135.68 27.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.234 -0.917 . . . . 1.1000000000000001 109.883 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.493 ' NE2' ' H ' ' B' ' 328' ' ' PHE . 5.4 tm0? -84.75 128.11 34.45 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.325 -0.991 . . . . 1.3700000000000001 108.325 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -123.78 107.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 N-CA-C 108.89 -0.781 . . . . 1.1499999999999999 108.89 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.42 142.86 42.95 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.631 -0.668 . . . . 2.77 109.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.34 133.26 7.92 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.887 -1.285 . . . . 0.42999999999999999 109.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.6 -46.98 20.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.388 -1.066 . . . . 3.1200000000000001 109.393 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.04 -44.13 87.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 2.2200000000000002 109.368 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.15 -43.36 98.53 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.38 -0.825 . . . . 3.5 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.58 6.89 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.587 -0.696 . . . . 0.5 109.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.34 -40.01 61.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.374 -0.829 . . . . 1.6899999999999999 109.793 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.26 66.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.228 -0.92 . . . . 1.1399999999999999 110.026 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.41 -48.02 83.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.32000000000000001 109.008 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.37 -42.97 61.73 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.308 -0.87 . . . . 2.96 109.742 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.51 94.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.92 . . . . 1.75 109.89 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.63 -43.81 98.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 1.0800000000000001 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -57.55 -51.52 69.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.295 -0.878 . . . . 1.22 109.463 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.98 -39.53 94.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 1.73 109.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.85 -52.3 66.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.84 -43.53 98.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.176 -0.953 . . . . 1.1100000000000001 109.469 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.75 -35.87 75.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.9099999999999999 109.407 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.3 -49.23 74.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -0.868 . . . . 1.1699999999999999 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.07 -48.57 78.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.444 -0.785 . . . . 2.1499999999999999 108.951 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.25 -31.15 67.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.543 -0.723 . . . . 1.4399999999999999 109.6 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.0 84.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.255 -0.903 . . . . 1.3 109.939 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.096 -1.003 . . . . 1.3999999999999999 109.525 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 21.1 mp0 . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.541 -0.54 . . . . 1.7 109.541 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 30.4 m-85 -98.0 151.83 19.91 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -0.891 . . . . 1.04 110.418 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.41 135.77 32.4 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.374 -0.973 . . . . 0.65000000000000002 108.374 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 71.1 p -96.84 160.71 14.21 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.249 -0.907 . . . . 1.1399999999999999 109.715 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -148.2 134.56 19.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 1.0900000000000001 109.81 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.59 129.64 34.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.543 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.96 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 N-CA-C 109.044 -0.725 . . . . 1.1499999999999999 109.044 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.8 154.9 35.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 2.79 110.19 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 139.26 2.23 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.411 -1.076 . . . . 0.45000000000000001 110.411 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -82.82 -47.56 11.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.353 -1.087 . . . . 3.1600000000000001 109.342 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.54 -37.5 73.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.831 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.86 -38.91 90.03 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.394 -0.816 . . . . 3.54 109.23 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.54 -52.2 64.5 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.566 -0.709 . . . . 0.5 109.878 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.35 -39.13 60.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.956 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.97 -53.37 55.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 1.1499999999999999 110.054 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.84 -45.1 95.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.995 . . . . 0.34000000000000002 108.94 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.23 -41.68 60.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 2.9399999999999999 109.213 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.92 63.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 1.74 109.503 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -38.88 86.03 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 108.563 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -55.8 30.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.426 -0.796 . . . . 1.22 109.361 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.14 -34.07 76.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 1.72 109.497 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.77 -55.34 34.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 109.756 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.73 -44.77 96.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 1.0800000000000001 109.64 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.09 -34.81 73.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.231 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.57 -50.74 66.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.355 -0.841 . . . . 1.1499999999999999 109.667 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.08 99.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 2.1400000000000001 109.061 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.51 -33.78 66.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.488 -0.758 . . . . 1.4299999999999999 109.406 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.05 -47.82 67.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.265 -0.897 . . . . 1.3 109.672 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 1.4199999999999999 109.643 -179.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 326' ' ' GLU . 21.2 mp0 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.316 0.579 . . . . 1.6100000000000001 109.504 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.4 m-85 -97.98 151.6 20.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.221 -0.924 . . . . 0.96999999999999997 110.438 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.15 135.82 32.86 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.29 -1.004 . . . . 0.59999999999999998 108.29 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.9 p -96.81 160.82 14.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.262 -0.899 . . . . 1.1000000000000001 109.74 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -148.24 134.44 19.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.355 -0.84 . . . . 1.1000000000000001 109.843 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.45 129.51 34.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 1.3600000000000001 109.593 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.3 mt -124.06 115.88 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.547 -0.721 . . . . 1.1699999999999999 109.108 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -75.67 155.13 36.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.365 -0.834 . . . . 2.79 110.206 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.14 139.2 2.1 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.429 -1.068 . . . . 0.47999999999999998 110.429 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -82.7 -47.76 11.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -1.08 . . . . 3.2200000000000002 109.264 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.5 -37.49 73.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.99 . . . . 2.21 108.814 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -61.79 -39.0 90.16 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.482 -0.761 . . . . 3.5499999999999998 109.257 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.46 -52.14 64.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.482 -0.761 . . . . 0.52000000000000002 110.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.37 -39.11 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.022 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -63.0 -53.33 55.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.107 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.85 -45.06 96.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.33000000000000002 108.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.2 -41.81 60.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 3.02 109.214 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.54 -52.82 64.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 1.75 109.61 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.55 -38.89 85.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 1.0700000000000001 108.607 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.63 -55.59 32.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.434 -0.791 . . . . 1.21 109.352 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.25 -33.96 76.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 109.536 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.83 -55.49 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.831 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.59 -44.92 96.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 109.566 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.125 -0.985 . . . . 1.9299999999999999 109.393 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.62 -50.63 66.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.279 -0.888 . . . . 1.1399999999999999 109.646 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.12 -43.14 99.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 109.013 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -56.43 -33.8 66.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.452 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 1.3100000000000001 109.6 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' C' ' 326' ' ' GLU . 21.4 mp0 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.529 -0.545 . . . . 2.1099999999999999 109.529 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 31.0 m-85 -98.08 151.72 20.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.268 -0.895 . . . . 1.01 110.397 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.26 135.9 32.77 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.373 -0.973 . . . . 0.57999999999999996 108.373 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -96.94 160.77 14.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.333 -0.854 . . . . 1.1599999999999999 109.737 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.0 tp -148.22 134.56 19.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.859 . . . . 1.1699999999999999 109.824 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.48 129.54 34.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.475 -0.765 . . . . 1.8100000000000001 109.607 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.12 116.0 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.536 -0.727 . . . . 1.1299999999999999 109.059 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.82 155.07 35.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.414 -0.804 . . . . 2.8199999999999998 110.132 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 139.23 2.18 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.371 -1.092 . . . . 0.45000000000000001 110.371 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.8 -47.66 11.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -1.076 . . . . 3.0800000000000001 109.247 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.44 -37.55 73.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 2.54 108.837 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.76 -39.07 90.33 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.387 -0.821 . . . . 4.1100000000000003 109.27 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -55.48 -52.18 64.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -0.779 . . . . 0.56999999999999995 109.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.42 -39.08 60.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.977 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.02 -53.36 55.11 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.191 -0.943 . . . . 1.29 110.065 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.84 -45.1 95.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.40000000000000002 108.877 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.21 -41.83 60.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.845 . . . . 3.8500000000000001 109.189 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -58.51 -52.81 64.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 1.78 109.595 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.52 -38.95 86.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 1.1699999999999999 108.606 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.59 -55.72 31.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.364 -0.835 . . . . 1.2 109.34 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.11 -34.04 76.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 2.1200000000000001 109.521 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.89 -55.4 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 109.763 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.63 -44.95 96.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.28 -0.888 . . . . 1.1399999999999999 109.626 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.85 -34.87 73.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 2.0899999999999999 109.341 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.66 -50.61 66.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.356 -0.84 . . . . 1.3799999999999999 109.644 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.14 99.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.379 -0.825 . . . . 2.6800000000000002 109.013 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -56.48 -33.8 66.31 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.417 -0.802 . . . . 1.3400000000000001 109.349 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.285 -0.885 . . . . 1.3 109.608 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' D' ' 326' ' ' GLU . 21.1 mp0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.304 0.574 . . . . 1.6699999999999999 109.542 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 30.1 m-85 -97.94 151.94 19.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.221 -0.924 . . . . 1.01 110.413 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.55 135.82 32.23 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.313 -0.995 . . . . 0.63 108.313 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 70.5 p -96.84 160.77 14.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.287 -0.883 . . . . 1.1299999999999999 109.725 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 35.7 tp -148.26 134.54 19.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.854 . . . . 1.1000000000000001 109.821 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.5 129.67 34.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.821 . . . . 1.3700000000000001 109.542 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.98 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.519 -0.738 . . . . 1.1499999999999999 109.1 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.73 154.96 36.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.808 . . . . 2.77 110.171 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.3 139.18 2.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.383 -1.087 . . . . 0.42999999999999999 110.383 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.68 -47.66 11.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -1.152 . . . . 3.1200000000000001 109.252 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -57.5 -37.65 73.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.051 -1.03 . . . . 2.2200000000000002 108.799 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.73 -38.99 90.0 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.503 -0.748 . . . . 3.5 109.213 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.52 -52.09 64.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.586 -0.696 . . . . 0.5 109.927 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.4 -39.18 60.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 1.6899999999999999 109.932 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.01 -53.29 56.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.078 -1.013 . . . . 1.1399999999999999 110.135 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.82 -45.07 95.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.32000000000000001 108.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.24 -41.75 60.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 2.96 109.163 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.81 64.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.75 109.598 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.6 -38.92 86.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 108.579 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.56 -55.64 32.18 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.422 -0.799 . . . . 1.22 109.355 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.2 -34.16 77.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 1.73 109.533 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -55.33 34.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.86 . . . . 1.0700000000000001 109.782 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.68 -44.79 96.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.833 . . . . 1.1100000000000001 109.672 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.14 -34.8 74.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.9099999999999999 109.265 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.6 -50.67 66.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -0.882 . . . . 1.1699999999999999 109.686 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.13 99.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 2.1499999999999999 108.999 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.44 -33.87 66.27 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.432 -0.792 . . . . 1.4399999999999999 109.423 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.82 67.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 1.3 109.634 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.297 -0.877 . . . . 1.3999999999999999 109.679 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.277 -0.638 . . . . 1.7 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.91 145.82 26.07 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.384 -0.822 . . . . 1.04 110.036 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -140.43 136.58 33.19 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.443 -0.947 . . . . 0.65000000000000002 108.443 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.67 162.42 13.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.37 -0.831 . . . . 1.1399999999999999 109.181 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 41.0 tp -149.4 132.32 16.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0900000000000001 109.941 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.41 126.39 33.2 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.83 111.0 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 O-C-N 121.587 -0.696 . . . . 1.1499999999999999 109.302 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.81 150.25 37.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.368 -0.832 . . . . 2.79 109.712 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.74 138.58 8.15 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.973 -1.251 . . . . 0.45000000000000001 109.973 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -84.72 -51.18 6.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -1.07 . . . . 3.1600000000000001 109.499 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.63 -42.28 83.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.33 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.56 -44.72 96.52 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.332 -0.855 . . . . 3.54 109.339 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.9 -55.1 34.24 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.673 -0.642 . . . . 0.5 109.772 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -52.39 -38.2 58.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.6599999999999999 109.936 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.23 70.49 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 110.615 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.34 -43.09 99.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.34000000000000002 109.17 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.69 -44.46 63.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 2.9399999999999999 109.386 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.79 -45.85 92.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.306 -0.871 . . . . 1.74 109.725 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.29 -0.881 . . . . 1.0700000000000001 109.224 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.44 -50.83 72.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.203 -0.935 . . . . 1.22 109.322 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.2 -36.68 82.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 1.72 109.355 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.35 70.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.304 -0.872 . . . . 1.0700000000000001 109.626 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 46.9 mt -62.34 -45.25 94.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.0800000000000001 109.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.58 -35.01 73.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.286 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.75 -50.32 69.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.418 -0.801 . . . . 1.1499999999999999 109.182 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.22 -40.07 88.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 2.1400000000000001 109.034 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 348' ' ' LEU . 1.8 m-20 -56.48 -36.18 68.8 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.516 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.908 . . . . 1.3 109.658 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.4199999999999999 109.369 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.402 -0.592 . . . . 1.6100000000000001 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.9 145.59 26.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.273 -0.892 . . . . 0.96999999999999997 110.157 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.29 136.44 33.28 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.452 -0.944 . . . . 0.59999999999999998 108.452 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.2 p -97.53 162.45 13.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.374 -0.829 . . . . 1.1000000000000001 109.2 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 41.2 tp -149.45 132.35 16.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.258 -0.901 . . . . 1.1000000000000001 109.906 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.36 126.35 33.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.612 -0.885 . . . . 1.3600000000000001 108.612 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.77 111.06 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.574 -0.704 . . . . 1.1699999999999999 109.35 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.89 150.27 37.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.79 109.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.61 8.12 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.032 -1.227 . . . . 0.47999999999999998 110.032 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -84.79 -51.15 6.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.404 -1.056 . . . . 3.2200000000000002 109.537 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.54 -42.45 82.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 2.21 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.45 -44.76 96.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.381 -0.825 . . . . 3.5499999999999998 109.343 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -54.98 -55.07 34.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.579 -0.7 . . . . 0.52000000000000002 109.759 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -52.37 -38.18 58.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 1.6799999999999999 109.975 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.44 -50.41 69.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.263 -0.898 . . . . 1.1499999999999999 110.525 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.22 -43.08 99.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.33000000000000002 109.213 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.73 -44.43 63.26 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.126 -0.984 . . . . 3.02 109.335 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.86 -45.77 93.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.201 -0.937 . . . . 1.75 109.73 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.219 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.43 -50.94 71.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.21 109.309 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.17 -36.62 82.41 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 109.398 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.32 70.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 1.0600000000000001 109.583 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.27 -45.03 95.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.35 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.9 -34.92 73.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.316 -0.865 . . . . 1.9299999999999999 109.243 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.78 -50.19 69.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.414 -0.804 . . . . 1.1399999999999999 109.192 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.32 -40.17 89.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 2.1899999999999999 108.942 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.52 -36.11 68.83 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.649 -0.657 . . . . 1.4299999999999999 109.514 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.3100000000000001 109.709 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.358 -0.608 . . . . 2.1099999999999999 109.358 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.95 145.69 26.22 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.221 -0.924 . . . . 1.01 110.145 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.28 136.56 33.41 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.427 -0.953 . . . . 0.57999999999999996 108.427 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -97.55 162.51 13.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.376 -0.828 . . . . 1.1599999999999999 109.294 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.5 132.26 15.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 1.1699999999999999 110.014 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.33 126.29 33.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.603 -0.888 . . . . 1.8100000000000001 108.603 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.4 mt -123.8 111.02 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.499 -0.751 . . . . 1.1299999999999999 109.294 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.75 150.27 37.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.369 -0.832 . . . . 2.8199999999999998 109.632 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.5 8.06 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.992 -1.243 . . . . 0.45000000000000001 109.992 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.66 -51.17 7.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -1.061 . . . . 3.0800000000000001 109.525 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.59 -42.33 82.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 2.54 109.349 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.62 -44.64 96.62 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 4.1100000000000003 109.303 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -55.03 35.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.604 -0.685 . . . . 0.56999999999999995 109.685 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.43 -38.26 58.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.968 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.39 -50.26 70.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 1.29 110.596 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.27 -43.13 99.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 0.40000000000000002 109.208 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.63 -44.55 62.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 3.8500000000000001 109.407 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.78 -45.83 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.315 -0.865 . . . . 1.78 109.73 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.53 -43.42 98.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.21 -0.931 . . . . 1.1699999999999999 109.232 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -58.54 -50.9 72.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 1.2 109.284 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.02 -36.76 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 109.417 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.32 70.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 1.0700000000000001 109.552 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 46.5 mt -62.34 -45.04 95.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 1.1399999999999999 109.385 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.88 -34.94 73.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.226 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.68 -50.19 70.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.331 -0.855 . . . . 1.3799999999999999 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.34 -40.18 89.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 2.6800000000000002 108.996 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' C' ' 348' ' ' LEU . 1.8 m-20 -56.51 -36.12 68.82 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.427 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.877 . . . . 1.3 109.66 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.413 -0.588 . . . . 1.6699999999999999 109.413 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -97.93 145.6 26.3 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.218 -0.926 . . . . 1.01 110.125 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.3 136.36 33.17 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.526 -0.916 . . . . 0.63 108.526 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.56 162.44 13.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.368 -0.833 . . . . 1.1299999999999999 109.195 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.38 132.33 16.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.165 -0.959 . . . . 1.1000000000000001 109.941 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -84.33 126.33 33.11 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.61 -0.885 . . . . 1.3700000000000001 108.61 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.82 111.05 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.6 -0.688 . . . . 1.1499999999999999 109.385 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.75 150.18 37.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.482 -0.761 . . . . 2.77 109.732 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.72 138.57 8.14 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.996 -1.242 . . . . 0.42999999999999999 109.996 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.75 -51.13 7.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -1.073 . . . . 3.1200000000000001 109.518 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.51 -42.53 82.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.362 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.39 -44.7 96.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.296 -0.878 . . . . 3.5 109.308 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.12 -54.99 36.16 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.585 -0.697 . . . . 0.5 109.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.025 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.35 70.02 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 1.1399999999999999 110.506 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.29 -43.02 99.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.32000000000000001 109.212 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.71 -44.49 63.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.145 -0.972 . . . . 2.96 109.387 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.84 -45.83 92.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.75 109.689 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.44 -43.56 98.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.051 -1.031 . . . . 1.0800000000000001 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -58.44 -50.97 71.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 1.22 109.335 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -36.68 82.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.835 . . . . 1.73 109.472 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -51.34 70.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.62 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.9 mt -62.3 -45.17 94.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 1.1100000000000001 109.334 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.74 -34.93 73.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.252 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.79 -50.3 69.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.371 -0.831 . . . . 1.1699999999999999 109.195 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.29 -40.01 88.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 2.1499999999999999 109.048 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.61 -36.07 69.0 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.69 -0.632 . . . . 1.4399999999999999 109.423 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.1 83.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.3 109.662 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 1.3999999999999999 109.328 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.439 -0.578 . . . . 1.7 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.49 147.79 23.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.301 -0.874 . . . . 1.04 109.915 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.56 -173.26 3.3 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.747 -0.834 . . . . 0.65000000000000002 108.747 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -150.58 149.92 30.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.171 -0.956 . . . . 1.1399999999999999 108.637 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.9 tp -142.09 133.28 26.23 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.295 -0.878 . . . . 1.0900000000000001 109.673 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.44 128.19 34.64 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.962 -0.755 . . . . 1.3700000000000001 108.962 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.86 114.76 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.5 -0.75 . . . . 1.1499999999999999 109.269 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -75.38 147.82 39.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.341 -0.849 . . . . 2.79 109.835 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.75 5.36 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.211 -1.155 . . . . 0.45000000000000001 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.34 -44.38 14.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -1.084 . . . . 3.1600000000000001 109.223 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.43 -46.7 83.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.866 . . . . 2.2200000000000002 109.075 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -62.88 -43.05 99.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 3.54 109.148 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.81 -55.6 28.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.621 -0.674 . . . . 0.5 109.751 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.75 -37.54 51.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 109.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -62.92 -52.44 63.05 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.241 -0.912 . . . . 1.1499999999999999 110.299 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.23 -42.75 99.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.34000000000000002 109.109 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.95 -42.49 62.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 2.9399999999999999 109.318 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.95 -51.96 67.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 1.74 109.782 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.35 -38.17 82.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.114 -0.991 . . . . 1.0700000000000001 108.837 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.32 -54.87 41.81 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.7 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -61.88 -34.14 75.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.72 109.798 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.71 72.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.737 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.86 -42.46 99.08 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.368 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.38 -40.81 83.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 108.888 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.53 -41.92 98.46 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.775 -0.824 . . . . 1.1499999999999999 108.775 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.252 -0.905 . . . . 2.1400000000000001 108.712 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.31 66.48 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.197 0.522 . . . . 1.4299999999999999 109.948 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.52 82.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.983 . . . . 1.3 109.746 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.87 . . . . 1.4199999999999999 109.832 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.463 -0.569 . . . . 1.6100000000000001 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -96.45 147.72 23.54 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.343 -0.848 . . . . 0.96999999999999997 109.941 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -135.5 -173.21 3.28 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.761 -0.829 . . . . 0.59999999999999998 108.761 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -150.66 149.77 30.26 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 108.645 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -141.95 133.31 26.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.721 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.38 128.2 34.63 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.962 -0.755 . . . . 1.3600000000000001 108.962 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.89 114.71 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.53 -0.731 . . . . 1.1699999999999999 109.294 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -75.22 147.82 40.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 2.79 109.959 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.92 136.73 5.31 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.248 -1.141 . . . . 0.47999999999999998 110.248 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.33 -44.33 15.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.479 -1.012 . . . . 3.2200000000000002 109.208 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -57.54 -46.83 83.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.265 -0.897 . . . . 2.21 109.043 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.56 -43.16 99.51 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 3.5499999999999998 109.206 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -54.81 -55.68 27.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.498 -0.751 . . . . 0.52000000000000002 109.719 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.77 -37.44 51.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.901 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.41 63.12 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.354 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.21 -42.78 99.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.117 -0.99 . . . . 0.33000000000000002 109.053 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.99 -42.49 63.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 3.02 109.353 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.87 -51.94 67.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.915 . . . . 1.75 109.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.25 -38.29 83.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.083 -1.01 . . . . 1.0700000000000001 108.858 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.35 -54.85 41.98 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 1.21 109.664 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -34.09 75.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 109.841 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.69 72.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 1.0600000000000001 109.781 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.89 -42.45 99.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.16 -0.963 . . . . 1.0800000000000001 109.389 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -58.42 -40.77 83.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 108.817 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 1.1399999999999999 108.819 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.47 -44.26 97.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 2.1899999999999999 108.654 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.22 -32.37 66.44 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.78 -0.575 . . . . 1.4299999999999999 110.021 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 1.3100000000000001 109.797 -179.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.449 -0.574 . . . . 2.1099999999999999 109.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.47 147.86 23.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.88 . . . . 1.01 109.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -135.6 -173.21 3.29 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.755 -0.831 . . . . 0.57999999999999996 108.755 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.3 p -150.6 149.96 30.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.093 -1.005 . . . . 1.1599999999999999 108.577 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.1 133.34 26.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.666 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.42 128.24 34.65 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.96 -0.756 . . . . 1.8100000000000001 108.96 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.87 114.74 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.442 -0.786 . . . . 1.1299999999999999 109.247 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.37 147.76 39.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.81 . . . . 2.8199999999999998 109.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.78 5.37 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.225 -1.15 . . . . 0.45000000000000001 110.225 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -83.33 -44.36 14.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.442 -1.034 . . . . 3.0800000000000001 109.225 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.54 -46.67 83.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.308 -0.87 . . . . 2.54 109.04 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.83 -43.03 99.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.286 -0.884 . . . . 4.1100000000000003 109.149 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -54.89 -55.66 28.09 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.643 -0.661 . . . . 0.56999999999999995 109.764 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.68 -37.46 50.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.932 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.45 62.98 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.247 -0.908 . . . . 1.29 110.302 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -42.7 99.07 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.115 -0.991 . . . . 0.40000000000000002 109.089 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -51.99 -42.55 63.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 3.8500000000000001 109.297 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.91 -51.9 67.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.78 109.839 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.26 -38.3 83.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 1.1699999999999999 108.871 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.34 -54.84 42.17 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.468 -0.77 . . . . 1.2 109.658 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -61.87 -34.09 75.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 2.1200000000000001 109.783 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.69 72.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 109.721 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.87 -42.41 99.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.133 -0.98 . . . . 1.1399999999999999 109.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.0899999999999999 108.758 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.76 -41.66 97.96 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.775 -0.824 . . . . 1.3799999999999999 108.775 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.6 -44.2 97.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.6800000000000002 108.657 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -32.33 66.35 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.191 0.52 . . . . 1.3400000000000001 110.049 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 1.3 109.81 -179.722 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.571 . . . . 1.6699999999999999 109.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -96.38 147.81 23.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.272 -0.892 . . . . 1.01 109.927 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.61 -173.3 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.746 -0.835 . . . . 0.63 108.746 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.6 p -150.67 149.64 30.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 1.1299999999999999 108.741 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.6 tp -141.88 133.32 26.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.324 -0.86 . . . . 1.1000000000000001 109.728 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.46 128.22 34.66 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.954 -0.758 . . . . 1.3700000000000001 108.954 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.84 114.79 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.462 -0.774 . . . . 1.1499999999999999 109.266 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.36 147.74 39.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.422 -0.798 . . . . 2.77 109.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.01 136.81 5.39 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.207 -1.157 . . . . 0.42999999999999999 110.207 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -83.35 -44.38 14.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.417 -1.049 . . . . 3.1200000000000001 109.235 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -57.5 -46.64 83.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -0.85 . . . . 2.2200000000000002 109.134 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.84 -43.07 99.78 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.362 -0.836 . . . . 3.5 109.181 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -54.84 -55.66 27.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.554 -0.716 . . . . 0.5 109.758 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -51.68 -37.49 50.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.312 -0.868 . . . . 1.6899999999999999 109.922 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -63.01 -52.4 63.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.275 -0.891 . . . . 1.1399999999999999 110.283 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -42.74 99.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.32000000000000001 109.116 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.98 -42.5 63.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 2.96 109.316 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.99 -51.86 67.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 1.75 109.819 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.27 -38.33 83.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.931 . . . . 1.0800000000000001 108.836 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.32 -54.84 42.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.453 -0.78 . . . . 1.22 109.634 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -61.89 -34.11 75.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 1.73 109.767 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.64 72.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.769 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.92 -42.43 99.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 1.1100000000000001 109.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.52 -40.7 83.66 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.241 -0.912 . . . . 1.9099999999999999 108.824 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.59 -41.73 98.32 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.835 -0.802 . . . . 1.1699999999999999 108.835 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.55 -44.23 97.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 2.1499999999999999 108.738 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.27 66.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.842 -0.536 . . . . 1.4399999999999999 110.034 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.53 82.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 1.3 109.768 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.351 -0.843 . . . . 1.3999999999999999 109.814 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.242 0.544 . . . . 1.7 109.737 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.67 154.42 17.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.208 -0.933 . . . . 1.04 109.231 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.91 -175.17 4.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.256 -0.902 . . . . 0.65000000000000002 109.573 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.79 148.36 29.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.296 -0.878 . . . . 1.1399999999999999 108.716 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.5 tp -141.07 133.3 28.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.359 -0.838 . . . . 1.0900000000000001 109.819 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.61 131.38 34.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.757 -0.831 . . . . 1.3700000000000001 108.757 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.1 mt -123.65 110.15 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 CA-C-O 121.642 0.734 . . . . 1.1499999999999999 109.436 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.409 ' C ' ' CD ' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.14 20.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.605 -0.684 . . . . 2.79 109.413 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.77 130.75 3.93 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.796 -1.321 . . . . 0.45000000000000001 109.796 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 335' ' ' ARG . 19.8 ttt-85 -78.94 -50.38 11.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -1.129 . . . . 3.1600000000000001 109.105 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.64 -45.07 85.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.335 -0.853 . . . . 2.2200000000000002 109.239 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.32 -41.09 98.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.298 -0.876 . . . . 3.54 109.447 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.22 -55.93 25.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 0.5 109.944 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.75 -38.32 47.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 110.021 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.121 -0.987 . . . . 1.1499999999999999 110.519 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.98 98.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.067 -1.021 . . . . 0.34000000000000002 109.295 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.48 -44.6 62.53 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.212 -0.93 . . . . 2.9399999999999999 109.567 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.39 -42.96 99.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 1.74 110.09 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.29 -39.75 91.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 1.0700000000000001 109.492 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -58.36 -52.71 64.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 1.22 109.824 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.72 -31.53 72.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 1.72 109.777 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -56.26 24.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 1.0700000000000001 110.22 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.16 -39.75 91.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.0800000000000001 109.514 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.09 -41.78 88.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.302 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.21 -42.6 96.54 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.391 -0.966 . . . . 1.1499999999999999 108.391 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.303 -0.999 . . . . 2.1400000000000001 108.303 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -32.47 67.27 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.094 -0.706 . . . . 1.4299999999999999 109.094 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.9 65.79 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.335 -0.853 . . . . 1.3 109.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 1.4199999999999999 109.218 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.267 0.556 . . . . 1.6100000000000001 109.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -93.71 154.47 17.78 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.235 -0.916 . . . . 0.96999999999999997 109.344 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -138.89 -175.13 4.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.248 -0.907 . . . . 0.59999999999999998 109.512 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.91 148.25 28.89 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.639 -0.875 . . . . 1.1000000000000001 108.639 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.16 133.26 27.85 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.264 -0.898 . . . . 1.1000000000000001 109.753 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.58 131.35 34.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.754 -0.832 . . . . 1.3600000000000001 108.754 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.5 mt -123.58 110.1 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.491 -0.755 . . . . 1.1699999999999999 109.52 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.411 ' CD ' ' C ' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.16 20.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.643 -0.66 . . . . 2.79 109.414 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.8 130.63 3.91 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.823 -1.311 . . . . 0.47999999999999998 109.823 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' B' ' 335' ' ' ARG . 20.0 ttt-85 -78.83 -50.33 11.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.121 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.68 -45.1 86.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.872 . . . . 2.21 109.245 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.35 -40.94 98.67 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 3.5499999999999998 109.394 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.25 -55.96 25.41 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.524 -0.735 . . . . 0.52000000000000002 109.96 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -38.38 46.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.038 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.19 -51.95 61.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.165 -0.959 . . . . 1.1499999999999999 110.46 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.94 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.049 -1.032 . . . . 0.33000000000000002 109.218 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.42 -44.74 62.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.244 -0.91 . . . . 3.02 109.575 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.23 -43.11 99.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.75 110.085 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.3 -39.64 91.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.482 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.45 -52.7 64.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.939 . . . . 1.21 109.729 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -31.53 72.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.6899999999999999 109.806 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.97 -56.42 22.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 1.0600000000000001 110.154 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.14 -39.77 91.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.114 -0.991 . . . . 1.0800000000000001 109.47 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.02 -41.77 88.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.415 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.21 -42.55 96.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.422 -0.955 . . . . 1.1399999999999999 108.422 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.36 -45.43 88.23 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.325 -0.991 . . . . 2.1899999999999999 108.325 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.66 -32.37 67.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.044 -0.724 . . . . 1.4299999999999999 109.044 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 O-C-N 121.297 -0.877 . . . . 1.3100000000000001 109.252 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.198 0.523 . . . . 2.1099999999999999 109.747 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.59 154.45 17.84 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.268 -0.895 . . . . 1.01 109.334 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -138.93 -175.04 4.01 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.309 -0.87 . . . . 0.57999999999999996 109.535 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.88 148.38 29.06 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.638 -0.875 . . . . 1.1599999999999999 108.638 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.25 133.2 27.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.875 . . . . 1.1699999999999999 109.743 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.52 131.34 34.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.746 -0.835 . . . . 1.8100000000000001 108.746 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.59 110.15 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.366 -0.834 . . . . 1.1299999999999999 109.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.403 ' C ' ' CD ' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -75.96 120.16 20.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.612 -0.68 . . . . 2.8199999999999998 109.429 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.82 130.72 3.92 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.758 -1.337 . . . . 0.45000000000000001 109.758 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' C' ' 335' ' ' ARG . 19.9 ttt-85 -78.88 -50.28 11.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.364 -1.08 . . . . 3.0800000000000001 109.09 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.78 -45.1 86.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.309 -0.869 . . . . 2.54 109.153 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.355 -0.841 . . . . 4.1100000000000003 109.475 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.26 -55.92 25.88 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.536 -0.728 . . . . 0.56999999999999995 109.959 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.82 -38.23 47.5 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 1.6599999999999999 110.063 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.25 -51.87 61.5 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.15 -0.969 . . . . 1.29 110.473 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.89 98.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.075 -1.015 . . . . 0.40000000000000002 109.307 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.58 -44.6 62.83 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.127 -0.983 . . . . 3.8500000000000001 109.593 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.33 -42.97 99.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.78 110.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.24 -39.79 91.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 1.1699999999999999 109.507 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.35 -52.71 64.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 1.2 109.754 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -31.45 72.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.224 -0.923 . . . . 2.1200000000000001 109.786 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -56.32 23.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.89 . . . . 1.0700000000000001 110.2 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.14 -39.72 91.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 1.1399999999999999 109.551 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.16 -41.73 89.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 109.341 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.24 -42.49 96.5 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.397 -0.964 . . . . 1.3799999999999999 108.397 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.39 -45.48 88.26 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.309 -0.997 . . . . 2.6800000000000002 108.309 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.54 -32.51 67.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.068 -0.716 . . . . 1.3400000000000001 109.068 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.371 -0.831 . . . . 1.3 109.253 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.196 0.522 . . . . 1.6699999999999999 109.694 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -93.69 154.42 17.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.273 -0.892 . . . . 1.01 109.241 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -138.86 -175.09 4.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.63 109.595 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.4 p -149.92 148.28 28.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 1.1299999999999999 108.698 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 48.6 tp -141.2 133.17 27.63 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 109.772 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.44 131.29 34.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.792 -0.818 . . . . 1.3700000000000001 108.792 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.63 110.02 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.472 -0.768 . . . . 1.1499999999999999 109.513 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.41 ' CD ' ' C ' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -75.88 120.16 20.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.651 -0.656 . . . . 2.77 109.467 179.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.87 130.69 3.91 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 109.765 -1.334 . . . . 0.42999999999999999 109.765 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' D' ' 335' ' ' ARG . 19.6 ttt-85 -78.96 -50.28 11.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.354 -1.086 . . . . 3.1200000000000001 109.114 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.61 -45.27 85.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.822 . . . . 2.2200000000000002 109.173 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.372 -0.83 . . . . 3.5 109.499 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.23 -55.96 25.35 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.411 -0.805 . . . . 0.5 109.929 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.74 -38.4 47.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.6899999999999999 110.047 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.16 -51.81 62.04 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.224 -0.923 . . . . 1.1399999999999999 110.526 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.32000000000000001 109.279 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.54 -44.7 62.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.211 -0.931 . . . . 2.96 109.562 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.35 -42.88 99.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 1.75 110.139 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.28 -39.7 91.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.16 -0.963 . . . . 1.0800000000000001 109.539 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.37 -52.8 64.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 1.22 109.71 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.65 -31.55 72.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.73 109.823 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.99 -56.42 22.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 110.145 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.08 -39.79 91.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 1.1100000000000001 109.473 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.14 -41.66 88.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.339 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.25 -42.59 96.42 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.419 -0.956 . . . . 1.1699999999999999 108.419 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.289 -1.004 . . . . 2.1499999999999999 108.289 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.63 -32.45 67.27 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.055 -0.72 . . . . 1.4399999999999999 109.055 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.95 65.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 1.3 109.299 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 1.3999999999999999 109.324 179.705 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.342 0.592 . . . . 1.7 109.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.92 152.88 17.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.254 -0.904 . . . . 1.04 109.745 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.06 -166.78 1.75 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.533 -0.729 . . . . 0.65000000000000002 109.251 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -151.94 145.69 25.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.939 . . . . 1.1399999999999999 108.896 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.49 137.43 33.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.363 -0.836 . . . . 1.0900000000000001 109.847 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.01 133.52 33.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.909 -0.775 . . . . 1.3700000000000001 108.909 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.36 117.25 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.461 -0.774 . . . . 1.1499999999999999 109.365 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -75.11 151.53 38.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.641 -0.662 . . . . 2.79 109.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.91 142.83 4.02 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.49 -1.044 . . . . 0.45000000000000001 110.49 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.35 -48.95 11.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -1.052 . . . . 3.1600000000000001 109.03 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.37 -37.86 73.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.853 . . . . 2.2200000000000002 108.749 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.562 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.15 -43.87 87.57 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.377 -0.827 . . . . 3.54 109.03 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.03 -57.39 12.33 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.642 -0.661 . . . . 0.5 109.792 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.58 -39.75 58.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.327 -0.858 . . . . 1.6599999999999999 109.928 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.51 -52.54 60.79 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.146 -0.971 . . . . 1.1499999999999999 110.184 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.95 -46.07 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.14 -0.975 . . . . 0.34000000000000002 109.13 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.81 -41.43 57.36 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.195 -0.941 . . . . 2.9399999999999999 109.414 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.96 -54.04 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 1.74 109.753 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -38.68 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 108.663 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.24 -55.62 32.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.7 . . . . 1.22 109.474 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.7 -33.67 75.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 1.72 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.55 69.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.381 -0.824 . . . . 1.0700000000000001 109.541 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.87 -45.65 92.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.13 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.52 -35.99 73.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 1.9099999999999999 109.175 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.85 75.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 109.198 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.8 -44.4 96.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.37 -0.831 . . . . 2.1400000000000001 108.769 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.78 -32.89 66.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.614 -0.679 . . . . 1.4299999999999999 109.573 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.24 79.25 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 1.3 109.639 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 1.4199999999999999 109.695 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.453 -0.573 . . . . 1.6100000000000001 109.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -94.89 152.83 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.96999999999999997 109.709 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.0 -166.8 1.75 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.589 -0.694 . . . . 0.59999999999999998 109.24 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.92 145.59 24.99 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.192 -0.942 . . . . 1.1000000000000001 108.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.42 137.46 33.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.402 -0.811 . . . . 1.1000000000000001 109.846 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.0 133.54 33.91 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.912 -0.773 . . . . 1.3600000000000001 108.912 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.42 117.24 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.433 -0.792 . . . . 1.1699999999999999 109.371 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.55 38.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.636 -0.665 . . . . 2.79 109.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.86 4.0 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.458 -1.057 . . . . 0.47999999999999998 110.458 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.31 -48.94 11.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -1.046 . . . . 3.2200000000000002 109.096 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.4 -37.87 73.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.885 . . . . 2.21 108.763 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.561 HH11 ' HB2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.08 -43.9 87.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.336 -0.852 . . . . 3.5499999999999998 109.097 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.17 -57.31 12.72 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.748 -0.595 . . . . 0.52000000000000002 109.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.44 -39.88 58.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 1.6799999999999999 109.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.48 -52.48 61.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.132 -0.98 . . . . 1.1499999999999999 110.217 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.94 -46.19 90.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.095 -1.003 . . . . 0.33000000000000002 109.093 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.72 -41.43 56.24 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.211 -0.931 . . . . 3.02 109.496 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.97 -54.03 50.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.237 -0.914 . . . . 1.75 109.779 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.93 -38.85 83.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.163 -0.961 . . . . 1.0700000000000001 108.642 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.22 -55.59 32.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.562 -0.711 . . . . 1.21 109.443 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.61 -33.78 75.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.433 -0.792 . . . . 1.6899999999999999 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.58 69.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.313 -0.867 . . . . 1.0600000000000001 109.592 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.79 -45.7 92.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 109.117 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.47 -36.0 73.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.365 -0.834 . . . . 1.9299999999999999 109.193 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.89 75.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.397 -0.814 . . . . 1.1399999999999999 109.162 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.393 -0.817 . . . . 2.1899999999999999 108.837 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.67 -32.93 65.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.63 -0.668 . . . . 1.4299999999999999 109.554 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 1.3100000000000001 109.594 -179.782 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.344 0.592 . . . . 2.1099999999999999 109.441 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.86 152.84 18.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.28 -0.888 . . . . 1.01 109.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.08 -166.78 1.75 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.589 -0.694 . . . . 0.57999999999999996 109.156 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -151.96 145.58 24.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.205 -0.934 . . . . 1.1599999999999999 108.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -140.4 137.58 34.12 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.442 -0.786 . . . . 1.1699999999999999 109.857 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.11 133.5 33.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.814 -0.81 . . . . 1.8100000000000001 108.814 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -123.42 117.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 121.492 -0.755 . . . . 1.1299999999999999 109.396 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -75.18 151.57 38.49 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.396 0.617 . . . . 2.8199999999999998 109.802 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.92 142.83 4.03 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.466 -1.053 . . . . 0.45000000000000001 110.466 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -81.2 -49.06 11.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.465 -1.02 . . . . 3.0800000000000001 109.087 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.38 -37.85 73.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.24 -0.913 . . . . 2.54 108.752 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.563 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.14 -43.83 87.53 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.394 -0.816 . . . . 4.1100000000000003 109.076 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.2 -57.27 12.9 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.749 -0.594 . . . . 0.56999999999999995 109.801 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -51.52 -39.84 58.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.942 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.56 -52.45 61.0 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.215 -0.928 . . . . 1.29 110.234 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.0 -46.05 90.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.067 -1.021 . . . . 0.40000000000000002 109.117 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.79 -41.41 57.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.174 -0.953 . . . . 3.8500000000000001 109.416 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.03 -53.96 51.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 1.78 109.777 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.07 -38.7 83.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 1.1699999999999999 108.613 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.3 -55.61 32.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.51 -0.744 . . . . 1.2 109.447 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.51 -33.88 75.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 2.1200000000000001 109.361 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.84 -51.54 69.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 109.504 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.89 -45.62 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.061 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.59 -35.92 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 2.0899999999999999 109.174 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 21.3 tp -63.61 -48.9 75.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 1.3799999999999999 109.228 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.405 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 14.9 ttmm -62.79 -44.4 96.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.35 -0.844 . . . . 2.6800000000000002 108.812 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.77 -32.87 66.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.69 -0.631 . . . . 1.3400000000000001 109.537 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 1.3 109.672 -179.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.365 0.602 . . . . 1.6699999999999999 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -95.0 152.71 18.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.233 -0.917 . . . . 1.01 109.653 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -130.9 -166.73 1.73 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.701 . . . . 0.63 109.276 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.95 145.67 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.144 -0.973 . . . . 1.1299999999999999 108.837 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.5 tp -140.47 137.47 33.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.395 -0.816 . . . . 1.1000000000000001 109.855 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.05 133.51 33.89 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.36 117.18 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.485 -0.759 . . . . 1.1499999999999999 109.419 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.6 38.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.666 -0.646 . . . . 2.77 109.842 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.79 3.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.536 -1.026 . . . . 0.42999999999999999 110.536 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.21 -48.99 11.33 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -1.051 . . . . 3.1200000000000001 109.124 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.34 -37.88 73.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -0.888 . . . . 2.2200000000000002 108.751 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.564 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.24 -43.78 87.94 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.31 -0.869 . . . . 3.5 109.048 179.525 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.16 -57.36 12.53 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.347 0.594 . . . . 0.5 109.769 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.49 -39.83 58.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.301 -0.874 . . . . 1.6899999999999999 109.97 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.47 -52.54 60.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.16 -0.962 . . . . 1.1399999999999999 110.222 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.91 -46.21 90.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.022 -1.048 . . . . 0.32000000000000001 109.095 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -50.71 -41.45 56.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.201 -0.937 . . . . 2.96 109.444 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.98 -54.04 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 1.75 109.73 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.99 -38.73 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 1.0800000000000001 108.61 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.26 -55.66 32.01 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.527 -0.733 . . . . 1.22 109.393 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.405 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 45.0 tt0 -62.69 -33.65 75.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 1.73 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.86 -51.55 69.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.349 -0.844 . . . . 1.0700000000000001 109.593 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.92 -45.65 92.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 1.1100000000000001 109.061 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.47 -35.96 72.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.297 -0.877 . . . . 1.9099999999999999 109.219 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.63 -48.85 75.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.41 -0.806 . . . . 1.1699999999999999 109.222 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.413 -0.804 . . . . 2.1499999999999999 108.839 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.68 -32.96 65.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.713 -0.617 . . . . 1.4399999999999999 109.531 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.18 79.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 1.3 109.629 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 1.3999999999999999 109.632 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.152 0.501 . . . . 1.7 109.654 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -98.26 153.32 18.58 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.207 -0.933 . . . . 1.04 109.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -141.2 139.0 33.75 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.705 -0.85 . . . . 0.65000000000000002 108.705 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -98.98 161.58 13.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.438 -0.789 . . . . 1.1399999999999999 109.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.09 132.76 17.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.063 -1.023 . . . . 1.0900000000000001 110.157 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.67 127.16 34.42 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.722 -0.844 . . . . 1.3700000000000001 108.722 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.65 109.29 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.474 -0.766 . . . . 1.1499999999999999 109.391 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.53 152.2 39.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.397 -0.814 . . . . 2.79 109.518 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.8 130.2 4.9 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.954 -1.258 . . . . 0.45000000000000001 109.954 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.491 ' NH1' ' OE2' ' A' ' 339' ' ' GLU . 1.3 tmt_? -73.7 -48.69 30.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.43 -1.041 . . . . 3.1600000000000001 109.458 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 2.2200000000000002 109.21 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.528 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -55.59 -42.57 74.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.364 -0.835 . . . . 3.54 109.922 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -54.53 -57.95 9.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.569 -0.707 . . . . 0.5 110.128 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.491 ' OE2' ' NH1' ' A' ' 335' ' ' ARG . 44.7 mt-10 -50.44 -41.37 52.57 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 110.093 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.22 48.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.737 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.01 -47.91 82.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.952 -1.093 . . . . 0.34000000000000002 109.12 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.61 -43.33 62.49 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.215 -0.928 . . . . 2.9399999999999999 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.66 -43.95 97.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.121 -0.987 . . . . 1.74 109.963 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.29 -43.94 98.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 109.443 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -58.78 -49.36 77.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.198 -0.939 . . . . 1.22 109.673 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.73 98.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.875 . . . . 1.72 110.1 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.26 24.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 1.0700000000000001 109.986 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.09 -42.18 98.03 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 1.0800000000000001 109.531 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.51 -34.17 73.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.482 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.27 -50.26 68.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 109.395 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -63.0 -45.96 89.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.342 -0.849 . . . . 2.1400000000000001 108.971 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -57.62 -38.11 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.631 -0.668 . . . . 1.4299999999999999 109.755 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.65 71.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 1.3 109.922 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.37 -0.831 . . . . 1.4199999999999999 109.8 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.23 0.538 . . . . 1.6100000000000001 109.676 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -98.33 153.34 18.61 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.179 -0.951 . . . . 0.96999999999999997 109.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -141.17 139.05 33.81 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.756 -0.831 . . . . 0.59999999999999998 108.756 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -99.1 161.51 13.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.808 . . . . 1.1000000000000001 109.046 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.7 tp -148.0 132.85 18.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 1.1000000000000001 110.106 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.76 127.12 34.46 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.644 -0.873 . . . . 1.3600000000000001 108.644 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.7 109.48 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.507 -0.746 . . . . 1.1699999999999999 109.363 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.59 152.17 39.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.389 -0.819 . . . . 2.79 109.536 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.76 130.35 4.93 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.928 -1.269 . . . . 0.47999999999999998 109.928 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' B' ' 339' ' ' GLU . 1.3 tmt_? -73.82 -48.66 29.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 3.2200000000000002 109.418 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.29 -41.65 80.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 2.21 109.203 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.539 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -55.51 -42.7 74.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.477 -0.764 . . . . 3.5499999999999998 109.832 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.51 -57.89 9.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.525 -0.734 . . . . 0.52000000000000002 110.096 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' B' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.32 53.49 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.293 -0.879 . . . . 1.6799999999999999 110.01 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.17 -53.26 47.65 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.163 -0.96 . . . . 1.1499999999999999 110.7 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.97 -47.89 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.056 -1.028 . . . . 0.33000000000000002 109.108 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.68 -43.27 62.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.271 -0.893 . . . . 3.02 109.5 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.79 -43.85 97.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 1.75 109.903 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.36 -43.8 98.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.483 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.96 -49.25 78.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.297 -0.877 . . . . 1.21 109.579 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.21 -40.88 98.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 110.049 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.75 -56.23 24.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 1.0600000000000001 110.016 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.13 -42.21 98.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.286 -0.884 . . . . 1.0800000000000001 109.48 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.43 -34.24 73.68 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.23 -0.919 . . . . 1.9299999999999999 109.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.26 -50.22 68.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.907 . . . . 1.1399999999999999 109.408 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.0 -45.94 90.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.289 -0.882 . . . . 2.1899999999999999 108.987 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -57.6 -38.11 74.35 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.751 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.3100000000000001 109.9 -179.616 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.176 0.512 . . . . 2.1099999999999999 109.634 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.28 153.24 18.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.176 -0.953 . . . . 1.01 109.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -141.14 139.15 33.88 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.725 -0.843 . . . . 0.57999999999999996 108.725 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -99.03 161.66 13.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.46 -0.775 . . . . 1.1599999999999999 108.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.08 132.82 17.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.114 -0.991 . . . . 1.1699999999999999 110.113 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.66 127.11 34.4 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.732 -0.84 . . . . 1.8100000000000001 108.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.64 109.42 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.456 -0.778 . . . . 1.1299999999999999 109.352 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 2.8199999999999998 109.531 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.71 130.32 4.91 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.951 -1.26 . . . . 0.45000000000000001 109.951 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' C' ' 339' ' ' GLU . 1.3 tmt_? -73.85 -48.67 29.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -1.092 . . . . 3.0800000000000001 109.434 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.28 -41.54 79.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 2.54 109.202 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.533 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -55.68 -42.59 75.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.389 -0.82 . . . . 4.1100000000000003 109.897 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -54.54 -57.85 9.76 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.469 -0.769 . . . . 0.56999999999999995 110.162 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' C' ' 335' ' ' ARG . 44.7 mt-10 -50.49 -41.41 53.23 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.292 -0.88 . . . . 1.6599999999999999 110.043 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.3 47.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.174 -0.954 . . . . 1.29 110.677 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.91 -47.92 82.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.98 -1.075 . . . . 0.40000000000000002 109.098 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.69 -43.23 62.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.885 . . . . 3.8500000000000001 109.572 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.8 -43.78 97.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 1.78 109.959 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.42 -43.8 98.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.1699999999999999 109.486 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.87 -49.35 78.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.265 -0.897 . . . . 1.2 109.585 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.22 -40.77 98.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.885 . . . . 2.1200000000000001 110.048 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.14 25.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 110.029 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 1.1399999999999999 109.524 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.6 -34.1 73.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.171 -0.955 . . . . 2.0899999999999999 109.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.3 -50.32 68.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 1.3799999999999999 109.351 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.92 -46.02 89.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.33 -0.856 . . . . 2.6800000000000002 109.025 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -57.54 -38.03 74.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.838 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.3 109.866 -179.63 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.179 0.514 . . . . 1.6699999999999999 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -98.28 153.26 18.64 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.236 -0.915 . . . . 1.01 109.95 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.1 139.17 33.95 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.666 -0.864 . . . . 0.63 108.666 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -99.09 161.59 13.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.387 -0.821 . . . . 1.1299999999999999 108.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -148.04 132.84 17.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 110.159 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.75 127.15 34.46 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.672 -0.862 . . . . 1.3700000000000001 108.672 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.55 109.43 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.432 -0.792 . . . . 1.1499999999999999 109.367 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -74.6 152.12 39.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.8 . . . . 2.77 109.539 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.85 130.3 4.95 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.889 -1.284 . . . . 0.42999999999999999 109.889 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' D' ' 339' ' ' GLU . 1.3 tmt_? -73.89 -48.66 29.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -1.066 . . . . 3.1200000000000001 109.424 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.127 -0.983 . . . . 2.2200000000000002 109.212 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.525 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -55.58 -42.62 75.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.497 -0.752 . . . . 3.5 109.916 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -54.49 -57.91 9.53 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.543 -0.723 . . . . 0.5 110.113 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' D' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.36 53.55 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.36 -0.837 . . . . 1.6899999999999999 110.005 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.11 -53.16 49.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.069 -1.019 . . . . 1.1399999999999999 110.783 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.09 -47.77 83.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.051 -1.031 . . . . 0.32000000000000001 109.069 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.76 -43.31 62.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.363 -0.835 . . . . 2.96 109.511 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.62 -44.03 96.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 1.75 109.973 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.511 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.85 -49.42 77.8 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.22 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.72 98.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.873 . . . . 1.73 110.118 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.18 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 109.962 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 1.1100000000000001 109.49 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.33 -34.3 73.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 1.9099999999999999 109.498 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.19 -50.27 68.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 1.1699999999999999 109.389 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.02 -45.91 90.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.374 -0.829 . . . . 2.1499999999999999 109.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -57.62 -38.0 74.23 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.636 -0.665 . . . . 1.4399999999999999 109.852 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.58 71.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 1.3 109.86 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.3999999999999999 109.806 -179.657 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.252 0.549 . . . . 1.7 109.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -97.12 158.75 15.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.332 -0.855 . . . . 1.04 109.574 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.07 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.384 -0.823 . . . . 0.65000000000000002 109.112 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.68 150.07 29.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.14 -0.975 . . . . 1.1399999999999999 109.371 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -142.18 133.47 26.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 1.0900000000000001 109.634 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.15 131.83 34.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.974 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.54 114.48 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.477 -0.764 . . . . 1.1499999999999999 109.098 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.588 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.88 150.53 39.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.056 -0.72 . . . . 2.79 109.056 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 88.55 126.74 2.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.28 -1.128 . . . . 0.45000000000000001 110.28 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.509 ' CG ' HH11 ' A' ' 335' ' ' ARG . 1.2 ttt-85 -71.89 -52.21 18.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 3.1600000000000001 109.132 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.47 -37.07 72.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.366 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.27 -41.21 97.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.311 -0.868 . . . . 3.54 109.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.25 -50.64 70.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.5 109.673 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -52.12 -40.04 60.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 1.6599999999999999 109.985 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.39 -52.49 64.39 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.205 -0.935 . . . . 1.1499999999999999 110.191 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.63 -44.69 96.06 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.34000000000000002 108.931 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.6 -40.32 59.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.258 -0.901 . . . . 2.9399999999999999 109.299 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.14 -53.46 57.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.74 109.656 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.75 -38.05 80.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.93 . . . . 1.0700000000000001 108.542 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.09 -54.59 45.28 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.427 -0.796 . . . . 1.22 109.298 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.417 -0.802 . . . . 1.72 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.57 -55.01 38.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.621 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.9 -44.19 97.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.421 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.58 -36.04 77.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.481 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.92 -48.44 76.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 1.1499999999999999 109.529 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.83 -43.53 98.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 2.1400000000000001 109.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.8 -35.16 68.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.56 -0.713 . . . . 1.4299999999999999 109.529 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.93 80.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 1.3 109.932 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.185 -0.947 . . . . 1.4199999999999999 109.731 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.263 0.554 . . . . 1.6100000000000001 109.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -97.15 158.62 15.35 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.326 -0.858 . . . . 0.96999999999999997 109.617 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.99 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.344 -0.847 . . . . 0.59999999999999998 109.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -151.64 150.08 29.86 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.015 -1.053 . . . . 1.1000000000000001 109.359 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -142.17 133.53 26.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.394 -0.816 . . . . 1.1000000000000001 109.594 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.24 131.78 34.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.459 -0.775 . . . . 1.3600000000000001 108.983 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.44 114.48 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.467 -0.771 . . . . 1.1699999999999999 109.131 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.575 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.54 39.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.499 -0.751 . . . . 2.79 109.13 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 88.54 126.85 2.71 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.232 -1.147 . . . . 0.47999999999999998 110.232 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.2 ttt-85 -72.08 -52.12 18.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.463 -1.022 . . . . 3.2200000000000002 109.173 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.41 -37.15 72.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 2.21 109.402 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.27 -41.19 97.03 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.334 -0.854 . . . . 3.5499999999999998 109.179 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.26 -50.54 71.07 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.506 -0.746 . . . . 0.52000000000000002 109.772 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.404 -0.81 . . . . 1.6799999999999999 110.017 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.44 -52.55 64.08 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 1.1499999999999999 110.084 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.62 -44.76 95.96 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 108.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.47 -40.54 59.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.285 -0.884 . . . . 3.02 109.25 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -60.04 -53.47 57.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.75 109.676 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.77 -37.93 80.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 108.651 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.23 -54.55 45.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.78 . . . . 1.21 109.288 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.463 -0.773 . . . . 1.6899999999999999 109.486 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.98 38.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 1.0600000000000001 109.597 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.9 -44.38 97.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.336 -0.853 . . . . 1.0800000000000001 109.419 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.42 -36.09 77.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.89 . . . . 1.9299999999999999 109.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.9 -48.42 76.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.923 . . . . 1.1399999999999999 109.548 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.79 -43.56 98.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.844 . . . . 2.1899999999999999 109.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.71 -35.3 68.36 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.508 -0.745 . . . . 1.4299999999999999 109.562 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 1.3100000000000001 109.903 -179.646 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.334 0.588 . . . . 2.1099999999999999 109.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -97.14 158.77 15.28 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.204 -0.935 . . . . 1.01 109.521 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.08 -171.14 2.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.371 -0.831 . . . . 0.57999999999999996 109.131 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.65 150.12 29.9 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.159 -0.963 . . . . 1.1599999999999999 109.354 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -142.25 133.48 26.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.395 -0.816 . . . . 1.1699999999999999 109.628 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.14 131.83 34.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.397 -0.814 . . . . 1.8100000000000001 109.041 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.47 114.38 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 109.111 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.83 150.61 39.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.504 -0.747 . . . . 2.8199999999999998 109.107 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 88.47 126.8 2.68 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.257 -1.137 . . . . 0.45000000000000001 110.257 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.511 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.2 ttt-85 -71.98 -52.14 18.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -1.026 . . . . 3.0800000000000001 109.23 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.45 -37.1 72.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 2.54 109.36 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.34 -41.1 96.95 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.296 -0.877 . . . . 4.1100000000000003 109.144 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.41 -50.51 71.39 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.482 -0.761 . . . . 0.56999999999999995 109.713 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.97 60.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 1.6599999999999999 110.037 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.42 -52.43 64.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.272 -0.892 . . . . 1.29 110.142 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.086 -1.009 . . . . 0.40000000000000002 108.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -51.47 -40.54 59.69 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.276 -0.89 . . . . 3.8500000000000001 109.283 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.99 -53.51 57.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 1.78 109.642 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.8 -37.95 80.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.245 -0.91 . . . . 1.1699999999999999 108.607 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.11 -54.58 45.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.435 -0.791 . . . . 1.2 109.386 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.54 -33.36 74.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.444 -0.785 . . . . 2.1200000000000001 109.566 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.9 39.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.878 . . . . 1.0700000000000001 109.677 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.95 -44.38 97.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 1.1399999999999999 109.413 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.35 -36.08 77.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.95 -48.38 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 1.3799999999999999 109.562 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.86 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.361 -0.837 . . . . 2.6800000000000002 109.013 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.74 -35.17 68.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.557 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 1.3 109.936 -179.622 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.245 0.545 . . . . 1.6699999999999999 109.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -97.13 158.81 15.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.312 -0.867 . . . . 1.01 109.564 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.18 -171.25 2.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.342 -0.849 . . . . 0.63 109.105 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.61 150.17 29.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.122 -0.986 . . . . 1.1299999999999999 109.333 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -142.21 133.4 26.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.346 -0.846 . . . . 1.1000000000000001 109.691 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -87.07 131.86 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.079 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.54 114.43 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 109.167 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.52 39.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.517 -0.739 . . . . 2.77 109.109 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 88.55 126.71 2.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.24 -1.144 . . . . 0.42999999999999999 110.24 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.516 ' CG ' HH11 ' D' ' 335' ' ' ARG . 1.2 ttt-85 -71.95 -52.12 18.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.438 -1.036 . . . . 3.1200000000000001 109.183 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.48 -37.08 72.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.37 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.35 -41.14 96.9 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.339 -0.851 . . . . 3.5 109.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.33 -50.45 71.43 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.541 -0.724 . . . . 0.5 109.705 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.29 -40.0 61.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.29 -52.56 64.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 110.17 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.67 -44.71 96.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.081 -1.012 . . . . 0.32000000000000001 108.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.48 -40.52 59.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.277 -0.89 . . . . 2.96 109.299 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.97 -53.58 56.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.75 109.667 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.72 -38.03 80.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 1.0800000000000001 108.543 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.06 -54.61 45.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 1.22 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -62.55 -33.52 75.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.382 -0.824 . . . . 1.73 109.458 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.95 39.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.315 -0.866 . . . . 1.0700000000000001 109.608 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.0 -44.15 97.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.1100000000000001 109.472 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.59 -36.08 77.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.45 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.84 -48.35 77.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.328 -0.858 . . . . 1.1699999999999999 109.597 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.86 -43.61 98.33 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -0.844 . . . . 2.1499999999999999 109.069 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.72 -35.22 68.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.612 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.11 81.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -0.88 . . . . 1.3 109.939 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.207 -0.933 . . . . 1.3999999999999999 109.744 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.262 0.553 . . . . 1.7 109.632 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.81 154.95 17.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.326 -0.859 . . . . 1.04 109.244 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -136.95 -172.33 3.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.323 -0.861 . . . . 0.65000000000000002 109.445 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -150.43 152.17 33.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.303 -0.999 . . . . 1.1399999999999999 108.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.0 133.88 22.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 1.0900000000000001 109.783 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.13 129.17 34.85 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.612 -0.884 . . . . 1.3700000000000001 108.612 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -123.59 110.61 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.472 -0.767 . . . . 1.1499999999999999 109.278 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.12 147.68 40.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.67 -0.644 . . . . 2.79 109.702 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.38 2.44 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.972 -1.251 . . . . 0.45000000000000001 109.972 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' A' ' 335' ' ' ARG . 9.7 ttm-85 -71.22 -43.08 68.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -1.106 . . . . 3.1600000000000001 109.258 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.347 -0.846 . . . . 2.2200000000000002 109.63 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.59 -39.79 95.29 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.2 -0.938 . . . . 3.54 109.56 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -54.44 -54.4 41.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.393 -0.817 . . . . 0.5 109.769 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.91 -40.62 61.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.687 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.28 -52.96 59.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 110.36 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.34000000000000002 109.15 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.94 -35.78 47.04 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.324 -0.86 . . . . 2.9399999999999999 109.448 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.54 -48.74 79.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.086 -1.009 . . . . 1.74 109.658 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.3 -37.4 80.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 108.664 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.12 -57.35 13.22 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 1.22 109.506 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -63.16 -35.48 80.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.409 -0.807 . . . . 1.72 109.568 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.35 48.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 1.0700000000000001 109.966 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.12 -44.28 97.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.134 -0.979 . . . . 1.0800000000000001 109.388 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.55 -35.86 75.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.347 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.02 -48.82 74.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 1.1499999999999999 109.344 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.51 -48.01 79.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.359 -0.838 . . . . 2.1400000000000001 108.985 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.95 -32.07 69.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.669 -0.644 . . . . 1.4299999999999999 109.571 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.26 77.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 1.3 109.979 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 1.4199999999999999 109.681 -179.716 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.3 0.571 . . . . 1.6100000000000001 109.583 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -93.77 154.93 17.5 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.282 -0.886 . . . . 0.96999999999999997 109.267 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -136.88 -172.27 3.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.59999999999999998 109.397 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.0 p -150.37 152.38 34.3 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.247 -1.02 . . . . 1.1000000000000001 108.247 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.12 133.67 22.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 1.1000000000000001 109.82 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.96 129.17 34.84 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.9 mt -123.67 110.64 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.507 -0.746 . . . . 1.1699999999999999 109.248 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.9 ttt-85 -75.13 147.61 40.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.618 -0.676 . . . . 2.79 109.695 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.24 124.45 2.46 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.992 -1.243 . . . . 0.47999999999999998 109.992 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG3' ' B' ' 335' ' ' ARG . 9.6 ttm-85 -71.36 -42.94 67.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -1.14 . . . . 3.2200000000000002 109.276 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.77 -45.78 89.0 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.331 -0.856 . . . . 2.21 109.566 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.55 -39.88 95.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.233 -0.917 . . . . 3.5499999999999998 109.525 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.4 -54.43 40.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.485 -0.76 . . . . 0.52000000000000002 109.75 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.89 -40.65 61.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.6799999999999999 109.734 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.27 -52.92 60.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 110.356 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.51 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.168 -0.957 . . . . 0.33000000000000002 109.135 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.93 -35.78 46.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 3.02 109.448 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.59 -48.84 79.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.75 109.609 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.25 -37.33 80.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 108.697 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.17 -57.34 13.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.506 -0.746 . . . . 1.21 109.478 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.22 -35.45 80.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.47 -0.769 . . . . 1.6899999999999999 109.565 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -54.43 47.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.375 -0.828 . . . . 1.0600000000000001 109.984 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.07 -44.23 97.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.0800000000000001 109.515 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.63 -35.75 74.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.233 -0.917 . . . . 1.9299999999999999 109.328 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.15 -48.88 74.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.271 -0.893 . . . . 1.1399999999999999 109.288 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.41 -47.91 80.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 108.983 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.99 -32.04 69.33 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.592 -0.693 . . . . 1.4299999999999999 109.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.858 . . . . 1.3100000000000001 109.939 -179.504 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.283 0.563 . . . . 2.1099999999999999 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -93.83 154.86 17.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.22 -0.925 . . . . 1.01 109.313 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -136.89 -172.32 3.15 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.57999999999999996 109.392 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -150.48 152.19 33.85 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.294 -1.002 . . . . 1.1599999999999999 108.294 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.3 tp -144.99 133.75 22.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 1.1699999999999999 109.813 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.99 129.2 34.84 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.62 -0.881 . . . . 1.8100000000000001 108.62 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.73 110.61 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-O 121.676 0.75 . . . . 1.1299999999999999 109.231 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -75.12 147.71 40.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.548 -0.72 . . . . 2.8199999999999998 109.745 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 124.38 2.42 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.982 -1.247 . . . . 0.45000000000000001 109.982 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.442 HH11 ' HG3' ' C' ' 335' ' ' ARG . 9.6 ttm-85 -71.27 -42.89 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -1.143 . . . . 3.0800000000000001 109.339 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.78 -45.8 88.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.367 -0.833 . . . . 2.54 109.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -63.61 -39.81 95.3 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.237 -0.915 . . . . 4.1100000000000003 109.47 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.46 -54.42 41.14 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.462 -0.774 . . . . 0.56999999999999995 109.742 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.89 -40.66 61.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 1.6599999999999999 109.723 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.26 -52.95 60.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.302 -0.874 . . . . 1.29 110.352 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.13 -53.78 52.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.005 . . . . 0.40000000000000002 109.117 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -52.05 -35.74 48.24 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.281 -0.887 . . . . 3.8500000000000001 109.391 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.61 -48.73 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.78 109.646 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.36 -37.27 80.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 108.666 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.19 -57.32 13.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.556 -0.715 . . . . 1.2 109.489 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -63.17 -35.48 80.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 2.1200000000000001 109.568 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.45 46.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 109.952 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.03 -44.29 97.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.195 -0.94 . . . . 1.1399999999999999 109.494 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.53 -35.83 74.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.0899999999999999 109.326 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.1 -48.9 74.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 1.3799999999999999 109.321 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.93 79.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 108.975 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.95 -32.05 69.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.678 -0.639 . . . . 1.3400000000000001 109.631 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.316 -0.865 . . . . 1.3 109.997 -179.52 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.206 0.527 . . . . 1.6699999999999999 109.644 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.81 155.01 17.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.311 -0.868 . . . . 1.01 109.269 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -137.03 -172.3 3.15 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.275 -0.89 . . . . 0.63 109.415 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 36.9 p -150.44 152.23 33.98 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.274 -1.01 . . . . 1.1299999999999999 108.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.08 133.76 22.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.115 -0.991 . . . . 1.1000000000000001 109.783 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.06 129.2 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 1.3700000000000001 108.611 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.65 110.68 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.488 -0.757 . . . . 1.1499999999999999 109.263 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.22 147.73 40.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.628 -0.67 . . . . 2.77 109.686 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.25 124.38 2.45 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.885 -1.286 . . . . 0.42999999999999999 109.885 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG3' ' D' ' 335' ' ' ARG . 9.7 ttm-85 -71.23 -42.94 68.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -1.196 . . . . 3.1200000000000001 109.332 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.76 -45.66 89.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 2.2200000000000002 109.619 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.7 -39.81 95.22 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.235 -0.916 . . . . 3.5 109.525 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.41 -54.37 41.65 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.447 -0.783 . . . . 0.5 109.779 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.97 -40.59 61.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.246 -0.909 . . . . 1.6899999999999999 109.715 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -63.4 -52.81 60.05 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.345 -0.847 . . . . 1.1399999999999999 110.306 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.24 -53.75 52.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.117 -0.989 . . . . 0.32000000000000001 109.169 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.96 -35.8 47.31 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.278 -0.889 . . . . 2.96 109.42 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -61.56 -48.73 79.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.156 -0.965 . . . . 1.75 109.649 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.32 -37.27 80.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 1.0800000000000001 108.724 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.13 -57.41 12.98 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 1.22 109.432 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.21 -35.47 80.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.375 -0.828 . . . . 1.73 109.539 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.39 47.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.859 . . . . 1.0700000000000001 109.939 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.17 -44.06 97.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.235 -0.915 . . . . 1.1100000000000001 109.538 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -35.9 75.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.9099999999999999 109.313 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.06 -48.94 74.27 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.291 -0.88 . . . . 1.1699999999999999 109.308 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.97 79.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.362 -0.836 . . . . 2.1499999999999999 108.959 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.88 -32.17 69.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.641 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.1 77.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 1.3 109.974 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.876 . . . . 1.3999999999999999 109.573 -179.672 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.458 -0.571 . . . . 1.7 109.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -93.82 158.46 15.65 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.287 -0.883 . . . . 1.04 109.644 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.83 -169.22 2.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.463 -0.773 . . . . 0.65000000000000002 109.286 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.86 149.93 29.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 1.1399999999999999 108.86 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -143.24 134.35 25.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.867 . . . . 1.0900000000000001 109.412 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.9 132.72 34.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.677 -0.861 . . . . 1.3700000000000001 108.677 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.12 113.71 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.464 -0.772 . . . . 1.1499999999999999 109.488 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -74.96 143.41 43.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 2.79 109.827 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.34 137.76 7.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.031 -1.227 . . . . 0.45000000000000001 110.031 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.495 HH11 ' CG ' ' A' ' 335' ' ' ARG . 1.3 ttt-85 -82.67 -44.69 15.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.395 -1.062 . . . . 3.1600000000000001 109.148 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.85 -43.01 85.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.343 -0.848 . . . . 2.2200000000000002 109.379 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.34 -40.62 97.81 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.28 -0.887 . . . . 3.54 109.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.92 -54.6 42.8 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.481 -0.762 . . . . 0.5 109.767 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.94 -38.74 57.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.818 . . . . 1.6599999999999999 109.855 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.56 -51.61 66.7 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 110.211 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.18 -43.82 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.34000000000000002 109.013 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -51.98 -42.7 63.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.218 -0.926 . . . . 2.9399999999999999 109.422 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.73 -53.32 59.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.887 . . . . 1.74 109.789 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.44 -35.59 76.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.121 -0.987 . . . . 1.0700000000000001 108.694 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.06 -55.62 32.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.401 -0.812 . . . . 1.22 109.45 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.306 -0.871 . . . . 1.72 109.609 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.69 64.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 110.021 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.129 -0.982 . . . . 1.0800000000000001 109.364 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.37 -35.68 74.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.211 -0.931 . . . . 1.9099999999999999 109.429 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.69 -51.28 65.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.372 -0.83 . . . . 1.1499999999999999 109.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.8 -46.06 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.811 . . . . 2.1400000000000001 109.181 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.68 -33.84 68.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.603 -0.686 . . . . 1.4299999999999999 109.706 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.97 84.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.87 . . . . 1.3 109.782 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 1.4199999999999999 109.667 -179.754 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.298 0.57 . . . . 1.6100000000000001 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.84 158.28 15.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.223 -0.923 . . . . 0.96999999999999997 109.791 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.65 -169.14 2.4 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.59999999999999998 109.318 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.85 150.05 29.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 1.1000000000000001 108.793 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -143.25 134.38 25.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.267 -0.896 . . . . 1.1000000000000001 109.414 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.89 132.74 34.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.2 113.7 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.493 -0.754 . . . . 1.1699999999999999 109.383 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.12 143.39 43.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 2.79 109.789 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.38 137.85 7.1 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.048 -1.221 . . . . 0.47999999999999998 110.048 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.489 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.4 ttt-85 -82.67 -44.74 15.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -1.035 . . . . 3.2200000000000002 109.2 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.87 -43.13 85.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 2.21 109.28 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.19 -40.63 98.06 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.293 -0.879 . . . . 3.5499999999999998 109.409 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -55.93 -54.59 42.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.445 -0.784 . . . . 0.52000000000000002 109.762 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.95 -38.7 57.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 1.6799999999999999 109.806 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.57 -51.7 66.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 110.093 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.17 -43.8 98.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.106 -0.996 . . . . 0.33000000000000002 109.053 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.95 -42.69 63.07 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.259 -0.901 . . . . 3.02 109.442 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.72 -53.31 59.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.75 109.793 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.48 -35.49 76.02 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 108.749 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.17 -55.59 33.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.425 -0.797 . . . . 1.21 109.411 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.8 -33.01 74.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.36 -0.838 . . . . 1.6899999999999999 109.624 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.73 64.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 1.0600000000000001 110.008 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.38 -44.74 96.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 1.0800000000000001 109.395 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -59.31 -35.75 74.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.9299999999999999 109.415 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.63 -51.38 65.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 1.1399999999999999 109.181 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.68 -46.11 91.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.442 -0.786 . . . . 2.1899999999999999 109.137 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.67 -33.81 68.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.678 -0.639 . . . . 1.4299999999999999 109.695 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.9 . . . . 1.3100000000000001 109.788 -179.618 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.507 -0.553 . . . . 2.1099999999999999 109.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -93.75 158.36 15.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.325 -0.86 . . . . 1.01 109.723 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -136.74 -169.16 2.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.57999999999999996 109.311 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.91 150.05 29.62 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -0.903 . . . . 1.1599999999999999 108.761 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -143.3 134.38 25.67 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 109.384 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 132.77 34.0 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.604 -0.888 . . . . 1.8100000000000001 108.604 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.13 113.65 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.493 -0.755 . . . . 1.1299999999999999 109.489 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.07 143.42 43.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 2.8199999999999998 109.75 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.86 7.04 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.037 -1.225 . . . . 0.45000000000000001 110.037 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.503 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.4 ttt-85 -82.73 -44.75 15.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.406 -1.055 . . . . 3.0800000000000001 109.168 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.76 -43.15 85.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.54 109.338 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.31 -40.65 97.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.229 -0.92 . . . . 4.1100000000000003 109.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.81 -54.63 42.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.46 -0.775 . . . . 0.56999999999999995 109.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.97 -38.58 57.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.295 -0.878 . . . . 1.6599999999999999 109.866 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttp -62.67 -51.61 66.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.279 -0.888 . . . . 1.29 110.154 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -43.72 98.43 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.15 -0.969 . . . . 0.40000000000000002 109.028 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.07 -42.66 63.34 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.228 -0.92 . . . . 3.8500000000000001 109.439 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.77 -53.26 60.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 1.78 109.744 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.44 -35.6 76.22 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 108.722 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.08 -55.63 32.64 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.409 -0.807 . . . . 1.2 109.387 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 2.1200000000000001 109.621 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -52.74 64.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 1.0700000000000001 109.975 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.8 mt -61.49 -44.7 96.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 1.1399999999999999 109.334 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.29 -35.81 74.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 2.0899999999999999 109.348 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.65 -51.31 65.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 1.3799999999999999 109.134 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.83 -46.02 91.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.31 -0.869 . . . . 2.6800000000000002 109.139 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.71 -33.78 68.78 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.603 -0.686 . . . . 1.3400000000000001 109.742 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 1.3 109.78 -179.695 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.474 -0.565 . . . . 1.6699999999999999 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -93.63 158.41 15.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.283 -0.886 . . . . 1.01 109.803 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -136.79 -169.14 2.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.393 -0.817 . . . . 0.63 109.336 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.99 149.86 29.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.259 -0.901 . . . . 1.1299999999999999 108.748 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -143.13 134.43 26.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.874 . . . . 1.1000000000000001 109.479 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -86.04 132.75 33.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.12 113.68 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.474 -0.766 . . . . 1.1499999999999999 109.452 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.01 143.38 43.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 2.77 109.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.35 137.77 7.04 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.026 -1.23 . . . . 0.42999999999999999 110.026 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.501 HH11 ' CG ' ' D' ' 335' ' ' ARG . 1.4 ttt-85 -82.56 -44.83 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.447 -1.031 . . . . 3.1200000000000001 109.153 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.82 -43.04 85.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -0.849 . . . . 2.2200000000000002 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.37 -40.59 97.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.301 -0.874 . . . . 3.5 109.336 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -55.93 -54.61 42.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.747 . . . . 0.5 109.835 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.81 -38.77 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 109.903 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.55 -51.69 66.39 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 110.141 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.15 -43.81 98.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.1 -1.0 . . . . 0.32000000000000001 108.96 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.0 -42.6 63.12 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.28 -0.888 . . . . 2.96 109.538 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.83 -53.24 60.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 1.75 109.804 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.48 -35.55 76.18 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.243 -0.911 . . . . 1.0800000000000001 108.735 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.02 -55.68 32.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.386 -0.821 . . . . 1.22 109.453 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.79 -33.0 74.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 1.73 109.681 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -52.6 64.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 110.001 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 1.1100000000000001 109.347 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.31 -35.73 74.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -0.887 . . . . 1.9099999999999999 109.381 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.68 -51.41 65.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.407 -0.808 . . . . 1.1699999999999999 109.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.74 -46.01 91.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.346 -0.846 . . . . 2.1499999999999999 109.179 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.61 -33.98 68.79 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.75 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.0 85.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 1.3 109.783 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.149 -0.969 . . . . 1.3999999999999999 109.707 -179.746 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.262 0.553 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.13 147.99 22.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.222 -0.924 . . . . 1.04 109.351 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -136.05 -172.95 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.349 -0.844 . . . . 0.65000000000000002 109.513 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.6 p -150.29 148.47 28.9 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 1.1399999999999999 108.759 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.74 136.08 33.79 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.319 -0.863 . . . . 1.0900000000000001 109.761 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.436 HE22 ' N ' ' A' ' 333' ' ' ARG . 8.3 tm0? -85.75 127.65 34.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.654 -0.869 . . . . 1.3700000000000001 108.654 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.86 111.48 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.478 -0.764 . . . . 1.1499999999999999 109.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.436 ' N ' HE22 ' A' ' 331' ' ' GLN . 59.6 ttt180 -73.84 151.95 40.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.727 . . . . 2.79 109.618 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.93 127.06 1.93 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.761 -1.336 . . . . 0.45000000000000001 109.761 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.57 -36.45 44.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.278 -1.13 . . . . 3.1600000000000001 109.24 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.18 -50.64 72.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 2.2200000000000002 109.483 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.445 ' HG3' HH11 ' A' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.3 87.15 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.215 -0.928 . . . . 3.54 109.75 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -50.99 -53.46 33.0 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.296 -0.878 . . . . 0.5 109.172 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -55.47 -37.13 67.38 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.403 -0.81 . . . . 1.6599999999999999 109.246 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.39 -52.92 59.62 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.1499999999999999 110.411 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.108 -0.995 . . . . 0.34000000000000002 109.286 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.27 -42.52 61.15 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.14 -0.975 . . . . 2.9399999999999999 109.56 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.7 -44.74 93.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.276 -0.89 . . . . 1.74 110.133 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.49 -42.6 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.049 -1.032 . . . . 1.0700000000000001 109.394 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.59 -49.04 78.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.907 . . . . 1.22 109.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.16 -40.81 98.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.72 110.278 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.9 -59.01 5.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 1.0700000000000001 110.154 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.8 -40.16 91.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.278 -0.889 . . . . 1.0800000000000001 109.475 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -61.01 -36.84 80.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 1.9099999999999999 108.959 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.01 -47.82 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 1.1499999999999999 108.981 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.24 66.29 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.868 0.842 . . . . 2.1400000000000001 109.058 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.71 -32.69 63.54 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.807 -0.558 . . . . 1.4299999999999999 109.823 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.94 79.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.153 -0.967 . . . . 1.3 109.599 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 1.4199999999999999 109.669 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.247 0.546 . . . . 1.6100000000000001 109.572 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -94.03 147.91 22.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.287 -0.883 . . . . 0.96999999999999997 109.484 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.408 ' H ' HE21 ' D' ' 331' ' ' GLN . 81.6 m-85 -136.0 -172.94 3.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.249 -0.907 . . . . 0.59999999999999998 109.478 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -150.34 148.37 28.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.301 -0.875 . . . . 1.1000000000000001 108.769 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.69 136.02 33.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.74 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.441 HE22 ' N ' ' B' ' 333' ' ' ARG . 8.3 tm0? -85.67 127.62 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.79 111.41 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.457 -0.777 . . . . 1.1699999999999999 109.227 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.441 ' N ' HE22 ' B' ' 331' ' ' GLN . 59.5 ttt180 -73.8 151.92 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.478 -0.764 . . . . 2.79 109.65 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.96 127.22 1.96 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.772 -1.331 . . . . 0.47999999999999998 109.772 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.79 -36.46 42.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -1.161 . . . . 3.2200000000000002 109.178 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.12 -50.71 72.63 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.261 -0.899 . . . . 2.21 109.449 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.445 HH11 ' HG3' ' B' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.283 -0.886 . . . . 3.5499999999999998 109.779 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -51.13 -53.3 35.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.373 -0.83 . . . . 0.52000000000000002 109.198 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.51 -37.18 67.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.331 -0.856 . . . . 1.6799999999999999 109.173 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.36 -52.85 60.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.547 -0.721 . . . . 1.1499999999999999 110.427 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.89 -45.89 91.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.088 -1.008 . . . . 0.33000000000000002 109.21 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.21 -42.57 61.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.268 -0.895 . . . . 3.02 109.613 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.55 -44.8 93.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 1.75 110.23 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.54 -42.56 96.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.0700000000000001 109.446 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -58.47 -49.18 78.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.21 109.649 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.99 -40.92 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.314 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.96 6.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 1.0600000000000001 110.133 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.86 -40.17 91.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.315 -0.866 . . . . 1.0800000000000001 109.434 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.93 -36.86 80.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.064 -1.023 . . . . 1.9299999999999999 109.05 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.03 -47.89 81.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.1399999999999999 108.987 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.49 -51.3 66.18 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.861 0.839 . . . . 2.1899999999999999 108.978 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -55.78 -32.61 63.62 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.762 -0.586 . . . . 1.4299999999999999 109.748 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 1.3100000000000001 109.563 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.252 0.549 . . . . 2.1099999999999999 109.573 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -94.08 147.9 22.69 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.273 -0.892 . . . . 1.01 109.431 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -135.98 -172.91 3.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.358 -0.839 . . . . 0.57999999999999996 109.541 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -150.31 148.48 28.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.235 -0.915 . . . . 1.1599999999999999 108.773 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.1 tp -139.75 136.05 33.73 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.379 -0.826 . . . . 1.1699999999999999 109.774 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.426 HE22 ' N ' ' C' ' 333' ' ' ARG . 8.4 tm0? -85.65 127.68 34.56 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.692 -0.855 . . . . 1.8100000000000001 108.692 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 111.34 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.513 -0.742 . . . . 1.1299999999999999 109.217 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.426 ' N ' HE22 ' C' ' 331' ' ' GLN . 59.4 ttt180 -73.69 151.96 40.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.546 -0.721 . . . . 2.8199999999999998 109.571 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.85 127.12 1.91 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.761 -1.336 . . . . 0.45000000000000001 109.761 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.64 -36.5 43.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.246 -1.15 . . . . 3.0800000000000001 109.239 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.18 -50.64 72.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.228 -0.92 . . . . 2.54 109.439 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' C' ' 337' ' ' ARG . 23.3 ttm-85 -64.87 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.243 -0.911 . . . . 4.1100000000000003 109.747 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.43 33.2 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.56999999999999995 109.228 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -55.46 -37.18 67.41 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.227 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.32 -52.9 60.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.402 -0.811 . . . . 1.29 110.448 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.87 -45.87 91.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.089 -1.007 . . . . 0.40000000000000002 109.244 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.18 -42.59 60.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.169 -0.957 . . . . 3.8500000000000001 109.632 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.59 -44.79 93.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.311 -0.868 . . . . 1.78 110.161 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.56 -42.6 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.955 . . . . 1.1699999999999999 109.335 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.14 78.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.226 -0.921 . . . . 1.2 109.638 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.05 -40.78 98.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.374 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -59.04 5.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 1.0700000000000001 110.158 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.82 -40.12 91.59 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.328 -0.858 . . . . 1.1399999999999999 109.476 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -60.93 -36.89 80.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.014 -1.054 . . . . 2.0899999999999999 109.009 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.9 81.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.348 -0.845 . . . . 1.3799999999999999 108.929 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.53 -51.24 66.33 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.784 0.802 . . . . 2.6800000000000002 108.957 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -55.8 -32.62 63.67 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.84 -0.538 . . . . 1.3400000000000001 109.831 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 1.3 109.58 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.234 0.54 . . . . 1.6699999999999999 109.549 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.05 147.95 22.64 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.916 . . . . 1.01 109.468 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.406 ' H ' HE21 ' B' ' 331' ' ' GLN . 81.4 m-85 -136.02 -173.01 3.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.289 -0.882 . . . . 0.63 109.549 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -150.34 148.39 28.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.863 . . . . 1.1299999999999999 108.782 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.68 136.21 34.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 1.1000000000000001 109.671 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.424 HE22 ' N ' ' D' ' 333' ' ' ARG . 8.4 tm0? -85.78 127.64 34.6 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.2 mt -123.81 111.43 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.513 -0.742 . . . . 1.1499999999999999 109.225 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.424 ' N ' HE22 ' D' ' 331' ' ' GLN . 59.5 ttt180 -73.81 151.99 40.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 2.77 109.622 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 127.17 1.92 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.801 -1.32 . . . . 0.42999999999999999 109.801 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.66 -36.54 43.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -1.136 . . . . 3.1200000000000001 109.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.15 -50.63 72.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.247 -0.908 . . . . 2.2200000000000002 109.468 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' D' ' 337' ' ' ARG . 23.1 ttm-85 -64.84 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.275 -0.89 . . . . 3.5 109.794 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.4 33.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.427 -0.796 . . . . 0.5 109.287 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.47 -37.1 67.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.296 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.37 -52.91 59.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.395 -0.816 . . . . 1.1399999999999999 110.435 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.093 -1.004 . . . . 0.32000000000000001 109.312 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.54 61.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.146 -0.971 . . . . 2.96 109.631 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.71 -44.7 93.6 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 1.75 110.142 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.55 -42.55 96.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 1.0800000000000001 109.408 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.17 78.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.3 -0.875 . . . . 1.22 109.625 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.04 -40.86 98.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 1.73 110.345 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.14 5.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 1.0700000000000001 110.091 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.69 -40.21 91.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 1.1100000000000001 109.511 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -61.02 -36.79 80.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.108 -0.995 . . . . 1.9099999999999999 109.029 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.83 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 1.1699999999999999 108.981 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.35 65.83 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.86 0.838 . . . . 2.1499999999999999 108.973 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.69 -32.63 63.45 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.774 -0.579 . . . . 1.4399999999999999 109.843 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.98 79.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 1.3 109.547 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.898 . . . . 1.3999999999999999 109.639 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.315 0.579 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.09 157.78 16.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.28 -0.887 . . . . 1.04 109.39 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.05 -171.67 3.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.381 -0.825 . . . . 0.65000000000000002 109.241 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -152.01 147.16 26.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 108.783 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.59 132.77 26.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 1.0900000000000001 109.65 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.0 130.76 34.57 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.591 -0.892 . . . . 1.3700000000000001 108.591 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.51 116.73 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.546 -0.721 . . . . 1.1499999999999999 109.51 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.34 149.82 40.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.679 -0.638 . . . . 2.79 109.645 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.4 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.136 -1.185 . . . . 0.45000000000000001 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -84.27 -45.66 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -1.125 . . . . 3.1600000000000001 109.327 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.9 -42.16 84.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 2.2200000000000002 109.078 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.59 -43.81 97.88 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.227 -0.921 . . . . 3.54 108.974 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.66 -53.7 53.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.635 -0.665 . . . . 0.5 109.692 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.89 -39.66 59.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.384 -0.823 . . . . 1.6599999999999999 110.062 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.63 -49.81 73.71 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.222 -0.924 . . . . 1.1499999999999999 110.252 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.0 -41.49 96.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 0.34000000000000002 109.112 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.09 -44.04 64.19 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.24 -0.912 . . . . 2.9399999999999999 109.651 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.21 -53.59 55.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 1.74 109.937 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.87 -37.74 80.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.124 -0.985 . . . . 1.0700000000000001 108.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.416 ' O ' ' OE1' ' A' ' 349' ' ' GLU . 22.7 t-20 -59.76 -56.91 15.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.364 -0.835 . . . . 1.22 109.568 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.86 71.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 1.72 110.125 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.37 86.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 1.0700000000000001 109.856 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.93 -51.01 68.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 1.0800000000000001 109.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 345' ' ' ASN . 2.8 mp0 -57.06 -34.13 67.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 1.9099999999999999 109.558 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.21 -46.77 85.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.125 -0.984 . . . . 1.1499999999999999 108.945 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.61 -52.3 61.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.375 -0.828 . . . . 2.1400000000000001 108.944 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.05 -30.94 66.56 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.638 -0.664 . . . . 1.4299999999999999 109.61 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.14 84.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.197 -0.939 . . . . 1.3 110.008 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.165 -0.959 . . . . 1.4199999999999999 109.852 -179.701 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.275 0.56 . . . . 1.6100000000000001 109.574 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.13 157.74 16.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.96999999999999997 109.386 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.55 2.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -0.801 . . . . 0.59999999999999998 109.212 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.1 147.51 26.55 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.287 -0.883 . . . . 1.1000000000000001 108.742 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.93 132.68 25.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 1.1000000000000001 109.642 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -85.09 130.81 34.55 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.493 -0.928 . . . . 1.3600000000000001 108.493 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.4 mt -123.62 116.65 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.459 -0.776 . . . . 1.1699999999999999 109.456 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.25 149.8 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.596 -0.69 . . . . 2.79 109.711 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.39 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.124 -1.19 . . . . 0.47999999999999998 110.124 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -84.25 -45.63 12.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -1.086 . . . . 3.2200000000000002 109.35 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.04 -41.99 84.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 2.21 109.031 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.67 -43.86 97.74 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.33 -0.856 . . . . 3.5499999999999998 108.939 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.66 -53.73 52.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.61 -0.681 . . . . 0.52000000000000002 109.652 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.76 59.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 1.6799999999999999 110.038 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.5 ttp -62.61 -49.78 73.85 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.216 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -41.53 96.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.133 -0.979 . . . . 0.33000000000000002 109.134 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.18 -43.89 64.37 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.19 -0.944 . . . . 3.02 109.718 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.21 -53.66 55.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 1.75 109.903 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.19 -0.943 . . . . 1.0700000000000001 108.82 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' B' ' 349' ' ' GLU . 22.6 t-20 -59.82 -56.87 16.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.43 -0.794 . . . . 1.21 109.522 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.42 -31.84 71.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.307 -0.871 . . . . 1.6899999999999999 110.031 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.37 87.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 109.915 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.91 -51.17 67.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 1.0800000000000001 109.817 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 345' ' ' ASN . 2.8 mp0 -56.81 -34.22 67.48 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.079 -1.013 . . . . 1.9299999999999999 109.586 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.29 -46.7 85.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.021 -1.049 . . . . 1.1399999999999999 108.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.69 -52.16 61.87 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.426 -0.796 . . . . 2.1899999999999999 108.991 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.04 -31.04 66.64 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.71 -0.619 . . . . 1.4299999999999999 109.604 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.3100000000000001 110.002 -179.516 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.296 0.57 . . . . 2.1099999999999999 109.567 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.06 157.7 16.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -0.889 . . . . 1.01 109.414 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.04 -171.69 3.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.448 -0.782 . . . . 0.57999999999999996 109.233 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.95 147.36 26.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.306 -0.871 . . . . 1.1599999999999999 108.738 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.77 132.69 25.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.338 -0.852 . . . . 1.1699999999999999 109.657 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -84.93 130.79 34.58 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.566 -0.901 . . . . 1.8100000000000001 108.566 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.5 mt -123.59 116.7 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.461 -0.774 . . . . 1.1299999999999999 109.451 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.3 149.89 40.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.577 -0.702 . . . . 2.8199999999999998 109.691 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 138.36 2.87 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.184 -1.166 . . . . 0.45000000000000001 110.184 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -84.27 -45.63 12.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.421 -1.047 . . . . 3.0800000000000001 109.36 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.99 -42.17 84.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 2.54 109.034 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.62 -43.8 97.9 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.37 -0.831 . . . . 4.1100000000000003 108.899 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.63 -53.72 52.97 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.627 -0.671 . . . . 0.56999999999999995 109.668 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.77 59.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.02 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.64 -49.78 73.83 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.164 -0.96 . . . . 1.29 110.233 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.04 -41.49 96.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.069 -1.019 . . . . 0.40000000000000002 109.081 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.1 -44.02 64.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 3.8500000000000001 109.685 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.05 -53.72 54.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 1.78 109.918 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.83 -37.77 80.15 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.16 -0.962 . . . . 1.1699999999999999 108.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' C' ' 349' ' ' GLU . 22.7 t-20 -59.77 -56.88 16.36 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.392 -0.818 . . . . 1.2 109.54 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.81 71.74 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 2.1200000000000001 110.078 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.43 86.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.889 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.85 -51.24 67.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 1.1399999999999999 109.824 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' C' ' 345' ' ' ASN . 2.8 mp0 -56.84 -34.17 67.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 2.0899999999999999 109.537 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.33 -46.73 85.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.066 -1.021 . . . . 1.3799999999999999 108.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.55 -52.28 61.8 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.438 -0.788 . . . . 2.6800000000000002 109.018 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.91 -31.06 66.41 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.693 -0.629 . . . . 1.3400000000000001 109.633 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.219 -0.926 . . . . 1.3 109.988 -179.412 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.218 0.533 . . . . 1.6699999999999999 109.608 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.01 157.69 16.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 1.01 109.383 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.6 2.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.63 109.244 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -152.02 147.51 26.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.271 -0.893 . . . . 1.1299999999999999 108.799 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.9 tp -141.88 132.76 25.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.326 -0.859 . . . . 1.1000000000000001 109.651 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.12 130.78 34.55 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.493 -0.928 . . . . 1.3700000000000001 108.493 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.64 116.7 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.472 -0.768 . . . . 1.1499999999999999 109.448 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.33 149.79 40.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.66 -0.65 . . . . 2.77 109.714 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 138.47 2.92 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.147 -1.181 . . . . 0.42999999999999999 110.147 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -84.19 -45.74 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -1.097 . . . . 3.1200000000000001 109.351 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.87 -42.17 83.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.63 -43.84 97.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 3.5 108.882 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.72 -53.7 53.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.645 -0.659 . . . . 0.5 109.605 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.84 -39.78 59.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.86 . . . . 1.6899999999999999 110.02 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 110.167 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.0 -41.43 96.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.971 . . . . 0.32000000000000001 109.124 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.14 -43.99 64.32 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.285 -0.884 . . . . 2.96 109.69 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.11 -53.71 54.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.192 -0.943 . . . . 1.75 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.87 -37.79 80.34 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 108.825 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' D' ' 349' ' ' GLU . 22.7 t-20 -59.78 -56.94 15.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.431 -0.793 . . . . 1.22 109.489 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.3 -31.93 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.73 110.088 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.47 86.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 109.938 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.89 -50.96 68.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.192 -0.943 . . . . 1.1100000000000001 109.902 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 345' ' ' ASN . 2.8 mp0 -57.11 -34.05 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 1.9099999999999999 109.547 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.24 -46.83 85.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.007 -1.058 . . . . 1.1699999999999999 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.62 -52.16 62.07 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.442 -0.786 . . . . 2.1499999999999999 108.984 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.06 -30.91 66.56 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.659 -0.651 . . . . 1.4399999999999999 109.637 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.1 83.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.312 -0.867 . . . . 1.3 109.983 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 1.3999999999999999 109.801 -179.691 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.286 0.565 . . . . 1.7 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.06 157.89 15.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.261 -0.9 . . . . 1.04 109.677 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.65000000000000002 109.122 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.8 p -96.01 160.63 14.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.28 -0.888 . . . . 1.1399999999999999 109.2 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.31 135.81 20.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 1.0900000000000001 110.105 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.7 130.34 34.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 1.3700000000000001 108.887 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.84 114.25 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 CA-C-O 121.576 0.703 . . . . 1.1499999999999999 109.436 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -76.26 146.29 39.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 2.79 110.008 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.68 6.97 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.537 -1.025 . . . . 0.45000000000000001 110.537 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.421 ' O ' ' OE2' ' A' ' 339' ' ' GLU . 27.6 ttm180 -85.2 -45.78 11.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.403 -1.057 . . . . 3.1600000000000001 109.31 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.6 80.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 2.2200000000000002 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.44 -0.787 . . . . 3.54 109.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -54.29 -59.48 4.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.378 -0.826 . . . . 0.5 110.341 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 335' ' ' ARG . 4.9 mp0 -51.56 -34.83 38.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.137 -0.977 . . . . 1.6599999999999999 110.021 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.53 -52.54 57.19 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 110.219 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.48 -45.22 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.34000000000000002 108.982 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.99 -43.94 60.78 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.376 -0.828 . . . . 2.9399999999999999 109.532 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.55 -48.21 82.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 1.74 109.941 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.51 -41.55 97.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.329 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.59 -51.0 71.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 1.22 109.538 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.14 -36.87 85.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.865 . . . . 1.72 109.708 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.09 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.898 . . . . 1.0700000000000001 109.928 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -48.0 82.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 1.0800000000000001 109.489 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.76 72.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.619 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.04 -50.38 68.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 1.1499999999999999 109.346 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.16 -47.32 80.3 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.407 -0.808 . . . . 2.1400000000000001 109.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.77 -35.28 72.52 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.593 -0.692 . . . . 1.4299999999999999 109.645 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -48.12 68.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 1.3 109.88 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.34 -0.85 . . . . 1.4199999999999999 109.983 -179.591 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.292 0.567 . . . . 1.6100000000000001 109.815 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -95.99 157.93 15.67 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.212 -0.93 . . . . 0.96999999999999997 109.703 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.27 139.15 33.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.362 -0.836 . . . . 0.59999999999999998 109.045 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -95.87 160.58 14.4 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.879 . . . . 1.1000000000000001 109.194 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.4 tp -148.3 135.86 20.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 1.1000000000000001 110.025 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.63 130.4 34.58 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.806 -0.813 . . . . 1.3600000000000001 108.806 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.8 mt -123.88 114.32 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 CA-C-O 121.539 0.685 . . . . 1.1699999999999999 109.448 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.27 146.3 39.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.561 -0.712 . . . . 2.79 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.58 6.9 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.579 -1.009 . . . . 0.47999999999999998 110.579 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' B' ' 339' ' ' GLU . 27.6 ttm180 -85.12 -45.81 11.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 3.2200000000000002 109.339 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.89 -42.59 80.11 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.088 -1.008 . . . . 2.21 109.236 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.09 -39.09 93.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.45 -0.781 . . . . 3.5499999999999998 109.892 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.45 -59.39 4.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.801 . . . . 0.52000000000000002 110.371 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 335' ' ' ARG . 4.9 mp0 -51.53 -34.91 38.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.112 -0.992 . . . . 1.6799999999999999 109.965 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.52 -52.56 57.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.246 -0.908 . . . . 1.1499999999999999 110.211 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.46 -45.2 95.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.134 -0.979 . . . . 0.33000000000000002 109.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.03 -43.91 60.98 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.393 -0.817 . . . . 3.02 109.547 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -60.49 -48.26 82.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 1.75 109.96 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.51 -41.53 97.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.95 . . . . 1.0700000000000001 109.311 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -51.07 71.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 1.21 109.424 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.05 -36.82 84.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 1.6899999999999999 109.712 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.05 79.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 1.0600000000000001 109.876 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.83 -47.99 82.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 1.0800000000000001 109.51 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.81 72.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.229 -0.92 . . . . 1.9299999999999999 109.602 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.04 -50.44 68.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 1.1399999999999999 109.339 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.34 80.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.441 -0.787 . . . . 2.1899999999999999 109.097 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.8 -35.11 72.31 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.771 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 1.3100000000000001 109.903 -179.654 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.31 0.576 . . . . 2.1099999999999999 109.811 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.98 157.96 15.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.181 -0.949 . . . . 1.01 109.607 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.25 139.29 33.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 109.086 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -95.93 160.7 14.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.268 -0.895 . . . . 1.1599999999999999 109.189 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.4 135.78 20.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 1.1699999999999999 110.061 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.65 130.4 34.58 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.799 -0.815 . . . . 1.8100000000000001 108.799 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.9 114.21 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.516 -0.74 . . . . 1.1299999999999999 109.416 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.2 146.27 39.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.699 . . . . 2.8199999999999998 110.094 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 140.62 6.94 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.561 -1.015 . . . . 0.45000000000000001 110.561 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' C' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.74 11.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.46 -1.024 . . . . 3.0800000000000001 109.352 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.59 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 2.54 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.16 -39.05 93.54 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.473 -0.767 . . . . 4.1100000000000003 109.836 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -54.37 -59.53 4.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.56999999999999995 110.334 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' C' ' 335' ' ' ARG . 4.9 mp0 -51.48 -34.92 37.73 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.209 -0.932 . . . . 1.6599999999999999 109.99 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.49 -52.54 57.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.253 -0.904 . . . . 1.29 110.224 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -45.18 95.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.003 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -50.99 -43.91 60.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.854 . . . . 3.8500000000000001 109.606 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.52 -48.19 82.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 1.78 109.976 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.56 -41.56 97.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 1.1699999999999999 109.311 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -50.92 72.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 1.2 109.512 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -63.2 -36.88 85.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 2.1200000000000001 109.669 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.99 79.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.223 -0.923 . . . . 1.0700000000000001 109.929 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -47.99 82.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -0.983 . . . . 1.1399999999999999 109.491 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.23 -34.79 72.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.915 . . . . 2.0899999999999999 109.572 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.02 -50.37 68.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.322 -0.861 . . . . 1.3799999999999999 109.391 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.29 80.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.337 -0.852 . . . . 2.6800000000000002 109.142 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.81 -35.22 72.51 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.524 -0.735 . . . . 1.3400000000000001 109.728 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.3 109.867 -179.539 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.242 0.544 . . . . 1.6699999999999999 109.843 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -95.95 157.97 15.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.311 -0.868 . . . . 1.01 109.64 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.2 139.36 33.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.365 -0.835 . . . . 0.63 109.06 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 63.7 p -95.99 160.73 14.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.175 -0.953 . . . . 1.1299999999999999 109.179 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.3 tp -148.47 135.78 20.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.129 -0.982 . . . . 1.1000000000000001 110.034 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.64 130.45 34.57 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.783 -0.821 . . . . 1.3700000000000001 108.783 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.92 114.26 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.494 -0.754 . . . . 1.1499999999999999 109.412 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.19 146.25 39.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.511 -0.743 . . . . 2.77 110.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.58 6.93 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.57 -1.012 . . . . 0.42999999999999999 110.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.41 ' O ' ' OE2' ' D' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.8 11.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -1.065 . . . . 3.1200000000000001 109.3 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.87 -42.67 80.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 2.2200000000000002 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -62.96 -39.28 94.19 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.434 -0.791 . . . . 3.5 109.831 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -54.3 -59.45 4.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.429 -0.794 . . . . 0.5 110.377 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' D' ' 335' ' ' ARG . 4.9 mp0 -51.49 -34.9 37.84 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.126 -0.983 . . . . 1.6899999999999999 110.02 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.51 -52.6 56.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.11 -0.994 . . . . 1.1399999999999999 110.168 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -45.09 95.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.001 -1.062 . . . . 0.32000000000000001 109.024 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.13 -43.87 61.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.894 . . . . 2.96 109.547 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -60.54 -48.23 82.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 1.75 109.96 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.5 -41.58 97.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.18 -0.95 . . . . 1.0800000000000001 109.31 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.58 -50.97 71.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 1.22 109.544 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.15 -36.89 85.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.73 109.689 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.98 79.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 1.0700000000000001 109.968 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.97 -47.89 82.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 1.1100000000000001 109.506 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.22 -34.8 72.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.9099999999999999 109.612 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.8 tp -64.07 -50.35 68.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 109.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.1 -47.43 80.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.279 -0.888 . . . . 2.1499999999999999 109.118 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.74 -35.17 72.29 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.507 -0.745 . . . . 1.4399999999999999 109.762 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.04 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 1.3 109.935 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.918 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.336 0.589 . . . . 1.7 109.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -96.05 152.63 18.35 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 1.04 109.153 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -135.35 -172.72 3.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.275 -0.89 . . . . 0.65000000000000002 109.278 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.56 145.55 25.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.218 -0.926 . . . . 1.1399999999999999 108.952 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.2 tp -139.54 134.85 32.77 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.436 -0.79 . . . . 1.0900000000000001 109.77 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -86.36 132.75 33.89 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.882 -0.785 . . . . 1.3700000000000001 108.882 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.83 115.03 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.459 -0.775 . . . . 1.1499999999999999 109.344 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -75.09 152.44 38.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 2.79 110.024 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 144.19 5.27 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.395 -1.082 . . . . 0.45000000000000001 110.395 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -82.89 -47.81 11.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.507 -0.996 . . . . 3.1600000000000001 109.256 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.91 -41.24 77.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 108.537 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.545 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -47.22 82.66 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.331 -0.856 . . . . 3.54 109.463 179.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -56.0 -57.99 9.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.48 -0.763 . . . . 0.5 109.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -51.06 -38.71 53.24 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.459 -0.776 . . . . 1.6599999999999999 109.923 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.2 -53.63 46.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.128 -0.983 . . . . 1.1499999999999999 110.208 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.32 -45.33 94.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.06 -1.025 . . . . 0.34000000000000002 109.207 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.08 -41.91 60.26 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.366 -0.834 . . . . 2.9399999999999999 109.369 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.02 -54.83 41.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 1.74 109.921 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.96 -39.47 81.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 108.728 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.42 -53.8 53.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.37 -0.831 . . . . 1.22 109.428 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.99 -35.81 81.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 1.72 110.018 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.5 76.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 1.0700000000000001 109.881 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.07 -47.94 82.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 1.0800000000000001 109.378 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.27 -32.25 68.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 108.748 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 tt -64.35 -52.44 58.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.392 -0.817 . . . . 1.1499999999999999 108.824 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -60.34 -39.69 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.716 -0.846 . . . . 2.1400000000000001 108.716 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.36 -37.79 73.15 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.672 -0.642 . . . . 1.4299999999999999 109.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.06 85.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.213 -0.929 . . . . 1.3 109.649 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 1.4199999999999999 109.586 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.286 0.565 . . . . 1.6100000000000001 109.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -96.18 152.44 18.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.96999999999999997 109.155 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -135.22 -172.63 3.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.258 -0.901 . . . . 0.59999999999999998 109.307 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -151.6 145.42 25.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.333 -0.854 . . . . 1.1000000000000001 108.893 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -139.55 134.83 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.471 -0.768 . . . . 1.1000000000000001 109.713 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.38 132.76 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.921 -0.77 . . . . 1.3600000000000001 108.921 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.87 115.03 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.511 -0.743 . . . . 1.1699999999999999 109.278 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.93 152.52 38.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 2.79 109.949 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.99 143.89 5.19 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.374 -1.09 . . . . 0.47999999999999998 110.374 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -82.67 -47.67 11.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.54 -0.976 . . . . 3.2200000000000002 109.22 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.96 -41.57 78.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 2.21 108.521 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.538 HH11 ' HB2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -47.58 80.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.311 -0.868 . . . . 3.5499999999999998 109.504 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -55.52 -57.85 10.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.519 -0.738 . . . . 0.52000000000000002 109.5 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.27 -39.03 55.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.468 -0.77 . . . . 1.6799999999999999 109.886 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -63.62 -53.57 49.49 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 110.123 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.69 -45.39 94.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.092 -1.005 . . . . 0.33000000000000002 109.145 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.23 -41.39 60.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.339 -0.851 . . . . 3.02 109.289 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.28 -55.11 37.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.936 . . . . 1.75 109.897 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.86 -39.4 81.23 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 1.0700000000000001 108.739 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.16 -53.87 53.39 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.35 -0.843 . . . . 1.21 109.429 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.98 -36.06 82.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.6899999999999999 110.081 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.23 77.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.925 . . . . 1.0600000000000001 109.862 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.07 -47.88 82.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 1.0800000000000001 109.433 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -58.5 -32.48 68.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 1.9299999999999999 108.737 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.04 -52.05 61.25 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.735 -0.839 . . . . 1.1399999999999999 108.735 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -60.83 -39.86 90.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.323 -0.861 . . . . 2.1899999999999999 108.765 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -57.15 -38.12 73.05 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.609 -0.682 . . . . 1.4299999999999999 109.81 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.3100000000000001 109.706 -179.618 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.211 0.529 . . . . 2.1099999999999999 109.836 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -95.88 152.24 18.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.422 -0.799 . . . . 1.01 109.195 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.92 -172.15 2.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.275 -0.89 . . . . 0.57999999999999996 109.29 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -151.89 145.65 25.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 1.1599999999999999 108.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.4 tp -139.89 134.66 31.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.405 -0.809 . . . . 1.1699999999999999 109.692 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.59 33.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.02 -0.734 . . . . 1.8100000000000001 109.02 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.74 115.41 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 1.1299999999999999 109.299 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -75.23 153.06 38.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.448 -0.782 . . . . 2.8199999999999998 110.101 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.08 143.42 4.37 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.402 -1.079 . . . . 0.45000000000000001 110.402 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -82.08 -47.72 12.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.501 -0.999 . . . . 3.0800000000000001 109.223 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -56.79 -41.41 77.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.161 -0.962 . . . . 2.54 108.62 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.547 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.47 -47.82 80.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.359 -0.838 . . . . 4.1100000000000003 109.451 179.473 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -55.39 -57.72 10.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.549 -0.719 . . . . 0.56999999999999995 109.598 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.31 -38.94 55.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.86 -53.23 53.85 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.095 -1.003 . . . . 1.29 110.224 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.87 -45.03 95.53 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.107 -0.995 . . . . 0.40000000000000002 109.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.5 -41.21 60.81 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.306 -0.872 . . . . 3.8500000000000001 109.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.39 -55.04 38.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 1.78 109.947 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.0 -39.3 81.41 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.786 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.32 -53.59 56.46 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.412 -0.805 . . . . 1.2 109.428 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.25 -36.12 82.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 2.1200000000000001 110.023 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.34 77.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.195 -0.941 . . . . 1.0700000000000001 109.871 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.88 -47.66 83.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.149 -0.969 . . . . 1.1399999999999999 109.453 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -32.45 69.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.726 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.12 -51.95 61.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.74 -0.837 . . . . 1.3799999999999999 108.74 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.95 -39.68 90.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.324 -0.86 . . . . 2.6800000000000002 108.777 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.21 -37.96 73.0 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.566 -0.709 . . . . 1.3400000000000001 109.845 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.905 . . . . 1.3 109.735 -179.685 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.269 0.557 . . . . 1.6699999999999999 109.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -96.23 152.11 18.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.334 -0.854 . . . . 1.01 109.104 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -135.02 -172.6 3.09 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.304 -0.872 . . . . 0.63 109.241 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.69 145.49 25.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.3 -0.875 . . . . 1.1299999999999999 108.853 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.5 tp -139.37 134.73 32.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.436 -0.79 . . . . 1.1000000000000001 109.77 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.44 132.6 33.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.872 -0.788 . . . . 1.3700000000000001 108.872 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.83 115.48 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.562 -0.712 . . . . 1.1499999999999999 109.324 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -75.4 152.63 38.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 2.77 109.993 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.81 143.87 5.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.391 -1.084 . . . . 0.42999999999999999 110.391 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -82.73 -47.59 11.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.996 . . . . 3.1200000000000001 109.213 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.89 -41.67 78.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.485 -0.931 . . . . 2.2200000000000002 108.485 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.549 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -47.49 81.32 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.374 -0.829 . . . . 3.5 109.546 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.6 -57.64 11.11 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.586 -0.696 . . . . 0.5 109.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -51.41 -38.99 56.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 109.925 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -63.87 -53.08 56.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 1.1399999999999999 110.164 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.977 . . . . 0.32000000000000001 109.206 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.38 -41.4 60.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.218 -0.927 . . . . 2.96 109.375 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.24 -54.65 43.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 1.75 109.944 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.23 -39.42 82.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 1.0800000000000001 108.796 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.28 -53.97 52.14 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.461 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.94 -35.96 81.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 1.73 109.988 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.45 76.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.853 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.08 -47.81 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.143 -0.973 . . . . 1.1100000000000001 109.402 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.52 -32.43 68.83 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 108.801 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 tt -64.07 -52.14 60.72 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.755 -0.831 . . . . 1.1699999999999999 108.755 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.74 -39.72 89.7 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.69 -0.856 . . . . 2.1499999999999999 108.69 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -57.32 -37.62 72.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.807 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.21 85.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 1.3 109.715 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.371 -0.831 . . . . 1.3999999999999999 109.64 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.402 -0.592 . . . . 1.7 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 151.98 18.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.245 -0.909 . . . . 1.04 110.015 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.62 -168.54 2.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.443 -0.786 . . . . 0.65000000000000002 108.985 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.8 p -153.24 142.53 21.56 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.185 -0.947 . . . . 1.1399999999999999 109.247 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.12 137.0 40.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.557 -0.715 . . . . 1.0900000000000001 109.716 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.29 33.85 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.9 mt -123.45 113.56 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.352 -0.842 . . . . 1.1499999999999999 109.304 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.63 149.99 39.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.541 -0.724 . . . . 2.79 109.998 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.33 138.96 6.41 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.959 -1.256 . . . . 0.45000000000000001 109.959 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.92 -50.89 11.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -1.151 . . . . 3.1600000000000001 109.339 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.88 -38.81 76.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.159 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.536 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.5 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.393 -0.817 . . . . 3.54 109.311 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.3 -56.6 18.14 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.684 -0.635 . . . . 0.5 109.823 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 110.08 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.82 -51.3 65.34 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.2 -0.938 . . . . 1.1499999999999999 110.576 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.46 80.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.0 -1.062 . . . . 0.34000000000000002 109.566 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.45 -39.04 46.62 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.069 -1.019 . . . . 2.9399999999999999 109.371 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.58 -46.77 88.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.148 -0.97 . . . . 1.74 109.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.85 -49.16 77.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.215 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.28 -47.3 84.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.201 -0.937 . . . . 1.22 109.432 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.69 -38.45 87.87 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.327 -0.858 . . . . 1.72 109.444 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.27 -50.16 75.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.35 -0.844 . . . . 1.0700000000000001 109.577 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.25 -43.07 99.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 1.0800000000000001 109.369 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.83 -37.01 75.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 1.9099999999999999 109.256 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.63 -48.35 77.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 1.1499999999999999 109.181 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.48 -47.83 80.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 2.1400000000000001 109.029 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.57 -34.23 68.99 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.587 -0.696 . . . . 1.4299999999999999 109.482 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.98 83.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.858 . . . . 1.3 109.84 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 1.4199999999999999 109.616 -179.766 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.412 -0.588 . . . . 1.6100000000000001 109.412 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.9 151.87 18.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.305 -0.872 . . . . 0.96999999999999997 110.026 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.54 -168.56 2.12 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.453 -0.779 . . . . 0.59999999999999998 108.955 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.9 p -153.26 142.56 21.56 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.104 -0.997 . . . . 1.1000000000000001 109.153 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.9 tp -136.16 136.96 40.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.589 -0.694 . . . . 1.1000000000000001 109.715 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.84 132.28 33.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.882 -0.785 . . . . 1.3600000000000001 108.882 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.0 mt -123.48 113.55 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.517 -0.74 . . . . 1.1699999999999999 109.295 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 150.06 39.71 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.643 -0.661 . . . . 2.79 109.995 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.31 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.011 -1.235 . . . . 0.47999999999999998 110.011 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -78.02 -50.87 11.27 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -1.134 . . . . 3.2200000000000002 109.287 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.94 -38.83 76.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 2.21 109.136 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.535 HH11 ' HB2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -45.9 83.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 3.5499999999999998 109.394 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.35 -56.61 18.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.653 -0.655 . . . . 0.52000000000000002 109.804 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -51.55 -40.16 59.17 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.388 -0.82 . . . . 1.6799999999999999 110.159 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.83 -51.24 65.61 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.642 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.96 -48.47 80.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.044 -1.035 . . . . 0.33000000000000002 109.582 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.46 -39.06 46.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.087 -1.008 . . . . 3.02 109.419 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -61.55 -46.81 88.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.971 . . . . 1.75 109.56 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.82 -49.14 77.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.289 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.23 -47.36 83.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 1.21 109.425 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.57 -38.7 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.437 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.07 -50.07 75.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.326 -0.859 . . . . 1.0600000000000001 109.71 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.33 -43.0 99.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.328 -0.857 . . . . 1.0800000000000001 109.363 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.91 -36.98 75.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.208 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.7 -48.21 78.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.37 -0.831 . . . . 1.1399999999999999 109.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.59 -47.7 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 2.1899999999999999 109.02 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.78 -34.15 69.3 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.467 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 1.3100000000000001 109.895 -179.717 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.427 -0.583 . . . . 2.1099999999999999 109.427 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -94.87 152.02 18.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.174 -0.954 . . . . 1.01 110.032 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.72 -168.54 2.13 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.967 -0.753 . . . . 0.57999999999999996 108.967 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.1 p -153.29 142.21 21.19 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.165 -0.959 . . . . 1.1599999999999999 109.247 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -135.91 137.04 40.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.566 -0.709 . . . . 1.1699999999999999 109.709 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.88 132.31 33.85 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.833 -0.803 . . . . 1.8100000000000001 108.833 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.53 113.56 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.419 -0.8 . . . . 1.1299999999999999 109.176 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.67 150.06 39.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.647 -0.658 . . . . 2.8199999999999998 109.957 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.35 138.89 6.4 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.068 -1.213 . . . . 0.45000000000000001 110.068 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.9 -50.97 11.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -1.105 . . . . 3.0800000000000001 109.246 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.9 -38.76 76.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 2.54 109.087 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.539 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -45.93 83.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.374 -0.829 . . . . 4.1100000000000003 109.364 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.34 -56.63 17.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.647 -0.658 . . . . 0.56999999999999995 109.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 110.128 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.88 -51.24 65.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.189 -0.944 . . . . 1.29 110.612 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.0 -48.32 80.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.657 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.53 -39.05 47.89 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.088 -1.007 . . . . 3.8500000000000001 109.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.63 -46.74 88.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 1.78 109.489 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.9 -49.08 77.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.271 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.25 -47.36 83.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.264 -0.897 . . . . 1.2 109.431 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.63 -38.6 88.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.334 -0.854 . . . . 2.1200000000000001 109.405 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.29 74.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.0700000000000001 109.601 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.22 -43.02 99.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 1.1399999999999999 109.422 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.87 -36.91 75.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.279 -0.888 . . . . 2.0899999999999999 109.291 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.77 -48.32 77.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.384 -0.822 . . . . 1.3799999999999999 109.165 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.47 -47.81 80.26 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 2.6800000000000002 108.963 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.63 -34.35 69.22 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.587 -0.695 . . . . 1.3400000000000001 109.393 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 1.3 109.829 -179.678 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.428 -0.582 . . . . 1.6699999999999999 109.428 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 152.01 18.75 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.264 -0.897 . . . . 1.01 109.984 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.75 -168.57 2.14 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.901 -0.777 . . . . 0.63 108.901 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -153.27 142.47 21.45 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.132 -0.98 . . . . 1.1299999999999999 109.249 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.12 137.04 40.6 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -0.751 . . . . 1.1000000000000001 109.748 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.23 33.87 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.787 -0.82 . . . . 1.3700000000000001 108.787 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.43 113.63 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.451 -0.781 . . . . 1.1499999999999999 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.68 150.04 39.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.606 -0.684 . . . . 2.77 109.965 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.3 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.034 -1.227 . . . . 0.42999999999999999 110.034 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.94 -50.9 11.27 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 109.3 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.83 -38.84 76.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.125 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.537 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.353 -0.842 . . . . 3.5 109.33 179.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.34 -56.6 18.21 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.716 -0.615 . . . . 0.5 109.819 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -51.53 -40.16 59.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.363 -0.835 . . . . 1.6899999999999999 110.137 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -51.21 65.53 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.136 -0.978 . . . . 1.1399999999999999 110.575 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.51 80.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.157 -0.964 . . . . 0.32000000000000001 109.553 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.48 -39.0 46.94 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.13 -0.981 . . . . 2.96 109.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.66 -46.71 88.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.75 109.516 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.93 -49.08 77.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.263 -0.898 . . . . 1.0800000000000001 109.187 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -58.28 -47.36 83.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 1.22 109.378 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.58 -38.71 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.338 -0.851 . . . . 1.73 109.364 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.17 75.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0700000000000001 109.602 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.3 -43.0 99.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 1.1100000000000001 109.4 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.81 -36.97 75.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.9099999999999999 109.266 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.72 -48.31 77.57 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.1699999999999999 109.208 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.5 -47.68 80.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.331 -0.855 . . . . 2.1499999999999999 108.999 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.77 -34.23 69.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.433 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.85 82.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 1.3 109.884 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.231 -0.918 . . . . 1.3999999999999999 109.624 -179.781 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.263 0.554 . . . . 1.7 109.565 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.52 158.98 15.44 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.254 -0.904 . . . . 1.04 109.258 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.41 -173.64 3.66 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 0.65000000000000002 109.46 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -151.67 115.49 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.1399999999999999 108.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -101.18 136.65 40.69 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.504 -0.748 . . . . 1.0900000000000001 109.703 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -86.0 128.58 34.88 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.51 -0.922 . . . . 1.3700000000000001 108.51 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.16 115.91 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.739 0.781 . . . . 1.1499999999999999 109.723 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -75.23 147.6 40.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.196 -0.668 . . . . 2.79 109.196 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 145.67 13.25 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 109.799 -1.32 . . . . 0.45000000000000001 109.799 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.54 -51.48 7.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -1.116 . . . . 3.1600000000000001 109.525 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.47 -37.78 73.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 2.2200000000000002 109.232 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.505 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -48.23 79.02 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 3.54 109.545 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.92 -60.15 3.76 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.668 -0.645 . . . . 0.5 109.859 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.42 -38.75 44.74 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.507 -0.746 . . . . 1.6599999999999999 110.109 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.25 -51.49 63.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.005 -1.059 . . . . 1.1499999999999999 110.122 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.15 -45.88 91.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.105 -0.997 . . . . 0.34000000000000002 109.005 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.67 -42.31 45.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.17 -0.956 . . . . 2.9399999999999999 109.157 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.25 86.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 1.74 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.44 -47.67 85.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 1.0700000000000001 109.022 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.09 -48.33 80.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 1.22 109.485 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -61.64 -37.35 83.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.72 109.761 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.57 -56.18 25.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.315 -0.865 . . . . 1.0700000000000001 110.012 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.4 -39.81 92.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.238 -0.914 . . . . 1.0800000000000001 109.408 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -61.51 -39.61 91.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.554 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.27 -49.29 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.269 -0.894 . . . . 1.1499999999999999 108.994 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -64.34 -49.57 71.15 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.651 0.738 . . . . 2.1400000000000001 109.321 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -55.7 -34.29 64.96 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 120.3 -0.56 . . . . 1.4299999999999999 109.528 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -45.69 76.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 1.3 109.589 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.342 -0.849 . . . . 1.4199999999999999 109.468 -179.878 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.557 -0.534 . . . . 1.6100000000000001 109.557 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -93.37 159.16 15.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.31 -0.869 . . . . 0.96999999999999997 109.408 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.63 -173.61 3.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.59999999999999998 109.406 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.2 p -151.72 115.46 4.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -0.775 . . . . 1.1000000000000001 108.99 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.7 tp -101.12 136.68 40.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.666 . . . . 1.1000000000000001 109.784 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -86.16 128.53 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.384 -0.969 . . . . 1.3600000000000001 108.384 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.13 115.93 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 CA-C-O 121.754 0.788 . . . . 1.1699999999999999 109.723 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -75.16 147.41 40.47 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.266 -0.642 . . . . 2.79 109.266 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.04 145.84 13.92 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.811 -1.316 . . . . 0.47999999999999998 109.811 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.65 -51.54 7.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.319 -1.106 . . . . 3.2200000000000002 109.53 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -57.33 -37.98 73.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 2.21 109.243 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.51 HH11 ' HB2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.25 78.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.322 -0.861 . . . . 3.5499999999999998 109.475 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.98 -60.01 3.96 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.657 -0.652 . . . . 0.52000000000000002 109.756 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -50.55 -38.69 46.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.6799999999999999 110.059 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.27 -51.52 63.15 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.055 -1.028 . . . . 1.1499999999999999 110.122 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.16 -45.86 91.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.958 -1.089 . . . . 0.33000000000000002 108.987 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -49.62 -42.49 45.09 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.106 -0.996 . . . . 3.02 109.058 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.46 -47.11 86.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.45 -0.781 . . . . 1.75 109.521 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.63 -47.64 85.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 1.0700000000000001 109.003 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.07 -48.39 80.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.336 -0.853 . . . . 1.21 109.482 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.65 -37.26 83.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.766 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.1 26.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 1.0600000000000001 109.987 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.3 -40.06 92.76 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.163 -0.96 . . . . 1.0800000000000001 109.448 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.73 91.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.197 -0.94 . . . . 1.9299999999999999 109.585 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.44 -49.5 75.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.929 . . . . 1.1399999999999999 109.053 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.09 -49.53 71.87 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.83 0.824 . . . . 2.1899999999999999 109.195 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -55.65 -34.58 65.09 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.734 -0.604 . . . . 1.4299999999999999 109.478 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.208 -0.932 . . . . 1.3100000000000001 109.507 -179.737 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.563 -0.532 . . . . 2.1099999999999999 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -93.4 159.04 15.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.27 -0.894 . . . . 1.01 109.35 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.49 -173.66 3.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.57999999999999996 109.421 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -151.63 115.42 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -0.816 . . . . 1.1599999999999999 108.977 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.93 136.84 40.15 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.511 -0.743 . . . . 1.1699999999999999 109.851 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.22 128.64 34.94 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.352 -0.981 . . . . 1.8100000000000001 108.352 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.17 115.88 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 121.677 0.751 . . . . 1.1299999999999999 109.774 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -75.32 147.53 40.07 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.197 -0.668 . . . . 2.8199999999999998 109.197 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 145.61 13.2 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.759 -1.336 . . . . 0.45000000000000001 109.759 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.48 -51.34 7.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -1.092 . . . . 3.0800000000000001 109.583 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -57.53 -37.84 73.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.915 . . . . 2.54 109.161 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.501 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -48.22 79.07 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.27 -0.894 . . . . 4.1100000000000003 109.584 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.91 -60.02 3.94 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.436 0.636 . . . . 0.56999999999999995 109.885 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -50.52 -38.87 46.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.416 -0.802 . . . . 1.6599999999999999 110.063 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.07 -51.55 63.55 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.121 -0.987 . . . . 1.29 110.165 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -62.17 -45.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.043 -1.036 . . . . 0.40000000000000002 109.028 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.72 -42.55 46.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.111 -0.993 . . . . 3.8500000000000001 108.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.31 -47.26 86.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.48 -0.762 . . . . 1.78 109.523 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 53.5 mt -60.62 -47.53 85.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.877 . . . . 1.1699999999999999 109.054 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.15 -48.29 80.71 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.391 -0.818 . . . . 1.2 109.43 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 2.1200000000000001 109.753 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.09 26.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.933 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.38 -40.02 92.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.149 -0.97 . . . . 1.1399999999999999 109.456 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.81 91.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.522 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -62.39 -49.46 75.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 1.3799999999999999 109.046 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.2 -49.41 72.13 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.771 0.796 . . . . 2.6800000000000002 109.223 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -55.76 -34.49 65.28 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.503 -0.555 . . . . 1.3400000000000001 109.503 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 1.3 109.479 -179.749 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.497 -0.557 . . . . 1.6699999999999999 109.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -93.38 159.23 15.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.309 -0.869 . . . . 1.01 109.392 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.65 -173.69 3.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.63 109.448 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.4 p -151.61 115.53 4.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.437 -0.789 . . . . 1.1299999999999999 108.88 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -101.09 136.57 40.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.492 -0.755 . . . . 1.1000000000000001 109.79 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.87 128.43 34.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.59 -0.893 . . . . 1.3700000000000001 108.59 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.06 115.93 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-O 121.707 0.765 . . . . 1.1499999999999999 109.734 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -75.22 147.24 40.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.284 -0.636 . . . . 2.77 109.284 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 145.72 13.63 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.963 -1.255 . . . . 0.42999999999999999 109.963 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.52 -51.46 7.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -1.122 . . . . 3.1200000000000001 109.626 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -57.37 -38.05 73.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 2.2200000000000002 109.226 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.509 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.9 -48.3 78.52 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.315 -0.866 . . . . 3.5 109.622 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.88 -60.04 3.91 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.657 -0.652 . . . . 0.5 109.832 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -50.57 -38.76 47.02 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.527 -0.733 . . . . 1.6899999999999999 110.011 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.2 -51.5 63.43 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.083 -1.011 . . . . 1.1399999999999999 110.149 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.07 -45.87 91.63 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.034 -1.041 . . . . 0.32000000000000001 109.018 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -49.73 -42.4 46.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.991 . . . . 2.96 109.038 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.15 86.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.465 -0.772 . . . . 1.75 109.469 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.61 -47.54 85.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.824 . . . . 1.0800000000000001 109.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -58.17 -48.35 80.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.453 -0.779 . . . . 1.22 109.401 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.66 -37.32 83.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.73 109.794 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.66 -56.01 27.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.952 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 -39.98 92.77 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.181 -0.949 . . . . 1.1100000000000001 109.374 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.35 -39.64 91.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.119 -0.988 . . . . 1.9099999999999999 109.561 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.3 tp -62.34 -49.19 76.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 1.1699999999999999 109.005 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -64.39 -49.58 71.01 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.729 0.776 . . . . 2.1499999999999999 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.59 -34.39 64.78 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.448 -0.575 . . . . 1.4399999999999999 109.448 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.71 76.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.14 -0.975 . . . . 1.3 109.531 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.3999999999999999 109.548 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.23 0.538 . . . . 1.7 109.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -96.18 144.99 25.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.227 -0.921 . . . . 1.04 109.503 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -134.59 -172.55 3.05 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.366 -0.834 . . . . 0.65000000000000002 109.542 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.0 p -149.63 150.65 32.5 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.56 -0.904 . . . . 1.1399999999999999 108.56 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -142.82 134.42 26.53 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.229 -0.919 . . . . 1.0900000000000001 109.925 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.35 126.97 33.7 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.588 -0.893 . . . . 1.3700000000000001 108.588 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.24 109.56 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 1.1499999999999999 109.203 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.32 149.61 38.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.598 -0.689 . . . . 2.79 109.792 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.1 114.24 1.35 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.962 -1.255 . . . . 0.45000000000000001 109.962 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 335' ' ' ARG . 11.4 ttt-85 -65.24 -37.15 86.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -1.14 . . . . 3.1600000000000001 108.75 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.9 -51.88 68.12 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.439 -0.788 . . . . 2.2200000000000002 109.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.47 ' HG3' HH11 ' A' ' 337' ' ' ARG . 21.0 ttm-85 -65.18 -36.11 83.17 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.232 -0.917 . . . . 3.54 109.938 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.47 -52.33 47.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.5 109.169 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.87 -38.72 70.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 1.6599999999999999 109.176 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.85 -53.88 47.41 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.433 -0.792 . . . . 1.1499999999999999 110.324 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.34 -47.19 87.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.154 -0.966 . . . . 0.34000000000000002 109.065 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.75 -42.13 62.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.158 -0.964 . . . . 2.9399999999999999 109.347 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.59 -48.29 82.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 1.74 109.806 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.49 -39.52 88.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.139 -0.975 . . . . 1.0700000000000001 108.831 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.38 -56.12 26.16 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.533 -0.729 . . . . 1.22 109.287 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 1.72 110.277 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.79 11.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 1.0700000000000001 110.194 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.86 -40.77 94.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.253 -0.905 . . . . 1.0800000000000001 109.643 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.35 -33.82 72.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 1.9099999999999999 109.239 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.36 -51.79 58.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.569 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -62.9 -41.05 99.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.366 -0.834 . . . . 2.1400000000000001 109.099 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.78 -36.64 70.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 1.4299999999999999 109.483 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.86 68.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 1.3 109.64 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.4199999999999999 109.699 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.256 0.551 . . . . 1.6100000000000001 109.623 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -96.19 144.97 25.93 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.193 -0.942 . . . . 0.96999999999999997 109.528 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -134.57 -172.6 3.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.337 -0.852 . . . . 0.59999999999999998 109.523 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 63.1 p -149.55 150.75 32.73 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.51 -0.922 . . . . 1.1000000000000001 108.51 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.82 134.49 26.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.264 -0.897 . . . . 1.1000000000000001 109.918 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.53 127.0 33.8 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.49 -0.929 . . . . 1.3600000000000001 108.49 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.26 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.387 -0.821 . . . . 1.1699999999999999 109.238 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.72 38.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.632 -0.667 . . . . 2.79 109.831 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 114.19 1.33 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.948 -1.261 . . . . 0.47999999999999998 109.948 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' B' ' 335' ' ' ARG . 11.3 ttt-85 -65.13 -37.21 86.69 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -1.096 . . . . 3.2200000000000002 108.777 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.89 -51.87 68.17 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.75 . . . . 2.21 109.865 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.461 HH11 ' HG3' ' B' ' 337' ' ' ARG . 21.0 ttm-85 -65.16 -36.08 83.11 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.267 -0.896 . . . . 3.5499999999999998 109.933 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.55 -52.33 47.98 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.273 -0.892 . . . . 0.52000000000000002 109.133 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -38.64 70.36 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 109.252 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.94 -53.91 46.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.503 -0.748 . . . . 1.1499999999999999 110.308 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.33 -47.22 86.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.137 -0.977 . . . . 0.33000000000000002 109.096 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.7 -42.09 61.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.221 -0.925 . . . . 3.02 109.385 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.31 82.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -0.976 . . . . 1.75 109.831 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.41 -39.61 88.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 108.857 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.39 -56.1 26.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.434 -0.791 . . . . 1.21 109.236 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.02 -38.1 89.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.194 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.41 -57.8 11.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 1.0600000000000001 110.201 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.83 -40.8 94.17 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.604 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.34 -33.91 73.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.077 -1.015 . . . . 1.9299999999999999 109.155 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.37 -51.8 57.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 109.574 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.84 -41.12 99.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.331 -0.856 . . . . 2.1899999999999999 109.037 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.74 -36.65 70.0 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.564 -0.71 . . . . 1.4299999999999999 109.508 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 1.3100000000000001 109.608 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.23 0.538 . . . . 2.1099999999999999 109.639 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.23 144.89 26.02 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.206 -0.934 . . . . 1.01 109.518 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.45 -172.66 3.07 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.57999999999999996 109.544 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 62.9 p -149.54 150.55 32.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.238 -0.914 . . . . 1.1599999999999999 108.542 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 134.43 26.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 109.94 -178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.45 127.06 33.8 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.469 -0.937 . . . . 1.8100000000000001 108.469 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.0 mt -123.29 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.569 -0.707 . . . . 1.1299999999999999 109.244 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.64 38.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.578 -0.701 . . . . 2.8199999999999998 109.797 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 114.18 1.35 Allowed Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.946 -1.262 . . . . 0.45000000000000001 109.946 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' C' ' 335' ' ' ARG . 11.3 ttt-85 -65.24 -37.12 86.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.237 -1.155 . . . . 3.0800000000000001 108.773 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.83 -51.98 67.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.393 -0.817 . . . . 2.54 109.82 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.458 HH11 ' HG3' ' C' ' 337' ' ' ARG . 21.1 ttm-85 -65.15 -36.14 83.32 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.288 -0.883 . . . . 4.1100000000000003 109.84 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.53 -52.37 47.58 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.56999999999999995 109.124 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.8 -38.72 70.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 1.6599999999999999 109.165 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.93 -53.9 46.88 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.488 -0.757 . . . . 1.29 110.245 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.3 -47.17 87.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.198 -0.939 . . . . 0.40000000000000002 109.094 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -51.83 -42.13 62.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.298 -0.877 . . . . 3.8500000000000001 109.33 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.19 82.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.133 -0.979 . . . . 1.78 109.914 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.55 -39.45 87.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.211 -0.93 . . . . 1.1699999999999999 108.865 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.45 -56.07 26.82 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.425 -0.797 . . . . 1.2 109.271 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.1 -38.01 89.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.463 -0.773 . . . . 2.1200000000000001 110.18 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.64 11.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.107 -0.996 . . . . 1.0700000000000001 110.203 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.01 -40.71 94.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 1.1399999999999999 109.551 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.38 -33.87 73.08 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.167 -0.958 . . . . 2.0899999999999999 109.253 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.42 -51.73 58.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 1.3799999999999999 109.601 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.87 -41.13 99.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 2.6800000000000002 109.067 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -56.73 -36.64 69.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.504 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 1.3 109.713 -179.871 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.229 0.538 . . . . 1.6699999999999999 109.628 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -96.17 145.01 25.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.249 -0.907 . . . . 1.01 109.511 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.63 -172.72 3.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.355 -0.84 . . . . 0.63 109.567 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 62.4 p -149.53 150.77 32.8 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.434 -0.95 . . . . 1.1299999999999999 108.434 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.81 134.47 26.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.231 -0.918 . . . . 1.1000000000000001 109.912 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.54 127.03 33.83 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.49 -0.93 . . . . 1.3700000000000001 108.49 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.3 109.51 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.221 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.34 149.59 38.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.645 -0.659 . . . . 2.77 109.863 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.11 114.26 1.35 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.973 -1.251 . . . . 0.42999999999999999 109.973 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' D' ' 335' ' ' ARG . 11.2 ttt-85 -65.25 -37.2 86.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.274 -1.133 . . . . 3.1200000000000001 108.696 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.82 -51.97 67.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 2.2200000000000002 109.8 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' D' ' 337' ' ' ARG . 21.1 ttm-85 -65.02 -36.21 83.67 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.18 -0.95 . . . . 3.5 109.926 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.48 -52.39 47.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 0.5 109.117 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.79 -38.72 70.31 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.222 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.88 -53.96 46.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.491 -0.756 . . . . 1.1399999999999999 110.249 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.27 -47.2 87.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.32000000000000001 109.104 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.73 -42.1 62.02 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.245 -0.909 . . . . 2.96 109.376 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.67 -48.19 82.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.091 -1.006 . . . . 1.75 109.819 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.51 -39.51 88.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 108.809 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.37 -56.26 24.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.408 -0.807 . . . . 1.22 109.175 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -62.92 -38.12 89.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.442 -0.786 . . . . 1.73 110.289 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.39 -57.77 11.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 110.235 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -40.86 94.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 1.1100000000000001 109.585 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.22 -33.93 72.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.174 -0.954 . . . . 1.9099999999999999 109.283 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.38 -51.77 58.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.87 . . . . 1.1699999999999999 109.591 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.85 -41.07 99.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.35 -0.844 . . . . 2.1499999999999999 109.06 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -56.83 -36.65 70.21 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.467 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.95 68.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 1.3 109.639 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 1.3999999999999999 109.65 -179.836 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.321 0.581 . . . . 1.7 109.609 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -95.16 158.06 15.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.228 -0.92 . . . . 1.04 109.633 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -137.05 -168.27 2.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.399 -0.813 . . . . 0.65000000000000002 109.484 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.0 143.33 23.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 108.729 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.8 tp -139.01 137.5 36.39 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 1.0900000000000001 109.834 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.46 131.25 34.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.406 -0.961 . . . . 1.3700000000000001 108.406 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.7 mt -123.42 116.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.376 -0.828 . . . . 1.1499999999999999 109.512 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 31.3 ttt-85 -75.16 151.36 38.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.604 -0.685 . . . . 2.79 109.74 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.66 132.89 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.269 -1.133 . . . . 0.45000000000000001 110.269 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.43 -48.08 14.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.389 -1.066 . . . . 3.1600000000000001 109.38 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 1.6 pm0 -59.21 -39.71 83.51 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.087 -1.008 . . . . 2.2200000000000002 108.901 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.55 -41.44 98.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.904 . . . . 3.54 109.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.57 -57.08 13.41 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.619 -0.676 . . . . 0.5 110.009 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.444 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 80.1 mm-40 -51.28 -37.52 47.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 109.859 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.62 58.97 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.883 . . . . 1.1499999999999999 110.318 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -61.14 -43.63 98.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.013 . . . . 0.34000000000000002 109.142 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 41.7 ttp180 -51.42 -44.77 62.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.181 -0.949 . . . . 2.9399999999999999 109.203 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.31 -47.52 85.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.836 . . . . 1.74 109.831 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.76 -41.01 94.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 1.0700000000000001 109.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.99 -54.49 46.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.885 . . . . 1.22 109.318 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.548 ' CD ' ' HZ3' ' B' ' 351' ' ' LYS . 61.3 tt0 -63.74 -31.14 72.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 1.72 109.373 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.87 -52.82 64.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 1.0700000000000001 109.867 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.33 -45.25 95.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.211 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.93 -36.05 74.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.201 -0.937 . . . . 1.9099999999999999 109.358 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.72 -48.24 77.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 1.1499999999999999 109.253 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.19 -46.92 84.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.381 -0.825 . . . . 2.1400000000000001 108.945 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.09 63.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.733 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.08 73.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.209 -0.932 . . . . 1.3 109.605 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 1.4199999999999999 109.38 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.268 0.556 . . . . 1.6100000000000001 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.21 157.9 15.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.615 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.91 -168.15 2.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.59999999999999998 109.482 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -152.07 143.38 23.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.252 -0.905 . . . . 1.1000000000000001 108.696 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.9 tp -139.08 137.58 36.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.381 -0.824 . . . . 1.1000000000000001 109.839 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.51 131.32 34.39 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.393 -0.966 . . . . 1.3600000000000001 108.393 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.45 116.89 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.458 -0.776 . . . . 1.1699999999999999 109.523 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.18 151.37 38.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.69 -0.631 . . . . 2.79 109.669 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 132.78 2.55 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.267 -1.133 . . . . 0.47999999999999998 110.267 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.29 -48.29 14.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -1.099 . . . . 3.2200000000000002 109.3 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 1.6 pm0 -59.17 -39.67 83.23 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.104 -0.997 . . . . 2.21 108.92 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.57 -41.43 98.38 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 3.5499999999999998 109.191 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.55 -57.18 13.0 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.618 -0.676 . . . . 0.52000000000000002 109.967 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.454 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 80.3 mm-40 -51.21 -37.58 47.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.6799999999999999 109.807 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.67 58.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.235 -0.916 . . . . 1.1499999999999999 110.29 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -61.09 -43.64 98.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.02 -1.05 . . . . 0.33000000000000002 109.189 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 41.6 ttp180 -51.38 -44.76 62.22 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.192 -0.942 . . . . 3.02 109.217 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.37 -47.53 85.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 1.75 109.784 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.75 -40.93 94.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 1.0700000000000001 109.057 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -58.11 -54.5 46.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 1.21 109.198 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.74 -31.2 72.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 1.6899999999999999 109.405 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.79 -52.79 64.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.0600000000000001 109.949 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.37 -45.13 95.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 1.0800000000000001 109.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.04 -36.0 74.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.301 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.71 -48.13 78.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -0.861 . . . . 1.1399999999999999 109.267 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.548 ' HZ3' ' CD ' ' A' ' 346' ' ' GLU . 15.0 ttmm -63.39 -46.84 84.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.402 -0.811 . . . . 2.1899999999999999 108.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.02 63.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.645 -0.659 . . . . 1.4299999999999999 109.683 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.3100000000000001 109.642 -179.784 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.31 0.576 . . . . 2.1099999999999999 109.631 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.11 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.157 -0.964 . . . . 1.01 109.694 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.02 -168.25 2.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.478 -0.764 . . . . 0.57999999999999996 109.44 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.04 143.29 23.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.23 -0.919 . . . . 1.1599999999999999 108.772 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.01 137.55 36.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.378 -0.826 . . . . 1.1699999999999999 109.814 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.53 131.22 34.4 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.375 -0.972 . . . . 1.8100000000000001 108.375 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.4 116.93 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.452 -0.78 . . . . 1.1299999999999999 109.446 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.25 151.42 38.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.534 -0.729 . . . . 2.8199999999999998 109.608 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.64 132.87 2.54 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.25 -1.14 . . . . 0.45000000000000001 110.25 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.36 -48.17 14.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.327 -1.102 . . . . 3.0800000000000001 109.38 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 1.6 pm0 -59.18 -39.7 83.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.07 -1.019 . . . . 2.54 108.914 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.58 -41.37 98.38 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.358 -0.838 . . . . 4.1100000000000003 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -55.64 -57.08 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.639 -0.663 . . . . 0.56999999999999995 109.955 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 80.2 mm-40 -51.26 -37.56 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.815 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.91 -52.64 58.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 1.29 110.341 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.04 -43.71 98.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.40000000000000002 109.206 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 41.6 ttp180 -51.36 -44.77 62.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.201 -0.937 . . . . 3.8500000000000001 109.16 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.42 -47.34 86.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -0.832 . . . . 1.78 109.845 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.91 -40.93 95.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 108.991 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.09 -54.42 47.17 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 1.2 109.274 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -63.84 -31.03 72.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 2.1200000000000001 109.452 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.89 63.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.867 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.28 -45.17 95.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 1.1399999999999999 109.306 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.14 -36.0 74.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.313 -0.867 . . . . 2.0899999999999999 109.259 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.71 -48.24 77.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.336 -0.852 . . . . 1.3799999999999999 109.282 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.412 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 15.1 ttmm -63.26 -46.89 84.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 2.6800000000000002 108.891 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.98 -29.99 63.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.781 -0.574 . . . . 1.3400000000000001 109.606 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 1.3 109.614 -179.771 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.274 0.559 . . . . 1.6699999999999999 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.11 158.03 15.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.945 . . . . 1.01 109.634 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.98 -168.2 2.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.418 -0.801 . . . . 0.63 109.427 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -152.08 143.29 23.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.305 -0.872 . . . . 1.1299999999999999 108.78 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.0 137.5 36.39 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.82 . . . . 1.1000000000000001 109.805 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -85.46 131.18 34.42 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.424 -0.954 . . . . 1.3700000000000001 108.424 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 116.86 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.503 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.18 151.34 38.5 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.598 -0.689 . . . . 2.77 109.668 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.74 132.81 2.57 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.247 -1.141 . . . . 0.42999999999999999 110.247 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.29 -48.21 14.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.09 . . . . 3.1200000000000001 109.339 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 1.6 pm0 -59.22 -39.61 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.038 -1.039 . . . . 2.2200000000000002 108.904 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.55 -41.52 98.43 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.276 -0.89 . . . . 3.5 109.161 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.6 -57.11 13.32 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.66 -0.65 . . . . 0.5 109.926 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.457 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 80.3 mm-40 -51.27 -37.56 47.9 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.272 -0.892 . . . . 1.6899999999999999 109.849 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.88 -52.68 58.85 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 110.312 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.32000000000000001 109.242 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.457 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 41.7 ttp180 -51.44 -44.75 62.44 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.156 -0.965 . . . . 2.96 109.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.38 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.75 109.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.9 -40.94 94.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 1.0800000000000001 108.997 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.08 -54.43 47.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.285 -0.884 . . . . 1.22 109.248 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.412 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 61.2 tt0 -63.78 -31.08 72.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 1.73 109.405 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.89 63.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 1.0700000000000001 109.931 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.26 -45.23 95.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -0.919 . . . . 1.1100000000000001 109.266 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.128 -0.982 . . . . 1.9099999999999999 109.334 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.8 -48.17 77.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 1.1699999999999999 109.224 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.28 -46.91 84.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.403 -0.811 . . . . 2.1499999999999999 108.851 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.14 63.52 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.647 -0.658 . . . . 1.4399999999999999 109.679 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.16 73.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 1.3 109.621 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 1.3999999999999999 109.426 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.205 0.526 . . . . 1.7 109.693 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.31 155.77 16.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.92 . . . . 1.04 109.414 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.72 1.67 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.242 -0.911 . . . . 0.65000000000000002 109.533 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.9 p -152.12 147.42 26.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.245 -0.91 . . . . 1.1399999999999999 109.131 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.01 133.89 36.01 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.418 -0.801 . . . . 1.0900000000000001 110.187 -178.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.23 129.34 34.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 1.3700000000000001 109.13 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.96 119.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.188 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.22 152.02 39.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.64 -0.663 . . . . 2.79 110.214 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.63 139.93 2.47 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.321 -1.111 . . . . 0.45000000000000001 110.321 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.47 HH11 ' HG3' ' A' ' 335' ' ' ARG . 6.6 ttm-85 -79.78 -44.55 20.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.415 -1.05 . . . . 3.1600000000000001 109.227 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.03 -41.93 84.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 2.2200000000000002 109.121 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -62.49 -43.44 98.81 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.392 -0.817 . . . . 3.54 109.015 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.84 -57.9 10.1 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.621 -0.674 . . . . 0.5 109.609 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 30.6 mm-40 -51.66 -39.29 57.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 109.856 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.68 -52.41 60.76 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.227 -0.92 . . . . 1.1499999999999999 110.225 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.11 -47.29 86.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.099 -1.001 . . . . 0.34000000000000002 109.243 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 42.2 ttp180 -50.92 -42.39 59.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 2.9399999999999999 109.543 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.86 -41.85 87.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.917 . . . . 1.74 109.784 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.11 -47.98 82.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.36 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.51 -47.71 78.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.154 -0.966 . . . . 1.22 109.516 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -39.62 93.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 1.72 109.765 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.09 -50.61 73.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 109.723 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.06 -44.5 96.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 1.0800000000000001 109.682 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.73 -33.97 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.426 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.93 -52.23 57.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 109.317 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.26 -44.29 97.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.341 -0.849 . . . . 2.1400000000000001 109.245 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.93 -35.15 68.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.533 -0.73 . . . . 1.4299999999999999 109.53 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.79 84.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 1.3 109.682 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.4199999999999999 109.642 -179.761 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.199 0.523 . . . . 1.6100000000000001 109.687 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.42 155.8 16.79 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.282 -0.886 . . . . 0.96999999999999997 109.465 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.15 -164.74 1.68 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.363 -0.836 . . . . 0.59999999999999998 109.495 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.6 p -151.99 147.61 26.75 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.192 -0.942 . . . . 1.1000000000000001 109.13 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.9 tp -137.29 133.74 35.33 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.462 -0.774 . . . . 1.1000000000000001 110.17 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.15 129.39 34.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.492 -0.755 . . . . 1.3600000000000001 109.076 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.02 119.04 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.522 -0.736 . . . . 1.1699999999999999 109.203 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.23 152.03 39.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.588 -0.695 . . . . 2.79 110.153 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.47 139.99 2.42 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.381 -1.088 . . . . 0.47999999999999998 110.381 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.467 HH11 ' HG3' ' B' ' 335' ' ' ARG . 6.5 ttm-85 -79.78 -44.57 20.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -1.032 . . . . 3.2200000000000002 109.228 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 2.21 109.058 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.54 -43.44 98.8 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.331 -0.856 . . . . 3.5499999999999998 109.007 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.68 -57.98 9.72 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.646 -0.659 . . . . 0.52000000000000002 109.644 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 30.7 mm-40 -51.67 -39.34 58.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.339 -0.85 . . . . 1.6799999999999999 109.741 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.69 -52.46 60.53 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 110.182 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.02 -47.37 86.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 0.33000000000000002 109.214 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 42.1 ttp180 -50.97 -42.33 59.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.239 -0.913 . . . . 3.02 109.536 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.82 -41.93 87.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.909 . . . . 1.75 109.782 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.02 -48.02 82.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 109.397 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -56.46 -47.73 78.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 1.21 109.515 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.34 -39.85 94.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.932 . . . . 1.6899999999999999 109.744 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.67 72.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 1.0600000000000001 109.733 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.08 -44.6 96.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 1.0800000000000001 109.607 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.63 -33.89 72.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 109.516 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.12 -52.16 57.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.408 -0.808 . . . . 1.1399999999999999 109.247 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.21 -44.35 97.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.1899999999999999 109.187 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 -35.16 68.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.503 -0.748 . . . . 1.4299999999999999 109.508 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.3100000000000001 109.7 -179.892 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.243 0.544 . . . . 2.1099999999999999 109.664 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.41 155.83 16.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.287 -0.883 . . . . 1.01 109.388 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.8 1.68 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.57999999999999996 109.5 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.7 p -152.07 147.42 26.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.149 -0.97 . . . . 1.1599999999999999 109.171 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.0 133.81 35.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.484 -0.76 . . . . 1.1699999999999999 110.312 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.12 129.46 34.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.458 -0.776 . . . . 1.8100000000000001 109.08 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -124.11 118.88 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.437 -0.789 . . . . 1.1299999999999999 109.259 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.14 151.99 39.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 2.8199999999999998 110.278 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.61 140.1 2.5 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.282 -1.127 . . . . 0.45000000000000001 110.282 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.452 HH11 ' HG3' ' C' ' 335' ' ' ARG . 6.6 ttm-85 -79.93 -44.51 20.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -1.087 . . . . 3.0800000000000001 109.247 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.08 -41.92 84.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 2.54 109.106 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.289 -0.882 . . . . 4.1100000000000003 109.061 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.83 -57.88 10.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.666 -0.646 . . . . 0.56999999999999995 109.641 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 30.5 mm-40 -51.7 -39.19 57.9 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.818 . . . . 1.6599999999999999 109.852 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.5 ttp -63.8 -52.4 60.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.213 -0.929 . . . . 1.29 110.168 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.18 -47.28 86.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.181 -0.95 . . . . 0.40000000000000002 109.16 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 42.2 ttp180 -50.86 -42.42 58.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.222 -0.924 . . . . 3.8500000000000001 109.588 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.82 -41.95 88.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.294 -0.879 . . . . 1.78 109.773 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.0 -47.96 82.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.38 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -56.55 -47.74 78.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.877 . . . . 1.2 109.495 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.28 -39.8 94.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 2.1200000000000001 109.729 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -50.76 72.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.679 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.02 -44.62 96.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.354 -0.841 . . . . 1.1399999999999999 109.654 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -33.94 72.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 2.0899999999999999 109.482 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.03 -52.24 57.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.384 -0.823 . . . . 1.3799999999999999 109.217 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.16 -44.36 97.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.326 -0.859 . . . . 2.6800000000000002 109.22 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.85 -35.26 68.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.473 -0.767 . . . . 1.3400000000000001 109.506 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 1.3 109.707 -179.857 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.257 0.551 . . . . 1.6699999999999999 109.729 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.37 155.81 16.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.219 -0.925 . . . . 1.01 109.434 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.12 -164.67 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.345 -0.847 . . . . 0.63 109.571 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.1 p -152.02 147.56 26.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 109.157 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.14 133.82 35.71 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 1.1000000000000001 110.232 -178.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.14 129.4 34.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.484 -0.76 . . . . 1.3700000000000001 109.098 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.08 119.04 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.515 -0.74 . . . . 1.1499999999999999 109.207 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.18 152.07 39.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 2.77 110.223 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.48 140.04 2.44 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.335 -1.106 . . . . 0.42999999999999999 110.335 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.47 HH11 ' HG3' ' D' ' 335' ' ' ARG . 6.6 ttm-85 -79.84 -44.54 20.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 3.1200000000000001 109.215 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.1 -41.88 84.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.038 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.51 -43.5 98.67 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.293 -0.879 . . . . 3.5 108.993 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.68 -57.94 9.9 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.404 0.621 . . . . 0.5 109.665 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 30.5 mm-40 -51.66 -39.38 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 1.6899999999999999 109.798 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.57 -52.52 60.67 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 110.182 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.07 -47.35 86.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.32000000000000001 109.151 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 42.2 ttp180 -50.87 -42.45 58.92 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.289 -0.882 . . . . 2.96 109.548 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.88 -41.82 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 1.75 109.706 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.971 . . . . 1.0800000000000001 109.325 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.41 -47.76 78.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.22 109.534 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.33 -39.91 94.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.73 109.745 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.84 72.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.198 -0.939 . . . . 1.0700000000000001 109.712 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.99 -44.59 96.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.387 -0.82 . . . . 1.1100000000000001 109.65 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.67 -33.96 72.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.147 -0.971 . . . . 1.9099999999999999 109.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.89 -52.35 57.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.1699999999999999 109.248 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.2 -44.29 97.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.263 -0.898 . . . . 2.1499999999999999 109.225 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.84 -35.33 68.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.542 -0.724 . . . . 1.4399999999999999 109.51 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.76 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 1.3 109.751 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 1.3999999999999999 109.69 -179.817 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.603 -0.518 . . . . 1.7 109.603 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -94.01 155.11 17.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.391 -0.818 . . . . 1.04 109.517 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.504 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 88.1 m-85 -136.59 -170.0 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.742 . . . . 0.65000000000000002 109.162 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.65 150.42 30.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.285 -0.885 . . . . 1.1399999999999999 108.921 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -145.85 136.79 24.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.832 . . . . 1.0900000000000001 109.752 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 26.3 tp60 -84.68 129.68 34.8 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.89 114.72 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.46 -0.775 . . . . 1.1499999999999999 109.537 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.84 151.1 39.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.67 -0.644 . . . . 2.79 110.01 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.58 2.07 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.372 -1.091 . . . . 0.45000000000000001 110.372 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.525 ' HG2' ' NH1' ' A' ' 335' ' ' ARG . 3.7 tpt180 -78.57 -46.76 18.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.417 -1.049 . . . . 3.1600000000000001 108.974 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.31 -43.85 83.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.187 -0.945 . . . . 2.2200000000000002 108.842 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.79 -42.94 99.64 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.453 -0.779 . . . . 3.54 109.087 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.57 -57.3 12.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.5 109.774 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -52.02 -37.07 52.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.312 -0.868 . . . . 1.6599999999999999 109.72 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.3 -53.23 56.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.067 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.58 -43.96 97.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.34000000000000002 109.296 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.21 -43.33 61.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.876 . . . . 2.9399999999999999 109.312 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.39 -45.56 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 1.74 109.552 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.8 -44.57 96.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 109.253 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.95 -51.11 71.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.851 . . . . 1.22 109.37 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.79 -36.45 81.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 1.72 109.365 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.16 71.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.386 -0.822 . . . . 1.0700000000000001 109.565 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.16 -42.34 99.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 1.0800000000000001 109.35 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.42 -40.97 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 108.963 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.43 -42.2 98.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.277 -0.889 . . . . 1.1499999999999999 108.654 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.17 -46.48 88.75 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.639 -0.874 . . . . 2.1400000000000001 108.639 178.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -34.69 67.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.758 -0.588 . . . . 1.4299999999999999 109.42 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -26.72 67.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 1.3 109.244 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.362 -0.836 . . . . 1.4199999999999999 109.339 179.713 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.591 -0.522 . . . . 1.6100000000000001 109.591 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -93.99 155.16 17.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 0.96999999999999997 109.43 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.523 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 87.8 m-85 -136.58 -169.88 2.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.473 -0.767 . . . . 0.59999999999999998 109.122 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.8 p -151.68 150.58 30.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.255 -0.903 . . . . 1.1000000000000001 108.952 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -145.98 136.72 24.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 1.1000000000000001 109.83 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 26.2 tp60 -84.66 129.68 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.57 -0.9 . . . . 1.3600000000000001 108.57 178.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.88 114.62 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.48 -0.762 . . . . 1.1699999999999999 109.55 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.69 151.13 39.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.703 -0.623 . . . . 2.79 110.166 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 133.35 2.0 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.314 -1.114 . . . . 0.47999999999999998 110.314 178.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HG2' ' NH1' ' B' ' 335' ' ' ARG . 3.7 tpt180 -78.44 -46.64 19.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -1.04 . . . . 3.2200000000000002 108.981 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.32 -44.17 83.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.135 -0.978 . . . . 2.21 108.717 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.71 -42.75 99.37 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 3.5499999999999998 109.027 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.69 -57.34 12.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.592 -0.693 . . . . 0.52000000000000002 109.733 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.96 -37.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 1.6799999999999999 109.786 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.3 55.19 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.083 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.33000000000000002 109.356 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.29 -43.35 61.62 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.339 -0.85 . . . . 3.02 109.294 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.55 93.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.75 109.585 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.85 -44.49 96.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 109.225 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.01 -51.09 71.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.286 -0.884 . . . . 1.21 109.367 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -61.85 -36.36 80.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.309 -0.87 . . . . 1.6899999999999999 109.328 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.53 69.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 1.0600000000000001 109.61 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.07 -42.28 99.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 1.0800000000000001 109.413 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.3 -40.95 83.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 1.9299999999999999 109.011 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.7 -42.16 98.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.318 -0.864 . . . . 1.1399999999999999 108.754 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.99 -46.35 89.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.585 -0.894 . . . . 2.1899999999999999 108.585 178.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.98 67.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.725 -0.609 . . . . 1.4299999999999999 109.498 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 1.3100000000000001 109.195 179.943 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.26 0.553 . . . . 2.1099999999999999 109.514 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -93.94 155.07 17.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.91 . . . . 1.01 109.454 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.502 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 88.1 m-85 -136.58 -170.13 2.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.494 -0.754 . . . . 0.57999999999999996 109.175 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.54 150.67 30.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.277 -0.89 . . . . 1.1599999999999999 108.925 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -145.95 136.91 24.53 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.769 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 26.7 tp60 -84.72 129.62 34.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.583 -0.895 . . . . 1.8100000000000001 108.583 178.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.83 114.67 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.391 -0.818 . . . . 1.1299999999999999 109.539 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.75 150.93 39.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.589 -0.694 . . . . 2.8199999999999998 110.052 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.19 133.05 2.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.4 -1.08 . . . . 0.45000000000000001 110.4 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.522 ' HG2' ' NH1' ' C' ' 335' ' ' ARG . 3.7 tpt180 -78.13 -46.67 20.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -1.054 . . . . 3.0800000000000001 109.093 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.32 -44.18 83.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.957 . . . . 2.54 108.768 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -61.54 -42.95 99.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.418 -0.801 . . . . 4.1100000000000003 109.04 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -55.5 -57.41 12.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.551 -0.718 . . . . 0.56999999999999995 109.786 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -51.97 -36.96 51.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.717 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.34 -53.22 55.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.24 -0.913 . . . . 1.29 110.082 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.55 -43.95 97.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.40000000000000002 109.329 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.18 -43.39 61.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.311 -0.868 . . . . 3.8500000000000001 109.42 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.37 -45.51 93.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.78 109.608 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.233 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.99 -51.16 70.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.375 -0.828 . . . . 1.2 109.415 179.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.88 -36.31 80.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 2.1200000000000001 109.387 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.4 70.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 109.598 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.22 -42.27 99.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 1.1399999999999999 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -58.26 -41.08 83.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.377 -0.827 . . . . 2.0899999999999999 108.966 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.55 -42.11 98.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 1.3799999999999999 108.705 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -62.06 -46.38 89.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.571 -0.9 . . . . 2.6800000000000002 108.571 178.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.79 -34.71 67.91 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.726 -0.609 . . . . 1.3400000000000001 109.478 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 1.3 109.206 179.838 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.591 -0.522 . . . . 1.6699999999999999 109.591 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.99 155.06 17.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.344 -0.847 . . . . 1.01 109.422 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.495 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 87.6 m-85 -136.62 -169.93 2.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -0.755 . . . . 0.63 109.149 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.7 150.4 30.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.181 -0.949 . . . . 1.1299999999999999 108.989 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.1 tp -145.88 136.85 24.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 1.1000000000000001 109.766 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 26.2 tp60 -84.67 129.69 34.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.578 -0.897 . . . . 1.3700000000000001 108.578 178.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.6 mt -123.96 114.85 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.542 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.83 151.01 39.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.612 -0.68 . . . . 2.77 110.039 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.31 2.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.409 -1.076 . . . . 0.42999999999999999 110.409 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.522 ' HG2' ' NH1' ' D' ' 335' ' ' ARG . 3.7 tpt180 -78.22 -46.79 19.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.44 -1.035 . . . . 3.1200000000000001 109.077 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.28 -44.0 83.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 108.822 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.445 -0.784 . . . . 3.5 109.081 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.71 -57.27 12.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.544 -0.723 . . . . 0.5 109.689 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.94 -37.21 51.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.6899999999999999 109.662 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.17 57.24 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.17 -0.956 . . . . 1.1399999999999999 110.089 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.54 -43.91 98.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.32000000000000001 109.363 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -51.29 -43.4 61.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 2.96 109.339 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.6 92.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.319 -0.863 . . . . 1.75 109.574 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.79 -44.4 96.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.897 . . . . 1.0800000000000001 109.263 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.04 -51.12 71.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.22 109.311 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -61.94 -36.21 80.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 1.73 109.342 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -51.31 70.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.372 -0.83 . . . . 1.0700000000000001 109.598 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.06 -42.44 99.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.223 -0.923 . . . . 1.1100000000000001 109.392 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.32 -40.97 83.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.345 -0.847 . . . . 1.9099999999999999 108.96 179.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.52 -42.04 98.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 108.687 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.23 -46.5 88.57 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.594 -0.891 . . . . 2.1499999999999999 108.594 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.74 67.63 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.721 -0.612 . . . . 1.4399999999999999 109.413 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -26.71 66.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 1.3 109.178 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 1.3999999999999999 109.329 179.756 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.284 0.564 . . . . 1.7 109.531 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.85 157.63 16.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 1.04 109.458 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.8 -169.78 2.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.4 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.98 149.71 29.92 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.571 -0.9 . . . . 1.1399999999999999 108.571 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.27 133.29 24.22 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 1.0900000000000001 109.606 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -84.23 130.67 34.81 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.607 -0.886 . . . . 1.3700000000000001 108.607 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.93 117.0 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.465 -0.772 . . . . 1.1499999999999999 109.418 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.32 152.38 38.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.543 -0.723 . . . . 2.79 109.959 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 134.23 1.3 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.386 -1.086 . . . . 0.45000000000000001 110.386 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -80.45 -43.56 20.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.399 -1.059 . . . . 3.1600000000000001 109.134 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -58.77 -42.95 90.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.154 -0.966 . . . . 2.2200000000000002 108.911 179.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.18 -41.22 99.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.385 -0.822 . . . . 3.54 109.148 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -55.77 -55.72 29.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.561 -0.712 . . . . 0.5 109.73 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -51.59 -38.36 54.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.6599999999999999 109.823 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.39 -51.57 67.05 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.303 -0.873 . . . . 1.1499999999999999 109.971 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.1 -45.01 96.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.2 -0.937 . . . . 0.34000000000000002 108.959 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.49 -42.39 61.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 2.9399999999999999 109.416 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.38 -53.39 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.874 . . . . 1.74 109.631 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.91 -38.3 81.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 108.815 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.74 31.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.399 -0.813 . . . . 1.22 109.154 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.41 -31.71 72.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.39 -0.819 . . . . 1.72 109.356 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.56 -54.09 51.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 109.915 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.0 -44.83 96.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.253 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -58.57 -34.76 71.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 108.993 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.19 -50.5 67.85 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.968 -0.753 . . . . 1.1499999999999999 108.968 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.687 -0.857 . . . . 2.1400000000000001 108.687 179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.47 -32.08 64.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.205 -0.665 . . . . 1.4299999999999999 109.205 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.89 83.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.38 -0.825 . . . . 1.3 109.569 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.287 -0.883 . . . . 1.4199999999999999 109.344 179.868 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.319 0.581 . . . . 1.6100000000000001 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -92.82 157.59 16.32 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.239 -0.913 . . . . 0.96999999999999997 109.434 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.82 -169.85 2.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.59999999999999998 109.319 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.92 149.92 30.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.579 -0.897 . . . . 1.1000000000000001 108.579 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -143.37 133.32 24.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.594 -178.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.17 130.59 34.83 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.85 117.0 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.427 -0.796 . . . . 1.1699999999999999 109.429 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.31 152.31 38.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.678 -0.639 . . . . 2.79 109.931 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.37 134.49 1.35 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.362 -1.095 . . . . 0.47999999999999998 110.362 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.67 -43.6 20.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.477 -1.014 . . . . 3.2200000000000002 109.035 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.68 -43.02 89.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.233 -0.917 . . . . 2.21 108.944 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.19 -41.12 99.14 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.345 -0.847 . . . . 3.5499999999999998 109.133 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -55.84 -55.59 30.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.454 -0.779 . . . . 0.52000000000000002 109.769 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -51.62 -38.49 54.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.729 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -62.26 -51.67 66.8 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.227 -0.921 . . . . 1.1499999999999999 110.052 -179.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.08 -44.88 96.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.108 -0.995 . . . . 0.33000000000000002 109.007 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -51.48 -42.61 61.76 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.201 -0.937 . . . . 3.02 109.447 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.1 -53.41 58.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.872 . . . . 1.75 109.748 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.86 -38.47 82.23 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 1.0700000000000001 108.821 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.68 31.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 1.21 109.118 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -31.78 73.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.827 . . . . 1.6899999999999999 109.361 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.97 52.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 1.0600000000000001 109.83 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.0 -44.86 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.226 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.54 -34.75 71.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.901 . . . . 1.9299999999999999 108.942 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.1 -50.46 68.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.49 -0.756 . . . . 1.1399999999999999 109.001 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.29 -46.8 88.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.646 -0.872 . . . . 2.1899999999999999 108.646 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.1 64.58 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.187 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.3100000000000001 109.638 179.958 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.311 0.577 . . . . 2.1099999999999999 109.536 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -92.92 157.62 16.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 1.01 109.505 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.78 -169.78 2.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.435 -0.791 . . . . 0.57999999999999996 109.354 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -150.95 149.75 29.99 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.552 -0.907 . . . . 1.1599999999999999 108.552 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.22 133.27 24.28 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 1.1699999999999999 109.657 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.25 130.55 34.81 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.576 -0.898 . . . . 1.8100000000000001 108.576 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -122.8 116.93 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.501 -0.75 . . . . 1.1299999999999999 109.409 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.31 152.34 38.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.665 . . . . 2.8199999999999998 109.949 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 134.25 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.289 -1.124 . . . . 0.45000000000000001 110.289 179.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -80.46 -43.74 20.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -1.02 . . . . 3.0800000000000001 109.114 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -58.72 -42.81 89.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.214 -0.929 . . . . 2.54 108.93 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.352 -0.843 . . . . 4.1100000000000003 109.094 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -55.74 -55.74 28.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.437 -0.79 . . . . 0.56999999999999995 109.747 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.54 -38.52 54.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.6599999999999999 109.784 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.24 -51.73 66.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.368 -0.833 . . . . 1.29 109.992 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -44.83 96.85 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.40000000000000002 109.091 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.51 -42.42 61.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 3.8500000000000001 109.442 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.33 -53.36 58.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.78 109.738 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.97 -38.21 81.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.197 -0.939 . . . . 1.1699999999999999 108.917 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -58.92 -55.74 31.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.317 -0.864 . . . . 1.2 109.106 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.43 -31.72 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.36 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.09 50.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 1.0700000000000001 109.882 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.05 -44.75 96.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.232 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -58.63 -34.64 71.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.007 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.16 -50.41 68.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.45 -0.781 . . . . 1.3799999999999999 108.936 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.43 -46.65 89.28 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.647 -0.872 . . . . 2.6800000000000002 108.647 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.57 -31.96 64.73 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.212 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.396 -0.815 . . . . 1.3 109.569 179.998 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.281 0.562 . . . . 1.6699999999999999 109.53 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -92.78 157.55 16.36 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -0.866 . . . . 1.01 109.536 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.68 -169.6 2.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.383 -0.823 . . . . 0.63 109.365 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.5 p -151.07 149.82 29.97 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.459 -0.941 . . . . 1.1299999999999999 108.459 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -143.36 133.3 24.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.334 -0.854 . . . . 1.1000000000000001 109.611 -178.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.3 130.67 34.79 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.634 -0.876 . . . . 1.3700000000000001 108.634 179.054 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.0 mt -122.94 116.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.47 -0.769 . . . . 1.1499999999999999 109.419 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.2 152.43 38.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.57 -0.706 . . . . 2.77 109.969 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.24 134.46 1.31 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.297 -1.121 . . . . 0.42999999999999999 110.297 179.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.64 -43.56 20.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -1.008 . . . . 3.1200000000000001 109.094 179.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.75 -43.0 90.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.866 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -63.23 -41.2 99.06 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.427 -0.796 . . . . 3.5 109.085 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -55.68 -55.65 29.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.436 -0.79 . . . . 0.5 109.829 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -51.63 -38.46 54.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 1.6899999999999999 109.782 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.33 -51.62 66.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.307 -0.87 . . . . 1.1399999999999999 109.941 -179.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.06 -44.85 96.77 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.169 -0.957 . . . . 0.32000000000000001 109.027 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.61 -42.42 61.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.32 -0.862 . . . . 2.96 109.414 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.29 -53.38 58.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.844 . . . . 1.75 109.693 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.98 -38.29 82.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 1.0800000000000001 108.819 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.01 -55.63 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.818 . . . . 1.22 109.095 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.38 -31.86 73.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.73 109.373 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.89 53.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 109.916 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.99 -44.91 96.72 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.216 -0.928 . . . . 1.1100000000000001 109.247 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -58.52 -34.79 71.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 1.9099999999999999 108.947 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.01 -50.59 67.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.472 -0.767 . . . . 1.1699999999999999 109.047 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -60.28 -46.74 88.77 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.6 -0.889 . . . . 2.1499999999999999 108.6 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.07 64.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.595 -0.69 . . . . 1.4399999999999999 109.228 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.99 83.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.886 . . . . 1.3 109.54 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.372 179.895 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.258 0.552 . . . . 1.7 109.562 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.11 159.39 15.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 1.04 109.732 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.39 -168.94 2.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.438 -0.789 . . . . 0.65000000000000002 109.402 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.73 146.96 26.14 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.138 -0.976 . . . . 1.1399999999999999 109.105 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -141.01 137.11 32.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.352 -0.842 . . . . 1.0900000000000001 109.894 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.49 132.74 33.92 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.056 -0.72 . . . . 1.3700000000000001 109.056 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.52 114.44 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.437 -0.789 . . . . 1.1499999999999999 108.982 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.18 146.64 43.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.524 -0.735 . . . . 2.79 109.812 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.56 139.73 8.7 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.862 -1.295 . . . . 0.45000000000000001 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.64 -52.73 6.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -1.109 . . . . 3.1600000000000001 109.477 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.04 -35.56 71.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.365 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.52 -40.88 96.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.366 -0.834 . . . . 3.54 109.369 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.93 -53.54 55.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.587 -0.695 . . . . 0.5 109.922 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.87 62.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 109.997 -179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.32 -52.28 64.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.266 -0.897 . . . . 1.1499999999999999 109.992 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.52 -43.8 98.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.34000000000000002 108.812 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.582 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.2 OUTLIER -51.73 -40.9 61.03 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.408 -0.807 . . . . 2.9399999999999999 109.289 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.42 -52.94 63.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 1.74 109.695 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.11 -38.45 83.02 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.128 -0.983 . . . . 1.0700000000000001 108.529 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.3 -55.18 38.34 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.441 -0.787 . . . . 1.22 109.188 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.13 -32.21 73.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 1.72 109.348 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.66 68.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 1.0700000000000001 109.611 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.57 -43.55 98.66 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 1.0800000000000001 109.493 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.41 -36.02 77.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.391 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.45 -51.96 60.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.2 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.74 -44.69 96.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 2.1400000000000001 109.08 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -57.99 -34.52 70.07 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.619 -0.675 . . . . 1.4299999999999999 109.574 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.48 74.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 1.3 109.983 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.219 -0.926 . . . . 1.4199999999999999 109.735 -179.773 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.246 0.546 . . . . 1.6100000000000001 109.543 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.06 159.48 15.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.271 -0.893 . . . . 0.96999999999999997 109.785 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.43 -168.94 2.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.403 -0.811 . . . . 0.59999999999999998 109.361 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.7 147.05 26.24 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 1.1000000000000001 109.059 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -141.14 137.07 32.48 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.38 -0.825 . . . . 1.1000000000000001 109.858 -178.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.58 132.81 33.93 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.974 -0.75 . . . . 1.3600000000000001 108.974 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.53 114.4 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.455 -0.778 . . . . 1.1699999999999999 108.991 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.14 146.72 43.27 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.592 -0.693 . . . . 2.79 109.893 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.58 139.69 8.68 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.883 -1.287 . . . . 0.47999999999999998 109.883 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -82.67 -52.71 6.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -1.076 . . . . 3.2200000000000002 109.461 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.17 -35.46 71.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 2.21 109.349 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.64 -40.78 96.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.321 -0.862 . . . . 3.5499999999999998 109.365 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -55.92 -53.6 54.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.606 -0.684 . . . . 0.52000000000000002 109.899 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.54 -36.75 62.15 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.328 -0.857 . . . . 1.6799999999999999 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -52.23 64.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.199 -0.938 . . . . 1.1499999999999999 109.947 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.79 98.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.33000000000000002 108.799 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.582 HH11 ' CG ' ' B' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.87 60.91 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.376 -0.828 . . . . 3.02 109.373 179.666 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -52.97 62.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.3 -0.875 . . . . 1.75 109.683 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -59.98 -38.57 82.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 108.572 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.19 -55.21 37.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.536 -0.727 . . . . 1.21 109.221 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.19 -32.12 73.43 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.314 -0.866 . . . . 1.6899999999999999 109.283 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.66 68.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.363 -0.836 . . . . 1.0600000000000001 109.547 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.55 -43.68 98.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.361 -0.837 . . . . 1.0800000000000001 109.466 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.27 -36.04 76.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.416 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.5 -51.91 60.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 1.1399999999999999 109.228 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.73 -44.71 96.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 2.1899999999999999 109.084 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.96 -34.54 70.03 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.549 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.192 -0.942 . . . . 1.3100000000000001 109.927 -179.562 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.552 -0.536 . . . . 2.1099999999999999 109.552 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -93.99 159.43 15.17 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.278 -0.889 . . . . 1.01 109.737 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.43 -168.98 2.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.354 -0.841 . . . . 0.57999999999999996 109.354 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.65 147.04 26.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.251 -0.905 . . . . 1.1599999999999999 109.069 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.18 137.07 32.4 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.401 -0.812 . . . . 1.1699999999999999 109.855 -178.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.53 132.72 33.94 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.031 -0.729 . . . . 1.8100000000000001 109.031 179.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 114.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.523 -0.736 . . . . 1.1299999999999999 109.049 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.11 146.7 43.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.551 -0.718 . . . . 2.8199999999999998 109.885 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 139.69 8.64 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.931 -1.268 . . . . 0.45000000000000001 109.931 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.66 -52.71 6.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.327 -1.102 . . . . 3.0800000000000001 109.512 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.07 -35.55 71.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.54 109.416 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.54 -40.81 96.28 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.301 -0.874 . . . . 4.1100000000000003 109.385 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.96 -53.59 55.08 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.506 -0.746 . . . . 0.56999999999999995 109.864 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.5 -36.79 62.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 1.6599999999999999 110.01 -179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.47 -52.16 64.62 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.209 -0.932 . . . . 1.29 109.956 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.86 98.09 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.40000000000000002 108.825 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.6 -40.96 60.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.347 -0.846 . . . . 3.8500000000000001 109.382 179.598 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.35 -52.95 63.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 1.78 109.702 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.18 -38.44 83.26 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.173 -0.954 . . . . 1.1699999999999999 108.502 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.08 -55.35 36.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.521 -0.737 . . . . 1.2 109.257 179.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.05 -32.19 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.346 -0.846 . . . . 2.1200000000000001 109.347 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.69 68.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 1.0700000000000001 109.515 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.0 mt -61.49 -43.72 98.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.384 -0.822 . . . . 1.1399999999999999 109.432 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.33 -35.98 76.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.297 -0.877 . . . . 2.0899999999999999 109.383 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.47 -52.03 60.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.373 -0.829 . . . . 1.3799999999999999 109.207 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.66 -44.7 96.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.343 -0.848 . . . . 2.6800000000000002 109.11 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -58.03 -34.47 70.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.596 -0.69 . . . . 1.3400000000000001 109.554 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 1.3 109.984 -179.652 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.447 -0.575 . . . . 1.6699999999999999 109.447 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -94.03 159.38 15.19 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 1.01 109.738 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.35 -168.97 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.458 -0.776 . . . . 0.63 109.441 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.71 147.02 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.134 -0.979 . . . . 1.1299999999999999 108.997 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.2 tp -141.1 137.05 32.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.356 -0.84 . . . . 1.1000000000000001 109.833 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.51 132.74 33.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.492 -0.755 . . . . 1.3700000000000001 109.073 179.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.5 114.33 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.43 -0.794 . . . . 1.1499999999999999 109.025 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.21 146.81 43.06 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.576 -0.702 . . . . 2.77 109.831 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.54 139.72 8.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.914 -1.274 . . . . 0.42999999999999999 109.914 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -82.72 -52.68 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -1.069 . . . . 3.1200000000000001 109.396 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.21 -35.43 71.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.38 -0.825 . . . . 2.2200000000000002 109.356 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.66 -40.77 96.02 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.354 -0.841 . . . . 3.5 109.345 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.95 -53.56 55.39 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.656 -0.653 . . . . 0.5 109.912 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.77 62.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.373 -0.829 . . . . 1.6899999999999999 110.018 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -62.46 -52.29 64.09 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 109.868 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -43.77 98.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.13 -0.981 . . . . 0.32000000000000001 108.816 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.583 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.89 60.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.4 -0.812 . . . . 2.96 109.362 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.39 -53.0 62.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.208 -0.932 . . . . 1.75 109.712 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.97 -38.56 82.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.14 -0.975 . . . . 1.0800000000000001 108.598 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.21 -55.2 38.07 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.483 -0.761 . . . . 1.22 109.22 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -63.04 -32.31 73.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.479 -0.763 . . . . 1.73 109.336 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.69 68.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.575 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.44 -43.73 98.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.389 -0.819 . . . . 1.1100000000000001 109.5 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.3 -35.95 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.491 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.49 -51.99 60.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 1.1699999999999999 109.197 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.72 -44.75 96.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.372 -0.83 . . . . 2.1499999999999999 109.077 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.94 -34.51 69.96 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.549 -0.719 . . . . 1.4399999999999999 109.615 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.44 74.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.3 109.98 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.061 -1.024 . . . . 1.3999999999999999 109.681 -179.658 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.567 -0.531 . . . . 1.7 109.567 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.38 15.7 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.27 -0.894 . . . . 1.04 109.566 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -136.73 -169.37 2.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.831 . . . . 0.65000000000000002 109.59 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.0 146.21 26.07 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.53 -0.915 . . . . 1.1399999999999999 108.53 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.85 136.85 32.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 1.0900000000000001 109.696 -178.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.42 132.04 34.29 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.3700000000000001 108.57 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.03 114.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.398 -0.814 . . . . 1.1499999999999999 109.418 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.97 143.13 43.78 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.51 -0.744 . . . . 2.79 109.768 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 140.86 9.48 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 110.154 -1.178 . . . . 0.45000000000000001 110.154 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -85.17 -50.4 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 3.1600000000000001 109.378 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.84 -39.29 71.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.191 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.476 -0.765 . . . . 3.54 109.571 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -58.05 9.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.548 -0.72 . . . . 0.5 110.208 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 335' ' ' ARG . 4.3 mp0 -51.26 -36.55 42.62 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.033 -1.042 . . . . 1.6599999999999999 109.897 -179.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.04 58.38 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 110.163 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -43.13 99.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.34000000000000002 108.905 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.76 -42.63 62.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.253 -0.904 . . . . 2.9399999999999999 109.4 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.49 -54.46 46.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.312 -0.868 . . . . 1.74 110.018 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.12 -38.17 82.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.215 -0.928 . . . . 1.0700000000000001 108.658 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.59 -53.7 55.06 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.52 -0.737 . . . . 1.22 109.546 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -63.05 -34.34 77.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 1.72 109.807 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.55 73.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.031 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.14 99.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 109.475 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.86 -35.7 73.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.013 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.42 -48.07 79.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.415 -0.803 . . . . 1.1499999999999999 109.08 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.444 ' HZ3' ' CD ' ' B' ' 346' ' ' GLU . 15.4 ttmm -60.64 -39.65 89.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.247 -0.908 . . . . 2.1400000000000001 108.672 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.08 -47.41 81.08 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.322 -0.621 . . . . 1.4299999999999999 109.322 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.96 68.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -0.779 . . . . 1.3 109.424 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 1.4199999999999999 109.295 179.904 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.528 -0.545 . . . . 1.6100000000000001 109.528 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -93.63 158.46 15.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.209 -0.932 . . . . 0.96999999999999997 109.649 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.81 -169.44 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.439 -0.788 . . . . 0.59999999999999998 109.553 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.05 146.11 25.96 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.535 -0.913 . . . . 1.1000000000000001 108.535 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -140.76 136.79 32.87 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.359 -0.838 . . . . 1.1000000000000001 109.745 -178.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -85.35 132.1 34.29 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.541 -0.911 . . . . 1.3600000000000001 108.541 179.137 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.08 114.17 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.453 -0.779 . . . . 1.1699999999999999 109.336 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.12 143.23 43.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.562 -0.711 . . . . 2.79 109.77 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.89 9.45 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.165 -1.174 . . . . 0.47999999999999998 110.165 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.566 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -85.04 -50.52 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.462 -1.022 . . . . 3.2200000000000002 109.52 179.794 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.8 -39.24 71.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 2.21 109.213 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.32 -40.53 96.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.434 -0.791 . . . . 3.5499999999999998 109.63 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.52 -57.95 9.79 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.551 -0.718 . . . . 0.52000000000000002 110.229 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 335' ' ' ARG . 4.3 mp0 -51.31 -36.56 43.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.029 -1.044 . . . . 1.6799999999999999 109.902 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.1 ttp -63.44 -53.04 58.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.141 -0.974 . . . . 1.1499999999999999 110.201 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.96 -43.18 99.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.33000000000000002 108.93 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -51.69 -42.68 62.37 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.304 -0.872 . . . . 3.02 109.408 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.46 -54.44 46.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.75 110.028 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.1 -38.27 82.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 108.67 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.53 -53.68 55.28 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.444 -0.785 . . . . 1.21 109.528 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.444 ' CD ' ' HZ3' ' A' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.23 77.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.381 -0.825 . . . . 1.6899999999999999 109.755 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.67 73.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.229 -0.919 . . . . 1.0600000000000001 109.952 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.4 -43.32 99.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 1.0800000000000001 109.458 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.75 -35.51 72.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.9299999999999999 109.083 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.57 -48.02 79.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.527 -0.733 . . . . 1.1399999999999999 109.067 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.75 -39.57 89.21 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.259 -0.901 . . . . 2.1899999999999999 108.611 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 352' ' ' ASP . 5.8 m-20 -57.04 -47.41 81.01 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.307 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 1.3100000000000001 109.356 179.893 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.566 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -93.73 158.38 15.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.226 -0.921 . . . . 1.01 109.596 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.78 -169.4 2.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.382 -0.824 . . . . 0.57999999999999996 109.503 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.06 146.17 26.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.489 -0.93 . . . . 1.1599999999999999 108.489 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.75 136.8 32.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 1.1699999999999999 109.751 -178.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.38 132.08 34.29 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.546 -0.909 . . . . 1.8100000000000001 108.546 179.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.06 114.09 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.409 -0.807 . . . . 1.1299999999999999 109.37 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.03 143.22 43.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.567 -0.708 . . . . 2.8199999999999998 109.758 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.84 9.43 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.171 -1.172 . . . . 0.45000000000000001 110.171 179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.559 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.4 OUTLIER -85.06 -50.47 7.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.415 -1.05 . . . . 3.0800000000000001 109.474 179.799 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.77 -39.31 71.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 2.54 109.223 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.24 -40.61 96.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.406 -0.809 . . . . 4.1100000000000003 109.558 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -57.98 9.64 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.542 -0.724 . . . . 0.56999999999999995 110.257 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' C' ' 335' ' ' ARG . 4.3 mp0 -51.35 -36.48 43.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.061 -1.024 . . . . 1.6599999999999999 109.846 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.1 57.48 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.151 -0.968 . . . . 1.29 110.157 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.98 -43.11 99.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.118 -0.989 . . . . 0.40000000000000002 108.884 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.77 -42.66 62.57 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 3.8500000000000001 109.303 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.54 -54.4 46.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 1.78 110.011 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.12 -38.18 82.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.952 . . . . 1.1699999999999999 108.701 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.75 54.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.468 -0.77 . . . . 1.2 109.477 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.485 ' CD ' ' HZ3' ' D' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.14 76.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.415 -0.803 . . . . 2.1200000000000001 109.795 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -50.58 73.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 109.958 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.188 -0.945 . . . . 1.1399999999999999 109.459 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -35.61 73.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 2.0899999999999999 109.051 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.51 -48.07 79.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 1.3799999999999999 109.047 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.67 -39.58 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.564 -0.902 . . . . 2.6800000000000002 108.564 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.11 -47.37 81.23 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.446 0.641 . . . . 1.3400000000000001 109.278 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.397 -0.815 . . . . 1.3 109.393 179.861 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.536 -0.542 . . . . 1.6699999999999999 109.536 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.36 15.71 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.276 -0.89 . . . . 1.01 109.525 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.78 -169.47 2.48 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.373 -0.83 . . . . 0.63 109.63 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -150.99 146.27 26.11 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.437 -0.949 . . . . 1.1299999999999999 108.437 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.0 tp -140.79 136.74 32.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 1.1000000000000001 109.796 -178.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.46 132.0 34.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.592 -0.892 . . . . 1.3700000000000001 108.592 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.0 114.14 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.37 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.96 143.19 43.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.669 -0.645 . . . . 2.77 109.779 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 140.89 9.47 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.118 -1.193 . . . . 0.42999999999999999 110.118 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -85.13 -50.6 7.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.394 -1.062 . . . . 3.1200000000000001 109.378 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -39.25 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.256 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.3 -40.58 96.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.463 -0.773 . . . . 3.5 109.553 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.43 -58.07 9.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.562 -0.711 . . . . 0.5 110.178 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' D' ' 335' ' ' ARG . 4.4 mp0 -51.23 -36.59 42.47 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.98 -1.075 . . . . 1.6899999999999999 109.866 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.43 -53.13 57.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.272 -0.893 . . . . 1.1399999999999999 110.19 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.94 -43.17 99.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.974 . . . . 0.32000000000000001 108.927 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.73 -42.6 62.42 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.333 -0.854 . . . . 2.96 109.411 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.59 -54.38 47.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.75 109.964 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.08 -38.27 82.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.107 -0.996 . . . . 1.0800000000000001 108.7 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.72 54.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.48 -0.762 . . . . 1.22 109.583 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -63.06 -34.22 77.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 1.73 109.788 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.57 73.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 109.94 -179.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.52 -43.15 99.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.186 -0.946 . . . . 1.1100000000000001 109.443 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -35.5 73.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.9099999999999999 108.96 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.62 -47.94 79.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.441 -0.787 . . . . 1.1699999999999999 108.934 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.485 ' HZ3' ' CD ' ' C' ' 346' ' ' GLU . 15.4 ttmm -60.74 -39.69 89.62 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.224 -0.922 . . . . 2.1499999999999999 108.651 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' D' ' 352' ' ' ASP . 5.7 m-20 -57.02 -47.38 81.02 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.655 -0.653 . . . . 1.4399999999999999 109.315 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.93 68.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.408 -0.808 . . . . 1.3 109.375 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 1.3999999999999999 109.284 179.92 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.418 -0.586 . . . . 1.7 109.418 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -95.98 152.07 18.85 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 1.04 109.795 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.83 135.93 30.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 108.877 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.04 160.95 14.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.313 -0.867 . . . . 1.1399999999999999 109.549 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -149.24 130.68 14.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.855 . . . . 1.0900000000000001 109.598 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.99 130.12 34.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.545 -0.909 . . . . 1.3700000000000001 108.545 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 56.9 mt -123.54 109.39 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.617 -0.677 . . . . 1.1499999999999999 109.429 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.64 152.27 39.23 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 2.79 109.342 179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.4 130.16 5.79 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.943 -1.263 . . . . 0.45000000000000001 109.943 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.15 -55.67 5.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -1.037 . . . . 3.1600000000000001 109.627 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.37 -38.61 74.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.2200000000000002 109.611 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.9 98.13 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.259 -0.901 . . . . 3.54 109.688 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -53.93 -55.77 23.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.811 . . . . 0.5 110.012 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -51.04 -38.4 51.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.936 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.3 -52.22 62.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 110.257 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.097 -1.002 . . . . 0.34000000000000002 109.321 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.0 -43.25 60.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.923 . . . . 2.9399999999999999 109.303 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.84 -45.64 93.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 1.74 109.573 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.75 -47.02 87.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 109.314 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.81 -48.78 78.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 1.22 109.156 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.74 85.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.382 -0.824 . . . . 1.72 109.436 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.75 64.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 1.0700000000000001 109.719 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.81 -44.22 97.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.253 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -58.06 -36.91 73.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 108.902 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.7 -41.95 98.04 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.721 -0.844 . . . . 1.1499999999999999 108.721 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.43 -48.45 77.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.863 -0.791 . . . . 2.1400000000000001 108.863 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.51 -32.44 58.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.312 0.577 . . . . 1.4299999999999999 109.615 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.77 34.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -0.909 . . . . 1.3 109.504 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 350' ' ' LEU . 23.3 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.4199999999999999 109.653 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.503 -0.555 . . . . 1.6100000000000001 109.503 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.96 152.0 18.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.331 -0.856 . . . . 0.96999999999999997 109.847 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -141.79 135.8 30.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.315 -0.866 . . . . 0.59999999999999998 108.935 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -96.92 161.01 14.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.336 -0.852 . . . . 1.1000000000000001 109.591 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -149.12 130.65 14.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.328 -0.858 . . . . 1.1000000000000001 109.676 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -85.08 130.22 34.66 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.519 -0.919 . . . . 1.3600000000000001 108.519 179.159 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.52 109.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.591 -0.693 . . . . 1.1699999999999999 109.456 -179.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.66 152.26 39.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 2.79 109.266 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.39 130.04 5.75 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.93 -1.268 . . . . 0.47999999999999998 109.93 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.08 -55.73 5.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -1.109 . . . . 3.2200000000000002 109.619 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -57.41 -38.51 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.616 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.75 -41.86 98.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.372 -0.83 . . . . 3.5499999999999998 109.716 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -53.99 -55.79 23.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.36 -0.838 . . . . 0.52000000000000002 110.021 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.86 -38.51 49.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.321 -0.862 . . . . 1.6799999999999999 109.952 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.28 -52.19 63.02 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 110.272 -179.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.59 -44.87 95.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.076 -1.015 . . . . 0.33000000000000002 109.296 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.94 -43.24 60.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 3.02 109.305 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.93 -45.54 94.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 1.75 109.535 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.84 -46.94 87.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 1.0700000000000001 109.312 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.76 -48.92 78.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 1.21 109.156 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.54 -37.79 85.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 1.6899999999999999 109.449 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.0 -52.75 64.44 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.393 -0.817 . . . . 1.0600000000000001 109.692 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.77 -44.3 97.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 1.0800000000000001 109.197 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.03 -36.95 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.929 . . . . 1.9299999999999999 108.905 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' A' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 1.1399999999999999 108.823 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.46 77.81 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.878 0.846 . . . . 2.1899999999999999 108.88 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.5 -32.49 58.05 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.743 -0.598 . . . . 1.4299999999999999 109.682 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 1.3100000000000001 109.585 -179.969 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.462 -0.57 . . . . 2.1099999999999999 109.462 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.96 152.08 18.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.209 -0.932 . . . . 1.01 109.789 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -141.84 135.88 30.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.382 -0.824 . . . . 0.57999999999999996 108.85 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.02 160.92 14.07 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.383 -0.823 . . . . 1.1599999999999999 109.577 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.7 tp -149.09 130.77 15.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 1.1699999999999999 109.654 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -85.04 130.06 34.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.8100000000000001 108.525 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -123.54 109.45 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 CA-C-O 121.442 0.639 . . . . 1.1299999999999999 109.394 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 2.8199999999999998 109.267 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.46 130.14 5.8 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.837 -1.305 . . . . 0.45000000000000001 109.837 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.17 -55.69 5.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.329 -1.101 . . . . 3.0800000000000001 109.593 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.43 -38.55 74.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 2.54 109.584 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.92 98.14 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.322 -0.861 . . . . 4.1100000000000003 109.661 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -54.02 -55.83 23.66 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.471 -0.768 . . . . 0.56999999999999995 109.949 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.91 -38.4 49.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 110.002 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.34 -52.2 62.78 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.237 -0.914 . . . . 1.29 110.19 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.48 -45.0 95.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.40000000000000002 109.336 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.92 -43.29 59.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.223 -0.923 . . . . 3.8500000000000001 109.285 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.86 -45.58 93.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 1.78 109.597 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.8 -46.98 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.938 . . . . 1.1699999999999999 109.292 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.76 -48.87 78.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 1.2 109.15 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.61 -37.72 84.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 2.1200000000000001 109.423 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.82 64.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 1.0700000000000001 109.701 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.7 -44.2 97.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.208 -0.932 . . . . 1.1399999999999999 109.283 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.13 -36.9 73.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.196 -0.94 . . . . 2.0899999999999999 108.867 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.421 ' CD2' ' NE2' ' D' ' 354' ' ' GLN . 4.7 tp -63.63 -42.04 98.19 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.799 -0.815 . . . . 1.3799999999999999 108.799 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.44 -48.39 77.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.836 0.827 . . . . 2.6800000000000002 108.828 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -54.52 -32.52 58.26 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.311 0.577 . . . . 1.3400000000000001 109.65 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 1.3 109.573 -179.952 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.478 -0.564 . . . . 1.6699999999999999 109.478 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -96.06 152.14 18.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.257 -0.902 . . . . 1.01 109.751 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.89 135.86 29.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -0.805 . . . . 0.63 108.896 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -96.99 161.09 13.99 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.347 -0.846 . . . . 1.1299999999999999 109.552 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -149.25 130.65 14.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.68 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.97 130.11 34.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.554 -0.906 . . . . 1.3700000000000001 108.554 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.0 mt -123.54 109.34 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 CA-C-O 121.451 0.643 . . . . 1.1499999999999999 109.478 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -74.57 152.29 39.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.396 -0.815 . . . . 2.77 109.351 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.41 130.06 5.76 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.913 -1.275 . . . . 0.42999999999999999 109.913 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.03 -55.77 5.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 3.1200000000000001 109.62 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.34 -38.54 74.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 2.2200000000000002 109.631 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.74 -41.77 98.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.376 -0.827 . . . . 3.5 109.716 -179.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.04 -55.77 24.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.775 . . . . 0.5 109.997 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.97 -38.4 50.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.952 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.41 -52.21 62.54 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.225 -0.922 . . . . 1.1399999999999999 110.165 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.92 95.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.965 . . . . 0.32000000000000001 109.346 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.97 -43.16 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.236 -0.915 . . . . 2.96 109.378 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.88 -45.64 93.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.75 109.53 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.75 -46.97 87.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.0800000000000001 109.367 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.82 -48.8 78.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.12 -0.987 . . . . 1.22 109.185 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.75 85.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 1.73 109.39 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.84 64.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.678 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.8 -44.09 97.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 1.1100000000000001 109.263 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.25 -36.88 73.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 1.9099999999999999 108.852 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.67 -41.96 98.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.377 -0.827 . . . . 1.1699999999999999 108.809 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.43 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.876 0.846 . . . . 2.1499999999999999 108.869 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.53 -32.59 58.47 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.768 -0.582 . . . . 1.4399999999999999 109.521 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.59 36.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.331 -0.856 . . . . 1.3 109.572 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.421 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 23.2 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.374 -0.829 . . . . 1.3999999999999999 109.647 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.41 -0.589 . . . . 1.7 109.41 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.484 -0.76 . . . . 1.04 109.697 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.82 -170.75 2.76 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.404 -0.81 . . . . 0.65000000000000002 109.135 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.76 149.38 28.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 1.1399999999999999 108.558 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.5 tp -142.6 131.99 23.58 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.282 -0.886 . . . . 1.0900000000000001 109.911 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.13 128.13 34.53 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.719 -0.845 . . . . 1.3700000000000001 108.719 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.06 117.48 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.469 -0.769 . . . . 1.1499999999999999 109.658 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.65 149.71 36.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.501 -0.749 . . . . 2.79 109.769 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.22 138.42 6.13 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.538 -1.025 . . . . 0.45000000000000001 110.538 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.46 HH11 ' HG3' ' A' ' 335' ' ' ARG . 7.7 ttm-85 -83.62 -51.37 7.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.435 -1.038 . . . . 3.1600000000000001 109.171 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -58.24 -38.95 77.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.413 -0.805 . . . . 2.2200000000000002 109.151 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.93 -45.96 86.86 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.562 -0.903 . . . . 3.54 108.562 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.87 -50.41 70.71 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.396 0.617 . . . . 0.5 109.562 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.85 -38.22 61.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.889 -179.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.18 -50.08 73.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.087 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.211 -0.93 . . . . 0.34000000000000002 109.189 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -52.19 -43.42 64.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 2.9399999999999999 109.431 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.417 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.3 tp10 -60.05 -53.53 56.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.25 -0.906 . . . . 1.74 109.764 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.22 -37.12 79.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 108.817 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.17 -55.9 29.09 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.337 -0.852 . . . . 1.22 109.189 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.449 ' CB ' ' HZ2' ' B' ' 351' ' ' LYS . 95.8 mt-10 -64.03 -31.51 72.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.349 -0.845 . . . . 1.72 109.717 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -54.81 42.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.942 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.99 -44.13 97.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.429 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.08 -37.18 76.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 109.538 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -48.9 75.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.907 . . . . 1.1499999999999999 109.443 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.438 ' HZ2' ' CB ' ' B' ' 346' ' ' GLU . 31.1 ttmt -62.58 -45.41 93.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.329 -0.857 . . . . 2.1400000000000001 109.028 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.44 -28.8 60.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.385 -0.822 . . . . 1.4299999999999999 109.216 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.8 80.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 1.3 110.116 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 1.4199999999999999 109.755 -179.681 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.442 -0.577 . . . . 1.6100000000000001 109.442 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.84 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.392 -0.817 . . . . 0.96999999999999997 109.651 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.85 -170.76 2.77 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.485 -0.76 . . . . 0.59999999999999998 109.18 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.81 149.19 28.73 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.589 -0.893 . . . . 1.1000000000000001 108.589 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.38 132.11 24.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.927 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.14 128.02 34.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.703 -0.851 . . . . 1.3600000000000001 108.703 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.97 117.41 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.494 -0.754 . . . . 1.1699999999999999 109.687 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.49 149.72 36.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 2.79 109.847 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.15 138.36 6.07 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.533 -1.027 . . . . 0.47999999999999998 110.533 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.465 HH11 ' HG3' ' B' ' 335' ' ' ARG . 7.7 ttm-85 -83.52 -51.44 7.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.483 -1.01 . . . . 3.2200000000000002 109.096 179.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.17 -38.94 77.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.325 -0.859 . . . . 2.21 109.236 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.0 -45.87 87.03 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.488 -0.93 . . . . 3.5499999999999998 108.488 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.89 -50.52 70.43 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.581 -0.699 . . . . 0.52000000000000002 109.511 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.76 -38.2 60.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.6799999999999999 109.971 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -62.3 -49.92 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.966 . . . . 1.1499999999999999 110.088 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.15 -41.42 96.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.208 -0.932 . . . . 0.33000000000000002 109.238 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.17 -43.42 64.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 3.02 109.49 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.01 -53.54 56.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 1.75 109.83 -179.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.25 -37.05 79.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 108.782 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.21 -55.81 30.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.419 -0.801 . . . . 1.21 109.203 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.438 ' CB ' ' HZ2' ' A' ' 351' ' ' LYS . 95.9 mt-10 -64.04 -31.72 73.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.755 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.85 -54.96 41.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 1.0600000000000001 109.974 -179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 1.0800000000000001 109.37 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.04 -37.15 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.9299999999999999 109.543 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.44 -48.95 75.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.816 . . . . 1.1399999999999999 109.488 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.449 ' HZ2' ' CB ' ' A' ' 346' ' ' GLU . 31.0 ttmt -62.54 -45.32 93.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.349 -0.844 . . . . 2.1899999999999999 109.076 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.87 60.54 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.512 -0.743 . . . . 1.4299999999999999 109.211 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.803 . . . . 1.3100000000000001 110.046 -179.543 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.423 -0.584 . . . . 2.1099999999999999 109.423 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.93 149.51 23.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.45 -0.781 . . . . 1.01 109.668 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -136.87 -170.82 2.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.443 -0.786 . . . . 0.57999999999999996 109.119 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.72 149.16 28.75 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.649 -0.871 . . . . 1.1599999999999999 108.649 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.3 tp -142.4 132.14 24.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.296 -0.877 . . . . 1.1699999999999999 109.896 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.19 128.13 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.707 -0.849 . . . . 1.8100000000000001 108.707 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -124.05 117.29 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.455 -0.778 . . . . 1.1299999999999999 109.727 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.46 149.61 36.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.574 -0.704 . . . . 2.8199999999999998 109.827 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.28 138.44 6.17 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.511 -1.036 . . . . 0.45000000000000001 110.511 178.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.457 HH11 ' HG3' ' C' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.47 7.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -1.015 . . . . 3.0800000000000001 109.082 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -38.8 77.56 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.348 -0.845 . . . . 2.54 109.238 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.08 -45.97 86.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.476 -0.935 . . . . 4.1100000000000003 108.476 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.89 -50.42 70.71 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.637 -0.665 . . . . 0.56999999999999995 109.529 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.78 -38.15 60.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 110.031 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.25 -50.05 73.28 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.11 -0.994 . . . . 1.29 110.12 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.02 -41.48 96.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.176 -0.953 . . . . 0.40000000000000002 109.218 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.24 -43.36 64.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.107 -0.996 . . . . 3.8500000000000001 109.462 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.03 -53.55 56.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 1.78 109.796 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.21 -37.08 79.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 108.785 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.16 -55.86 29.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.381 -0.824 . . . . 1.2 109.18 179.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.406 ' CB ' ' HZ2' ' D' ' 351' ' ' LYS . 95.8 mt-10 -64.15 -31.58 72.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 2.1200000000000001 109.702 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.94 -54.9 41.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 109.985 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.85 -44.3 97.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 1.1399999999999999 109.423 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.0 -37.23 76.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 2.0899999999999999 109.58 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.36 -48.98 75.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 1.3799999999999999 109.483 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.438 ' HZ2' ' CB ' ' D' ' 346' ' ' GLU . 31.0 ttmt -62.54 -45.28 93.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 2.6800000000000002 109.105 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.47 -28.82 60.69 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.506 -0.747 . . . . 1.3400000000000001 109.232 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 1.3 110.129 -179.633 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.301 0.572 . . . . 1.6699999999999999 109.461 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -101.01 149.31 24.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.374 -0.829 . . . . 1.01 109.701 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.6 -170.75 2.75 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.399 -0.813 . . . . 0.63 109.155 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.79 149.2 28.76 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.936 . . . . 1.1299999999999999 108.523 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.2 tp -142.37 132.24 24.29 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.348 -0.845 . . . . 1.1000000000000001 109.919 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -85.23 128.07 34.54 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -124.09 117.35 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.453 -0.78 . . . . 1.1499999999999999 109.678 -179.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.55 149.72 36.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.748 . . . . 2.77 109.785 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.18 138.34 6.08 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.537 -1.025 . . . . 0.42999999999999999 110.537 179.059 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.467 HH11 ' HG3' ' D' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.39 7.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -1.024 . . . . 3.1200000000000001 109.125 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.23 -38.95 77.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.146 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.97 -45.95 86.81 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.48 -0.933 . . . . 3.5 108.48 179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.84 -50.48 70.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.648 -0.658 . . . . 0.5 109.537 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.81 -38.1 60.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.98 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -62.35 -49.96 73.51 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.225 -0.922 . . . . 1.1399999999999999 110.095 -179.339 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.96 -41.51 96.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.205 -0.934 . . . . 0.32000000000000001 109.27 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.27 -43.3 64.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 2.96 109.438 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.411 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.3 tp10 -60.09 -53.58 56.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 1.75 109.751 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.23 -37.0 79.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 108.868 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.2 -55.86 29.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.447 -0.783 . . . . 1.22 109.211 179.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.438 ' CB ' ' HZ2' ' C' ' 351' ' ' LYS . 95.8 mt-10 -64.14 -31.47 72.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 1.73 109.697 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.84 42.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 1.0700000000000001 109.982 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.97 -44.21 97.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.882 . . . . 1.1100000000000001 109.427 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.08 -37.16 76.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.449 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.46 -48.87 75.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 1.1699999999999999 109.42 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.406 ' HZ2' ' CB ' ' C' ' 346' ' ' GLU . 31.0 ttmt -62.61 -45.37 93.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.312 -0.868 . . . . 2.1499999999999999 109.066 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.77 60.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 1.4399999999999999 109.349 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.75 80.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.301 -0.875 . . . . 1.3 110.108 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.108 -0.995 . . . . 1.3999999999999999 109.7 -179.639 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.492 -0.558 . . . . 1.7 109.492 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.64 146.18 26.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.173 -0.954 . . . . 1.04 109.888 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -141.65 137.02 31.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.32 -0.862 . . . . 0.65000000000000002 109.02 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.4 p -95.96 163.44 13.14 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.06 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 39.2 tp -150.65 133.79 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 1.0900000000000001 110.011 -179.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.08 127.99 34.46 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.244 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.13 110.55 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.526 -0.734 . . . . 1.1499999999999999 109.72 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -74.68 151.72 39.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.574 -0.704 . . . . 2.79 109.491 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.52 138.03 6.14 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.26 -1.136 . . . . 0.45000000000000001 110.26 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.24 -47.11 11.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.388 -1.066 . . . . 3.1600000000000001 109.378 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.59 -43.17 89.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 109.377 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.31 -41.27 96.73 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.344 -0.848 . . . . 3.54 109.567 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.71 -55.98 24.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.492 -0.755 . . . . 0.5 109.686 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.98 -42.21 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 109.662 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 19.0 ttp -63.39 -52.11 63.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 110.278 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.31 -48.22 82.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.34000000000000002 109.077 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.54 -43.67 62.42 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.227 -0.921 . . . . 2.9399999999999999 109.485 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.99 -43.95 94.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.74 110.087 -179.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.31 -42.47 98.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.023 . . . . 1.0700000000000001 109.151 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.69 -54.21 49.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 1.22 109.567 179.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.479 ' CD ' ' HZ3' ' B' ' 351' ' ' LYS . 71.2 tt0 -63.6 -37.32 86.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 1.72 109.994 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.53 45.9 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 110.003 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.7 mt -61.56 -40.09 93.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.394 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.11 -36.42 77.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.406 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.31 -47.75 80.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.462 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.435 ' HZ3' ' CD ' ' B' ' 346' ' ' GLU . 17.3 ttmm -62.28 -46.65 87.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 2.1400000000000001 108.719 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.55 -38.07 71.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.557 -0.714 . . . . 1.4299999999999999 109.164 179.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -25.12 65.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 1.3 109.613 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 1.4199999999999999 109.478 179.884 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.451 -0.574 . . . . 1.6100000000000001 109.451 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -98.64 146.16 26.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.263 -0.898 . . . . 0.96999999999999997 109.938 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -141.65 136.75 31.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.311 -0.868 . . . . 0.59999999999999998 109.126 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.0 p -95.66 163.42 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -0.875 . . . . 1.1000000000000001 109.19 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -150.55 133.76 16.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.118 -0.989 . . . . 1.1000000000000001 109.972 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.08 128.04 34.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.625 -0.88 . . . . 1.3600000000000001 108.625 179.164 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -124.1 110.54 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.583 -0.698 . . . . 1.1699999999999999 109.737 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.68 151.65 39.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.514 -0.741 . . . . 2.79 109.512 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.64 138.01 6.2 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.311 -1.115 . . . . 0.47999999999999998 110.311 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -83.38 -47.04 11.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.48 -1.012 . . . . 3.2200000000000002 109.356 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.49 -43.35 88.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.21 109.331 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -61.22 -41.42 96.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.302 -0.874 . . . . 3.5499999999999998 109.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.52 -56.0 23.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.463 -0.773 . . . . 0.52000000000000002 109.789 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.95 -42.28 62.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.686 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.34 -52.11 63.14 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.258 -0.901 . . . . 1.1499999999999999 110.249 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.36 -48.18 82.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.33000000000000002 109.053 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.61 -43.57 62.57 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.265 -0.897 . . . . 3.02 109.5 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.09 -43.94 95.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 1.75 110.048 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.18 -42.59 98.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 1.0700000000000001 109.077 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.64 -54.29 48.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 1.21 109.589 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.435 ' CD ' ' HZ3' ' A' ' 351' ' ' LYS . 71.0 tt0 -63.45 -37.49 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 1.6899999999999999 109.98 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.53 45.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.199 -0.938 . . . . 1.0600000000000001 110.028 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.54 -40.06 93.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 1.0800000000000001 109.35 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.2 -36.38 77.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.884 . . . . 1.9299999999999999 109.443 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.35 -47.77 80.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.857 . . . . 1.1399999999999999 109.459 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.479 ' HZ3' ' CD ' ' A' ' 346' ' ' GLU . 17.3 ttmm -62.27 -46.51 88.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 2.1899999999999999 108.833 179.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.65 -38.03 71.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.769 . . . . 1.4299999999999999 109.136 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 1.3100000000000001 109.58 -179.883 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.38 -0.6 . . . . 2.1099999999999999 109.38 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.68 146.16 26.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.198 -0.939 . . . . 1.01 109.929 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -141.65 136.89 31.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.309 -0.869 . . . . 0.57999999999999996 109.04 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -95.82 163.4 13.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.274 -0.891 . . . . 1.1599999999999999 109.168 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.55 133.85 16.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.989 . . . . 1.1699999999999999 109.95 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.18 127.96 34.48 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.19 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.08 110.61 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.539 -0.726 . . . . 1.1299999999999999 109.718 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.64 151.63 39.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.594 -0.691 . . . . 2.8199999999999998 109.503 179.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.55 137.86 6.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.295 -1.122 . . . . 0.45000000000000001 110.295 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.12 -47.09 12.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -1.107 . . . . 3.0800000000000001 109.47 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.57 -43.15 89.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.972 . . . . 2.54 109.366 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.32 -41.26 96.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.392 -0.818 . . . . 4.1100000000000003 109.551 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.69 -55.96 24.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.56999999999999995 109.705 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.92 -42.28 62.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.693 -179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.37 -52.14 62.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.281 -0.887 . . . . 1.29 110.256 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.35 -48.1 83.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 0.40000000000000002 109.102 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.63 -43.64 62.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.28 -0.888 . . . . 3.8500000000000001 109.449 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.97 -44.02 94.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 1.78 110.013 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.24 -42.51 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.014 . . . . 1.1699999999999999 109.063 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.68 -54.23 49.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.298 -0.876 . . . . 1.2 109.578 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.434 ' CD ' ' HZ3' ' D' ' 351' ' ' LYS . 71.0 tt0 -63.54 -37.39 87.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 2.1200000000000001 110.05 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.52 46.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 1.0700000000000001 110.015 -179.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -40.05 93.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.188 -0.945 . . . . 1.1399999999999999 109.366 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.28 -36.35 77.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 2.0899999999999999 109.376 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.31 -47.77 80.88 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.848 . . . . 1.3799999999999999 109.485 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.464 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 17.4 ttmm -62.3 -46.49 88.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 2.6800000000000002 108.812 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.63 -38.04 71.55 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.526 -0.734 . . . . 1.3400000000000001 109.192 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 1.3 109.655 -179.907 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.428 -0.582 . . . . 1.6699999999999999 109.428 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.62 146.22 26.05 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.098 -1.001 . . . . 1.01 109.874 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -141.74 137.01 31.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.32 -0.862 . . . . 0.63 108.994 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -95.89 163.48 13.13 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.256 -0.903 . . . . 1.1299999999999999 109.098 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.65 133.77 16.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 1.1000000000000001 109.918 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.04 128.06 34.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 1.3700000000000001 108.619 179.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -124.13 110.53 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.573 -0.705 . . . . 1.1499999999999999 109.735 -179.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.65 151.63 39.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.553 -0.717 . . . . 2.77 109.54 179.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.59 138.05 6.19 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.285 -1.126 . . . . 0.42999999999999999 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.31 -47.04 11.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 3.1200000000000001 109.409 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.58 -43.32 89.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 2.2200000000000002 109.32 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.2 -41.28 96.56 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.367 -0.833 . . . . 3.5 109.559 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.61 -56.09 22.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.457 -0.777 . . . . 0.5 109.721 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.79 -42.39 62.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 109.66 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 19.0 ttp -63.33 -52.05 63.45 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.317 -0.864 . . . . 1.1399999999999999 110.308 -179.382 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.43 -48.07 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.091 -1.005 . . . . 0.32000000000000001 109.07 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.62 -43.64 62.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 2.96 109.481 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.02 -43.99 94.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 1.75 110.019 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.21 -42.58 98.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 1.0800000000000001 109.095 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -58.55 -54.38 47.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.338 -0.851 . . . . 1.22 109.59 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.464 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 71.1 tt0 -63.44 -37.34 86.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.317 -0.864 . . . . 1.73 110.085 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.64 44.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.955 . . . . 1.0700000000000001 110.041 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.45 -40.19 93.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -0.945 . . . . 1.1100000000000001 109.369 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.18 -36.39 77.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.176 -0.952 . . . . 1.9099999999999999 109.324 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.27 -47.76 81.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.425 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.434 ' HZ3' ' CD ' ' C' ' 346' ' ' GLU . 17.4 ttmm -62.35 -46.61 87.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 2.1499999999999999 108.707 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.59 -37.97 71.37 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.484 -0.76 . . . . 1.4399999999999999 109.196 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.2 65.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.3 109.532 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.166 -0.959 . . . . 1.3999999999999999 109.408 -180.0 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.14 0.495 . . . . 1.7 109.88 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 26.0 m-85 -99.0 158.9 15.34 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.4 -0.812 . . . . 1.04 109.906 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.55 140.66 35.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.342 -0.849 . . . . 0.65000000000000002 108.984 179.517 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 51.3 p -92.52 164.0 13.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 1.1399999999999999 109.395 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.08 131.76 14.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.148 -0.97 . . . . 1.0900000000000001 110.14 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.26 128.38 34.66 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.834 -0.802 . . . . 1.3700000000000001 108.834 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 67.2 mt -124.1 119.76 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.513 -0.742 . . . . 1.1499999999999999 109.955 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.3 152.68 36.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.516 -0.74 . . . . 2.79 109.943 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.89 138.87 1.93 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.607 -0.997 . . . . 0.45000000000000001 110.607 178.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.05 -44.09 14.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -1.04 . . . . 3.1600000000000001 109.374 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.58 -43.14 93.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.05 . . . . 2.2200000000000002 109.052 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 21.5 ttm180 -62.3 -41.45 98.53 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.261 -0.899 . . . . 3.54 109.243 179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.07 -57.16 12.84 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.483 -0.761 . . . . 0.5 109.594 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.21 -35.77 50.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 1.6599999999999999 109.721 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.24 -53.82 47.07 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 109.926 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.2 -41.97 97.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.18 -0.95 . . . . 0.34000000000000002 108.834 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -51.57 -43.79 62.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.341 -0.85 . . . . 2.9399999999999999 109.141 179.447 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.92 -45.2 95.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 1.74 109.793 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.66 -44.23 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.246 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.82 -49.89 75.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.183 -0.948 . . . . 1.22 109.301 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.71 -37.87 88.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.851 . . . . 1.72 109.587 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.11 61.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 1.0700000000000001 109.841 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.46 -44.62 96.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.152 -0.968 . . . . 1.0800000000000001 109.372 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.41 -35.13 73.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.544 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.58 -50.65 66.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 1.1499999999999999 109.457 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.67 -46.74 86.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 2.1400000000000001 108.875 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 1.2 m-20 -58.55 -43.31 89.27 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.436 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.62 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 1.3 109.773 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.146 -0.972 . . . . 1.4199999999999999 109.638 -179.915 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.13 0.491 . . . . 1.6100000000000001 109.911 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 26.1 m-85 -99.16 158.91 15.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.405 -0.81 . . . . 0.96999999999999997 109.875 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -140.54 140.6 35.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.413 -0.805 . . . . 0.59999999999999998 108.984 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 50.1 p -92.51 164.03 13.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.345 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.09 131.62 14.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 110.169 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.16 128.5 34.69 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.792 -0.818 . . . . 1.3600000000000001 108.792 179.328 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.22 119.62 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 O-C-N 121.44 -0.788 . . . . 1.1699999999999999 109.985 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 152.72 36.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.499 -0.751 . . . . 2.79 110.001 179.688 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.71 138.9 1.87 Allowed Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.203 -0.998 . . . . 0.47999999999999998 110.702 178.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -84.08 -44.0 14.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.324 -1.103 . . . . 3.2200000000000002 109.321 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.72 -43.06 94.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.952 -1.093 . . . . 2.21 109.072 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.48 98.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 3.5499999999999998 109.248 179.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -55.0 -57.19 12.68 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.596 -0.69 . . . . 0.52000000000000002 109.632 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.22 -35.86 50.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.6799999999999999 109.639 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.09 -53.78 48.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 109.973 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.33 -41.88 97.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.11 -0.994 . . . . 0.33000000000000002 108.814 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.571 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.6 OUTLIER -51.6 -43.78 62.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 3.02 109.104 179.489 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.02 -45.12 96.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.346 -0.846 . . . . 1.75 109.738 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.67 -44.24 97.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 109.281 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -57.82 -49.93 75.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 1.21 109.23 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.75 -37.91 88.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.249 -0.907 . . . . 1.6899999999999999 109.552 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.98 63.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.0600000000000001 109.88 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.62 -44.45 96.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 109.346 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.5 -35.12 73.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.489 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.64 66.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.248 -0.907 . . . . 1.1399999999999999 109.436 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.58 -46.71 87.06 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.344 -0.847 . . . . 2.1899999999999999 108.957 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 1.2 m-20 -58.6 -43.34 89.51 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.411 179.687 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 1.3100000000000001 109.809 -179.75 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.136 0.493 . . . . 2.1099999999999999 109.928 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 25.7 m-85 -99.05 158.94 15.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.379 -0.826 . . . . 1.01 109.881 179.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.61 35.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.57999999999999996 108.981 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 51.0 p -92.55 163.9 13.64 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.299 -0.876 . . . . 1.1599999999999999 109.298 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.02 131.77 15.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 110.154 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.27 128.46 34.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.399 -0.813 . . . . 1.8100000000000001 108.833 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.2 119.67 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.488 -0.757 . . . . 1.1299999999999999 109.95 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.17 152.74 36.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.459 -0.776 . . . . 2.8199999999999998 109.937 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.75 138.76 1.86 Allowed Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.198 -1.001 . . . . 0.45000000000000001 110.684 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -83.92 -44.04 14.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -1.063 . . . . 3.0800000000000001 109.43 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.57 -43.13 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.944 -1.098 . . . . 2.54 109.087 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.41 98.49 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.36 -0.838 . . . . 4.1100000000000003 109.235 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.18 -57.13 13.02 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.573 -0.705 . . . . 0.56999999999999995 109.554 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.28 -35.7 50.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.648 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.25 -53.78 47.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.214 -0.929 . . . . 1.29 109.933 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.3 -41.92 97.78 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.187 -0.945 . . . . 0.40000000000000002 108.809 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.561 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -51.58 -43.73 62.55 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.402 -0.811 . . . . 3.8500000000000001 109.213 179.412 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.05 -45.24 95.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 1.78 109.625 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.6 -44.17 97.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 1.1699999999999999 109.293 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.83 75.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.183 -0.948 . . . . 1.2 109.267 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.75 -38.04 88.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 2.1200000000000001 109.507 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.09 62.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.773 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.59 -44.36 97.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.412 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.61 -34.98 73.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.909 . . . . 2.0899999999999999 109.543 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.7 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.3799999999999999 109.445 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.54 -46.77 86.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.346 -0.846 . . . . 2.6800000000000002 108.971 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 1.2 m-20 -58.53 -43.28 89.17 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.585 -0.697 . . . . 1.3400000000000001 109.479 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 1.3 109.774 -179.72 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.165 0.507 . . . . 1.6699999999999999 109.898 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.6 m-85 -99.0 158.91 15.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.384 -0.822 . . . . 1.01 109.963 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.6 35.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.417 -0.802 . . . . 0.63 108.948 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 50.5 p -92.45 163.93 13.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.266 -0.896 . . . . 1.1299999999999999 109.382 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.01 131.76 15.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 110.148 -179.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.33 128.41 34.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 108.75 179.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.17 119.72 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.535 -0.728 . . . . 1.1499999999999999 109.94 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 152.76 36.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.792 . . . . 2.77 109.915 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.74 138.82 1.86 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 120.207 -0.997 . . . . 0.42999999999999999 110.685 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.12 -43.93 14.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.395 -1.062 . . . . 3.1200000000000001 109.323 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -43.13 93.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.031 -1.043 . . . . 2.2200000000000002 109.084 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 21.5 ttm180 -62.32 -41.44 98.54 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.298 -0.876 . . . . 3.5 109.258 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.01 -57.18 12.76 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.481 -0.762 . . . . 0.5 109.628 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.2 -35.81 50.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.261 -0.899 . . . . 1.6899999999999999 109.708 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.21 -53.82 47.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 109.927 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.252 -0.905 . . . . 0.32000000000000001 108.849 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.6 OUTLIER -51.54 -43.82 62.47 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.335 -0.853 . . . . 2.96 109.173 179.36 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.0 -45.23 95.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.378 -0.826 . . . . 1.75 109.713 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.55 -44.21 97.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 1.0800000000000001 109.319 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.86 75.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.155 -0.966 . . . . 1.22 109.221 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -37.99 88.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 1.73 109.498 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.1 62.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.783 -179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.48 -44.46 97.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 1.1100000000000001 109.397 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.58 -35.1 73.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.933 . . . . 1.9099999999999999 109.492 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.58 -50.8 65.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 109.413 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.339 -0.851 . . . . 2.1499999999999999 108.943 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.406 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 1.2 m-20 -58.56 -43.26 89.31 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.562 -0.711 . . . . 1.4399999999999999 109.463 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.67 64.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 1.3 109.684 -179.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 1.3999999999999999 109.541 -179.874 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.2 -0.667 . . . . 1.7 109.2 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 26.4 m-85 -96.46 149.12 22.09 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.236 -0.915 . . . . 1.04 110.328 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.54 137.87 35.8 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.544 -0.91 . . . . 0.65000000000000002 108.544 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.8 p -95.27 163.89 13.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.275 -0.89 . . . . 1.1399999999999999 108.991 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.13 131.8 15.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.043 -1.036 . . . . 1.0900000000000001 110.193 -179.106 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.65 125.39 32.44 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.354 -0.98 . . . . 1.3700000000000001 108.354 179.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.562 -0.711 . . . . 1.1499999999999999 109.726 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.402 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.5 ttt-85 -75.64 155.75 35.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.491 -0.755 . . . . 2.79 109.801 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.98 134.88 3.16 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.033 -1.227 . . . . 0.45000000000000001 110.033 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.87 -50.1 9.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -1.127 . . . . 3.1600000000000001 109.461 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.87 -40.85 81.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 2.2200000000000002 109.165 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.426 HH22 ' CG ' ' C' ' 352' ' ' ASP . 26.2 ttm180 -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 3.54 109.33 179.802 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.63 -56.46 18.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.554 -0.716 . . . . 0.5 109.585 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.31 -37.6 48.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 1.6599999999999999 109.867 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -63.51 -53.11 57.11 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.445 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.45 -42.95 99.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.039 -1.038 . . . . 0.34000000000000002 109.174 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.86 -42.5 62.67 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -0.934 . . . . 2.9399999999999999 109.298 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.09 -46.4 90.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.267 -0.896 . . . . 1.74 109.766 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.28 -44.07 97.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 109.355 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -57.38 -49.76 75.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.22 109.425 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.64 -37.35 86.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.895 . . . . 1.72 109.449 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.53 65.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 1.0700000000000001 109.798 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 48.9 mt -61.26 -43.38 98.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.217 -0.927 . . . . 1.0800000000000001 109.504 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.38 -35.98 74.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.406 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.61 -50.92 65.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.411 -0.806 . . . . 1.1499999999999999 109.171 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.45 -43.28 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 2.1400000000000001 109.07 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . 0.499 ' CG ' HH22 ' C' ' 337' ' ' ARG . 1.3 m-20 -56.56 -33.45 66.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.571 -0.706 . . . . 1.4299999999999999 109.449 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -37.77 82.5 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 1.3 109.736 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 1.4199999999999999 109.593 -179.843 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.222 -0.658 . . . . 1.6100000000000001 109.222 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 25.9 m-85 -96.41 149.02 22.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.134 -0.979 . . . . 0.96999999999999997 110.417 -179.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.47 137.73 35.81 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.602 -0.888 . . . . 0.59999999999999998 108.602 179.156 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.19 163.93 13.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.279 -0.888 . . . . 1.1000000000000001 108.964 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.15 131.72 15.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 1.1000000000000001 110.256 -179.091 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.47 32.52 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.304 -0.999 . . . . 1.3600000000000001 108.304 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.92 112.02 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.542 -0.724 . . . . 1.1699999999999999 109.697 -179.161 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.75 155.79 35.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.484 -0.76 . . . . 2.79 109.709 179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.92 134.87 3.14 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.07 -1.212 . . . . 0.47999999999999998 110.07 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.93 -50.08 9.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.364 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.84 -40.87 81.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 2.21 109.148 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.459 HH22 ' CG ' ' D' ' 352' ' ' ASP . 26.1 ttm180 -62.03 -43.97 97.7 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 3.5499999999999998 109.349 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.62 -56.38 19.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.568 -0.708 . . . . 0.52000000000000002 109.625 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.43 -37.53 49.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.877 . . . . 1.6799999999999999 109.845 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.64 -53.04 57.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.331 -0.856 . . . . 1.1499999999999999 110.414 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.49 -42.81 99.36 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.09 -1.006 . . . . 0.33000000000000002 109.227 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.88 -42.46 62.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.263 -0.898 . . . . 3.02 109.348 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.09 -46.46 90.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 1.75 109.693 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.23 -44.14 97.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 1.0700000000000001 109.351 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -57.42 -49.79 75.09 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 1.21 109.269 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.62 -37.39 86.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.6899999999999999 109.434 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.73 -52.58 65.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.484 -0.76 . . . . 1.0600000000000001 109.86 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' B' ' 352' ' ' ASP . 49.0 mt -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 1.0800000000000001 109.421 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.54 -35.93 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 1.9299999999999999 109.333 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.64 -50.81 65.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 1.1399999999999999 109.209 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.58 -43.19 99.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.88 . . . . 2.1899999999999999 109.125 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.46 ' CG ' HH22 ' D' ' 337' ' ' ARG . 1.3 m-20 -56.57 -33.53 66.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.376 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 1.3100000000000001 109.729 -179.871 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.202 -0.666 . . . . 2.1099999999999999 109.202 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.6 m-85 -96.32 149.01 22.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.189 -0.944 . . . . 1.01 110.439 -179.446 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.51 137.65 35.67 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.579 -0.897 . . . . 0.57999999999999996 108.579 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.2 p -95.09 163.84 13.13 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.248 -0.908 . . . . 1.1599999999999999 109.048 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.05 131.8 15.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.987 . . . . 1.1699999999999999 110.175 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.64 125.26 32.32 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 179.078 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.95 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.505 -0.747 . . . . 1.1299999999999999 109.718 -179.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.4 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.5 ttt-85 -75.52 155.9 35.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 2.8199999999999998 109.728 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.77 134.94 3.09 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.062 -1.215 . . . . 0.45000000000000001 110.062 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.98 -50.03 9.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 3.0800000000000001 109.486 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.93 -40.74 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 2.54 109.141 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.499 HH22 ' CG ' ' A' ' 352' ' ' ASP . 26.2 ttm180 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.365 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.543 -0.723 . . . . 0.56999999999999995 109.604 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.28 -37.66 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.6599999999999999 109.846 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.58 -53.04 57.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.273 -0.892 . . . . 1.29 110.428 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.49 -42.91 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.119 -0.988 . . . . 0.40000000000000002 109.168 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -51.85 -42.4 62.57 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.193 -0.942 . . . . 3.8500000000000001 109.374 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.13 -46.4 90.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.887 . . . . 1.78 109.73 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.24 -44.17 97.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.1699999999999999 109.302 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.42 -49.68 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.26 -0.9 . . . . 1.2 109.365 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.67 -37.38 86.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.1200000000000001 109.446 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.51 65.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 1.0700000000000001 109.833 -179.718 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 48.5 mt -61.26 -43.23 99.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.966 . . . . 1.1399999999999999 109.475 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.59 -35.96 75.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 2.0899999999999999 109.347 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.66 -50.84 65.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 1.3799999999999999 109.152 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.41 -43.24 99.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 2.6800000000000002 109.172 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.426 ' CG ' HH22 ' A' ' 337' ' ' ARG . 1.3 m-20 -56.69 -33.36 66.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.58 -0.7 . . . . 1.3400000000000001 109.412 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 1.3 109.743 -179.923 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.238 -0.652 . . . . 1.6699999999999999 109.238 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.9 m-85 -96.36 149.02 22.16 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.151 -0.968 . . . . 1.01 110.345 -179.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.49 137.72 35.76 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.666 -0.864 . . . . 0.63 108.666 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.17 163.84 13.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.239 -0.913 . . . . 1.1299999999999999 109.012 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.04 131.82 16.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 1.1000000000000001 110.163 -179.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.4 32.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.408 -0.96 . . . . 1.3700000000000001 108.408 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.95 111.97 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.543 -0.723 . . . . 1.1499999999999999 109.74 -179.151 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.55 155.84 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.426 -0.796 . . . . 2.77 109.7 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.9 134.84 3.12 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.069 -1.212 . . . . 0.42999999999999999 110.069 179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.83 -50.16 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -1.07 . . . . 3.1200000000000001 109.438 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.83 -40.89 81.11 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.971 . . . . 2.2200000000000002 109.135 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.46 HH22 ' CG ' ' B' ' 352' ' ' ASP . 26.2 ttm180 -62.13 -43.85 97.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 3.5 109.346 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.71 -56.32 20.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.523 -0.736 . . . . 0.5 109.64 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.34 -37.63 48.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.389 -0.819 . . . . 1.6899999999999999 109.851 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.55 -53.1 57.1 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 110.442 -179.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.047 -1.033 . . . . 0.32000000000000001 109.179 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.9 -42.41 62.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.96 109.353 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.07 -46.46 90.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.75 109.757 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.33 -44.01 97.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.216 -0.928 . . . . 1.0800000000000001 109.36 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.34 -49.82 74.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.262 -0.899 . . . . 1.22 109.362 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.72 -37.28 85.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.333 -0.854 . . . . 1.73 109.416 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -52.59 65.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 1.0700000000000001 109.893 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' D' ' 352' ' ' ASP . 49.6 mt -61.3 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 1.1100000000000001 109.39 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.4 -35.94 74.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.361 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.69 -50.86 65.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.827 . . . . 1.1699999999999999 109.156 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.5 -43.18 99.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 2.1499999999999999 109.061 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.459 ' CG ' HH22 ' B' ' 337' ' ' ARG . 1.3 m-20 -56.61 -33.37 66.19 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.426 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.78 82.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.914 . . . . 1.3 109.669 -179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 1.3999999999999999 109.692 -179.889 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.468 -0.567 . . . . 1.7 109.468 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.16 159.46 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -0.91 . . . . 1.04 109.778 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.46 -170.75 3.06 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 109.387 -179.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.1 118.85 5.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.317 -0.864 . . . . 1.1399999999999999 109.007 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.34 137.99 42.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.541 -0.725 . . . . 1.0900000000000001 109.709 -179.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.77 130.46 34.84 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.59 114.03 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.5 134.35 40.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.566 -0.708 . . . . 2.79 109.393 179.466 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.06 144.17 12.57 Favored Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.881 -1.288 . . . . 0.45000000000000001 109.881 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -84.97 -55.68 3.94 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.421 -1.046 . . . . 3.1600000000000001 109.72 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.19 -37.02 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.306 -0.871 . . . . 2.2200000000000002 109.482 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.64 -45.04 95.74 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.349 -0.844 . . . . 3.54 109.161 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.47 -57.81 10.34 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.53 -0.731 . . . . 0.5 109.763 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.61 -37.19 48.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.671 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -53.15 56.1 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 1.1499999999999999 110.128 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -45.07 95.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.228 -0.92 . . . . 0.34000000000000002 108.969 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.47 -43.22 55.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.167 -0.958 . . . . 2.9399999999999999 109.293 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.89 -45.43 92.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 1.74 109.843 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.56 -45.27 94.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.178 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.16 -49.79 75.77 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.319 -0.863 . . . . 1.22 109.464 179.825 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.76 -36.22 82.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 1.72 109.673 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.01 51.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 1.0700000000000001 109.899 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.79 -43.92 97.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 1.0800000000000001 109.427 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.49 72.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.406 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.3 -48.64 74.86 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 1.1499999999999999 109.422 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.9 -47.23 84.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.374 -0.829 . . . . 2.1400000000000001 108.863 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.53 -41.69 81.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.352 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.51 64.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 1.3 109.731 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 1.4199999999999999 109.687 -179.877 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.462 -0.57 . . . . 1.6100000000000001 109.462 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -93.12 159.49 15.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.695 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.48 -170.7 3.05 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.316 -0.865 . . . . 0.59999999999999998 109.381 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.08 118.91 5.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 109.037 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.6 tp -105.39 137.95 42.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.45 -0.781 . . . . 1.1000000000000001 109.723 -179.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.81 130.43 34.87 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.682 -0.858 . . . . 1.3600000000000001 108.682 178.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.6 113.96 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.405 -0.809 . . . . 1.1699999999999999 109.707 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.59 134.34 40.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.606 -0.684 . . . . 2.79 109.332 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.2 12.52 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 109.864 -1.294 . . . . 0.47999999999999998 109.864 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.03 -55.69 3.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -1.076 . . . . 3.2200000000000002 109.747 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.23 -37.01 71.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.321 -0.862 . . . . 2.21 109.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.54 -45.07 95.73 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.349 -0.845 . . . . 3.5499999999999998 109.14 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.55 -57.76 10.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.564 -0.71 . . . . 0.52000000000000002 109.724 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.58 -37.33 49.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 1.6799999999999999 109.679 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.53 -53.12 56.78 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 110.146 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.32 -45.06 96.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.173 -0.954 . . . . 0.33000000000000002 108.963 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.51 -43.16 55.65 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 3.02 109.353 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.84 -45.48 92.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.75 109.856 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.66 -45.21 95.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 109.188 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.09 -49.84 75.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 1.21 109.445 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.618 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.96 52.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 1.0600000000000001 109.844 -179.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.73 -44.07 97.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.0800000000000001 109.433 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.25 -34.44 72.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.52 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -48.67 74.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 1.1399999999999999 109.391 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.83 -47.32 83.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.921 . . . . 2.1899999999999999 108.804 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.46 -41.77 81.21 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.553 -0.717 . . . . 1.4299999999999999 109.357 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 1.3100000000000001 109.751 -179.736 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.47 -0.567 . . . . 2.1099999999999999 109.47 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -93.15 159.42 15.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.306 -0.872 . . . . 1.01 109.775 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.42 -170.74 3.06 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.449 -0.782 . . . . 0.57999999999999996 109.329 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -153.12 118.84 5.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.258 -0.901 . . . . 1.1599999999999999 108.983 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.8 tp -105.3 137.87 42.41 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.498 -0.751 . . . . 1.1699999999999999 109.794 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.72 130.43 34.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.602 -0.888 . . . . 1.8100000000000001 108.602 178.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.0 mt -123.63 113.97 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.341 -0.849 . . . . 1.1299999999999999 109.739 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.19 40.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.557 -0.715 . . . . 2.8199999999999998 109.45 179.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.23 12.54 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.911 -1.276 . . . . 0.45000000000000001 109.911 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.0 -55.77 3.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.265 -1.138 . . . . 3.0800000000000001 109.646 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.18 -36.99 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 2.54 109.48 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.66 -45.01 95.86 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.306 -0.871 . . . . 4.1100000000000003 109.19 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.51 -57.81 10.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.535 -0.728 . . . . 0.56999999999999995 109.735 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.62 -37.24 49.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.73 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.48 -53.22 55.44 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.167 -0.958 . . . . 1.29 110.154 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.2 -45.2 95.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.40000000000000002 108.925 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.5 -43.2 55.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.302 -0.873 . . . . 3.8500000000000001 109.274 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.82 -45.57 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.78 109.819 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.49 -45.23 95.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -0.91 . . . . 1.1699999999999999 109.239 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.17 -49.75 75.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.231 -0.918 . . . . 1.2 109.478 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.75 -36.36 82.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1200000000000001 109.617 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.39 -54.19 49.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 109.939 -179.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.7 -43.85 98.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 1.1399999999999999 109.544 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.35 -34.49 72.44 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.466 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.24 -48.68 74.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.179 -0.95 . . . . 1.3799999999999999 109.437 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.89 -47.22 84.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.346 -0.846 . . . . 2.6800000000000002 108.821 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -57.56 -41.71 81.57 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.563 -0.71 . . . . 1.3400000000000001 109.353 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.383 -0.823 . . . . 1.3 109.725 -179.746 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.455 -0.572 . . . . 1.6699999999999999 109.455 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.17 159.52 15.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.292 -0.88 . . . . 1.01 109.684 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.54 -170.76 3.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.832 . . . . 0.63 109.332 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.11 118.73 5.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.197 -0.939 . . . . 1.1299999999999999 109.106 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.26 137.89 42.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.553 -0.717 . . . . 1.1000000000000001 109.764 -179.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.82 130.56 34.83 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.546 -0.909 . . . . 1.3700000000000001 108.546 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.74 113.92 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.407 -0.808 . . . . 1.1499999999999999 109.664 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.38 40.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.589 -0.695 . . . . 2.77 109.406 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.1 144.24 12.6 Favored Glycine 0 N--CA 1.5 2.905 0 N-CA-C 109.86 -1.296 . . . . 0.42999999999999999 109.86 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.08 -55.68 3.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.391 -1.064 . . . . 3.1200000000000001 109.659 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.828 . . . . 2.2200000000000002 109.434 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.7 -45.03 95.75 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.297 -0.877 . . . . 3.5 109.171 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.56 -57.81 10.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.601 -0.687 . . . . 0.5 109.634 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.55 -37.32 48.97 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 109.675 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.52 -53.2 55.65 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.234 -0.916 . . . . 1.1399999999999999 110.133 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.24 -45.13 95.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.95 . . . . 0.32000000000000001 108.94 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.53 -43.18 55.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.222 -0.924 . . . . 2.96 109.31 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.9 -45.49 92.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.75 109.796 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.53 -45.31 94.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 1.0800000000000001 109.233 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.1 -49.81 75.67 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.335 -0.853 . . . . 1.22 109.458 179.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.76 -36.19 82.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.262 -0.899 . . . . 1.73 109.63 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.02 51.72 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.88 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 1.1100000000000001 109.472 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.53 72.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.438 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.2 -48.74 74.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 1.1699999999999999 109.46 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.88 -47.26 84.08 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.352 -0.843 . . . . 2.1499999999999999 108.767 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.5 -41.69 81.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.576 -0.702 . . . . 1.4399999999999999 109.378 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.808 . . . . 1.3 109.737 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.088 -1.008 . . . . 1.3999999999999999 109.682 -179.923 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.29 0.567 . . . . 1.7 110.41 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.22 161.66 13.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.568 -0.708 . . . . 1.04 109.464 179.166 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.38 -170.39 2.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.345 -0.847 . . . . 0.65000000000000002 109.384 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.9 p -153.96 125.03 7.32 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.089 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.7 tp -116.8 139.61 50.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.507 -0.746 . . . . 1.0900000000000001 109.947 -178.657 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 17.8 tt0 -87.66 129.68 35.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.656 -0.653 . . . . 1.3700000000000001 109.278 179.147 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -124.1 118.08 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.546 -0.721 . . . . 1.1499999999999999 109.082 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.53 152.67 39.31 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 2.79 109.577 -179.891 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 86.06 137.61 4.6 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.537 -1.025 . . . . 0.45000000000000001 110.537 178.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.72 -51.76 11.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.511 -0.993 . . . . 3.1600000000000001 109.278 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.0 -38.6 76.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 2.2200000000000002 109.175 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.652 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.81 -44.94 90.94 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.357 -0.839 . . . . 3.54 109.723 179.884 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.41 -57.42 11.92 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.526 -0.734 . . . . 0.5 109.729 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -51.45 -39.95 58.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 1.6599999999999999 110.145 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -63.21 -51.1 67.66 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.071 -1.018 . . . . 1.1499999999999999 110.249 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.01 -44.6 96.37 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.103 -0.998 . . . . 0.34000000000000002 109.063 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -50.86 -42.74 59.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 2.9399999999999999 109.175 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -59.67 -45.79 90.99 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.224 -0.922 . . . . 1.74 109.569 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.58 -48.42 81.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 1.0700000000000001 109.209 179.781 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 45.8 t-20 -58.2 -48.64 79.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.387 -0.82 . . . . 1.22 109.654 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -61.56 -38.19 86.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 1.72 109.463 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.78 -52.49 65.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.0700000000000001 109.723 -179.644 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.86 -41.55 97.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 1.0800000000000001 109.356 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.28 -38.02 76.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.196 179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.69 -49.19 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.837 . . . . 1.1499999999999999 109.242 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.03 -40.16 94.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.853 . . . . 2.1400000000000001 108.982 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.32 -34.53 66.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.5 -0.75 . . . . 1.4299999999999999 109.526 179.689 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.64 75.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 1.3 109.602 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 1.4199999999999999 109.524 -179.877 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.378 0.608 . . . . 1.6100000000000001 110.292 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -100.13 161.82 13.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.53 -0.731 . . . . 0.96999999999999997 109.343 179.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.5 -170.4 2.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.397 -0.815 . . . . 0.59999999999999998 109.371 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.8 p -153.95 125.19 7.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.398 -0.814 . . . . 1.1000000000000001 109.037 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.82 139.54 50.48 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.556 0.693 . . . . 1.1000000000000001 109.847 -178.613 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.506 ' O ' ' ND2' ' D' ' 345' ' ' ASN . 17.7 tt0 -87.68 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.571 -0.705 . . . . 1.3600000000000001 109.27 179.059 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -124.16 118.24 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.503 -0.748 . . . . 1.1699999999999999 109.104 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.586 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.65 152.74 39.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.211 -0.93 . . . . 2.79 109.572 -179.89 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.495 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 85.75 137.54 4.4 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.509 -1.037 . . . . 0.47999999999999998 110.509 178.626 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -75.39 -51.98 11.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.621 -0.929 . . . . 3.2200000000000002 109.308 179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.03 -38.34 76.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 2.21 109.188 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.646 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.92 -45.05 91.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.217 -0.927 . . . . 3.5499999999999998 109.712 179.8 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.28 -57.47 11.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.518 -0.739 . . . . 0.52000000000000002 109.72 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.41 -40.01 58.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 110.152 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.23 -51.06 67.79 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.116 -0.99 . . . . 1.1499999999999999 110.206 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.01 -44.65 96.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.188 -0.945 . . . . 0.33000000000000002 109.051 -179.691 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -50.68 -42.79 57.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.251 -0.905 . . . . 3.02 109.194 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -59.76 -45.79 91.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.341 -0.849 . . . . 1.75 109.499 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.59 -48.41 81.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 1.0700000000000001 109.27 179.761 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 45.6 t-20 -58.11 -48.72 79.34 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 1.21 109.625 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.6 -38.1 86.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.6899999999999999 109.504 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.77 -52.52 65.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.329 -0.857 . . . . 1.0600000000000001 109.756 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.84 -41.53 97.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.964 . . . . 1.0800000000000001 109.423 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -58.29 -38.04 76.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.9299999999999999 109.198 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.77 -49.03 74.56 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.239 -0.913 . . . . 1.1399999999999999 109.279 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.05 -40.16 94.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 2.1899999999999999 108.965 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -56.41 -34.47 66.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.5 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 1.3100000000000001 109.653 -179.724 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.397 0.618 . . . . 2.1099999999999999 110.34 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.22 161.64 13.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.486 -0.759 . . . . 1.01 109.424 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.27 -170.37 2.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.322 -0.862 . . . . 0.57999999999999996 109.405 -179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.0 p -154.01 124.95 7.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.308 -0.87 . . . . 1.1599999999999999 109.096 -179.673 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.72 139.66 50.3 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.665 -0.647 . . . . 1.1699999999999999 109.963 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.483 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 17.8 tt0 -87.69 129.67 35.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.634 -0.666 . . . . 1.8100000000000001 109.273 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -124.05 118.2 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.469 -0.769 . . . . 1.1299999999999999 109.103 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.571 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.58 152.7 39.25 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.231 -0.918 . . . . 2.8199999999999998 109.565 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.502 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 86.05 137.8 4.66 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.494 -1.042 . . . . 0.45000000000000001 110.494 178.6 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.78 -51.92 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.479 -1.012 . . . . 3.0800000000000001 109.278 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.63 76.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.908 . . . . 2.54 109.172 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.652 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.77 -45.1 90.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.251 -0.906 . . . . 4.1100000000000003 109.624 179.901 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -57.49 11.6 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.518 -0.739 . . . . 0.56999999999999995 109.725 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.4 -40.05 58.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 110.093 -179.571 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.062 -1.024 . . . . 1.29 110.211 -179.058 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.237 -0.914 . . . . 0.40000000000000002 109.067 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.7 -42.82 57.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 3.8500000000000001 109.236 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.192 -0.942 . . . . 1.78 109.553 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.64 -48.4 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 1.1699999999999999 109.209 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 45.5 t-20 -58.14 -48.67 79.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 1.2 109.636 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.56 -38.07 86.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.461 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.62 64.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.82 -179.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.76 -41.54 97.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 109.375 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -58.26 -38.11 76.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 2.0899999999999999 109.254 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.74 -49.09 74.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 1.3799999999999999 109.204 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.06 -40.15 94.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.373 -0.83 . . . . 2.6800000000000002 108.981 179.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.44 -34.59 66.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.529 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 1.3 109.69 -179.762 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.289 0.566 . . . . 1.6699999999999999 110.313 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.34 161.42 13.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 1.01 109.325 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.15 -170.48 2.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.271 -0.893 . . . . 0.63 109.332 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -153.75 125.29 7.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.1299999999999999 109.008 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.9 139.54 50.51 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.605 -0.685 . . . . 1.1000000000000001 109.901 -178.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.486 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 17.7 tt0 -87.69 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.215 -0.661 . . . . 1.3700000000000001 109.215 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -124.12 118.18 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.471 -0.768 . . . . 1.1499999999999999 109.119 179.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.596 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.66 152.69 39.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 2.77 109.513 -179.826 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 85.98 137.8 4.62 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.466 -1.054 . . . . 0.42999999999999999 110.466 178.585 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -75.63 -52.02 11.49 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.466 -1.02 . . . . 3.1200000000000001 109.275 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.49 76.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 2.2200000000000002 109.166 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.645 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.93 -44.97 91.44 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 3.5 109.725 179.891 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.32 -57.37 12.12 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.595 -0.69 . . . . 0.5 109.793 -179.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.44 -40.06 58.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 1.6899999999999999 110.078 -179.647 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -63.33 -50.93 68.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.059 -1.026 . . . . 1.1399999999999999 110.216 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.01 -44.6 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.148 -0.97 . . . . 0.32000000000000001 109.136 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.81 -42.79 58.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.96 109.201 179.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -59.66 -45.75 91.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 1.75 109.548 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.62 -48.42 80.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.193 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 45.6 t-20 -58.23 -48.63 79.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 1.22 109.661 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.54 -38.1 86.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.892 . . . . 1.73 109.453 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.74 -52.65 64.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 1.0700000000000001 109.797 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.79 -41.59 97.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 1.1100000000000001 109.279 -179.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.31 -37.99 76.19 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.185 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.79 -49.16 74.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.1699999999999999 109.226 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.332 -0.855 . . . . 2.1499999999999999 108.944 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.46 -34.53 66.98 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.519 -0.738 . . . . 1.4399999999999999 109.567 179.677 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.51 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.163 -0.961 . . . . 1.3 109.698 -179.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 1.3999999999999999 109.497 -179.873 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.262 0.553 . . . . 1.7 109.732 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -93.75 156.74 16.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 1.04 109.301 179.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.22 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.226 -0.921 . . . . 0.65000000000000002 109.338 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.3 p -150.35 151.07 32.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.307 -0.871 . . . . 1.1399999999999999 108.683 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.4 132.83 23.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 1.0900000000000001 109.601 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.53 127.6 34.13 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.586 -0.894 . . . . 1.3700000000000001 108.586 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.42 116.34 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.222 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.68 154.57 36.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.475 -0.766 . . . . 2.79 110.109 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 136.68 2.47 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.566 -1.014 . . . . 0.45000000000000001 110.566 179.02 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 41.4 ttm-85 -81.64 -45.76 15.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.441 -1.034 . . . . 3.1600000000000001 109.078 179.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -57.64 -47.72 81.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.064 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -62.55 -42.84 99.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.311 -0.868 . . . . 3.54 109.038 179.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -55.34 -58.47 7.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.707 -0.621 . . . . 0.5 109.768 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.29 -37.28 46.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.346 -0.846 . . . . 1.6599999999999999 109.93 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.86 -50.59 68.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.338 -179.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.028 -1.045 . . . . 0.34000000000000002 109.387 -179.675 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 342' ' ' ARG . 12.9 ttm-85 -51.3 -42.67 61.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.071 -1.018 . . . . 2.9399999999999999 109.176 179.57 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.3 -45.21 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.74 109.945 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.19 -43.42 98.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.107 -0.996 . . . . 1.0700000000000001 109.29 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.34 -51.29 70.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.203 -0.936 . . . . 1.22 109.348 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.67 -34.44 77.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 1.72 109.521 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.92 -53.36 59.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.352 -0.843 . . . . 1.0700000000000001 109.857 -179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.24 -43.71 98.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 1.0800000000000001 109.286 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -58.34 -39.86 80.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.16 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.3 -37.81 88.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.247 -0.908 . . . . 1.1499999999999999 109.035 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.89 -43.8 98.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.597 -0.89 . . . . 2.1400000000000001 108.597 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.29 -36.09 68.24 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.252 -0.648 . . . . 1.4299999999999999 109.252 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.87 66.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.316 -0.865 . . . . 1.3 109.037 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 1.4199999999999999 109.262 179.676 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.232 0.539 . . . . 1.6100000000000001 109.751 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -93.75 156.8 16.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.917 . . . . 0.96999999999999997 109.276 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.28 -174.18 3.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.59999999999999998 109.281 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -150.32 151.02 32.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 108.693 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.32 132.81 23.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 1.1000000000000001 109.61 -178.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.58 34.14 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.236 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.6 mt -123.39 116.37 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.549 -0.719 . . . . 1.1699999999999999 109.237 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.67 154.56 36.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 2.79 110.092 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.28 136.7 2.43 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.567 -1.013 . . . . 0.47999999999999998 110.567 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 41.5 ttm-85 -81.68 -45.71 15.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -1.037 . . . . 3.2200000000000002 109.051 179.421 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.69 -47.68 81.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.884 . . . . 2.21 109.104 179.815 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.5 -43.0 99.88 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 3.5499999999999998 108.988 179.734 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.3 -58.43 7.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.674 -0.641 . . . . 0.52000000000000002 109.785 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.35 -37.28 47.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.908 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.73 -50.62 68.42 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.197 -0.94 . . . . 1.1499999999999999 110.456 -179.312 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.66 -43.47 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.076 -1.015 . . . . 0.33000000000000002 109.41 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -51.26 -42.79 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.082 . . . . 3.02 109.124 179.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.23 -45.15 95.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.32 -0.863 . . . . 1.75 109.999 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.2 -43.53 98.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.261 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.2 -51.39 69.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.213 -0.929 . . . . 1.21 109.35 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.67 -34.43 77.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.875 . . . . 1.6899999999999999 109.549 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -53.45 58.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.369 -0.832 . . . . 1.0600000000000001 109.9 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.25 -43.68 98.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 109.194 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.45 -39.82 80.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.164 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.31 -37.72 88.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.314 -0.866 . . . . 1.1399999999999999 109.071 179.689 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.94 -43.84 98.0 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.588 -0.893 . . . . 2.1899999999999999 108.588 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.24 -36.1 68.13 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.228 -0.656 . . . . 1.4299999999999999 109.228 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 1.3100000000000001 109.021 179.743 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.223 0.535 . . . . 2.1099999999999999 109.744 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.75 156.79 16.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.306 -0.871 . . . . 1.01 109.289 179.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.26 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.57999999999999996 109.304 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -150.39 151.02 32.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.27 -0.894 . . . . 1.1599999999999999 108.681 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.5 tp -143.37 132.83 23.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.3 -0.875 . . . . 1.1699999999999999 109.584 -178.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.6 34.15 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.617 -0.883 . . . . 1.8100000000000001 108.617 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.4 116.34 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.534 -0.729 . . . . 1.1299999999999999 109.193 -179.543 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.66 154.59 36.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.747 . . . . 2.8199999999999998 110.06 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 136.7 2.46 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.507 -1.037 . . . . 0.45000000000000001 110.507 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -81.68 -45.72 15.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -1.063 . . . . 3.0800000000000001 109.055 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.68 -47.69 81.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.85 . . . . 2.54 109.088 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.44 -42.98 99.86 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.371 -0.83 . . . . 4.1100000000000003 109.123 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.24 -58.45 7.63 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.556 -0.715 . . . . 0.56999999999999995 109.822 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.42 -37.11 46.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.964 -179.574 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.89 -50.55 68.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.19 -0.944 . . . . 1.29 110.407 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.45 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.965 -1.084 . . . . 0.40000000000000002 109.422 -179.718 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -51.23 -42.84 61.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.031 -1.043 . . . . 3.8500000000000001 109.091 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.27 -45.23 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.78 109.923 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.16 -43.47 98.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 1.1699999999999999 109.302 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.38 70.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.2 109.326 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.34 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.561 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.92 -53.45 58.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 1.0700000000000001 109.854 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.1 -43.77 98.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.096 -1.003 . . . . 1.1399999999999999 109.255 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.37 -39.89 80.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 2.0899999999999999 109.108 179.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -37.77 88.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 1.3799999999999999 108.98 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.92 -43.78 98.13 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.605 -0.887 . . . . 2.6800000000000002 108.605 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -56.16 -36.22 68.07 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.296 -0.631 . . . . 1.3400000000000001 109.296 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.317 -0.864 . . . . 1.3 109.053 179.822 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.342 0.591 . . . . 1.6699999999999999 109.679 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.68 156.78 16.51 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.203 -0.936 . . . . 1.01 109.306 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.25 -174.26 3.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.262 -0.899 . . . . 0.63 109.266 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.8 p -150.34 151.03 32.25 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.627 -0.879 . . . . 1.1299999999999999 108.627 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.1 tp -143.32 132.88 23.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 1.1000000000000001 109.548 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.7 127.62 34.19 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.249 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.4 116.32 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.444 -0.785 . . . . 1.1499999999999999 109.145 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -75.68 154.67 36.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.482 -0.762 . . . . 2.77 110.093 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.26 136.63 2.41 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.623 -0.991 . . . . 0.42999999999999999 110.623 179.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -81.67 -45.67 15.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -1.062 . . . . 3.1200000000000001 109.067 179.445 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -57.67 -47.67 81.67 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.34 -0.85 . . . . 2.2200000000000002 109.13 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.391 -0.818 . . . . 3.5 109.04 179.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.33 -58.42 7.8 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.58 -0.7 . . . . 0.5 109.773 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.41 -37.17 47.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 110.014 -179.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.74 -50.63 68.35 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.25 -0.906 . . . . 1.1399999999999999 110.455 -179.326 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.027 -1.046 . . . . 0.32000000000000001 109.393 -179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -51.31 -42.75 61.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 2.96 109.089 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.34 -45.14 95.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 1.75 109.953 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.22 -43.47 98.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 1.0800000000000001 109.274 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.26 70.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.935 . . . . 1.22 109.421 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.49 77.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 1.73 109.556 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.46 58.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 109.827 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.16 -43.78 98.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 1.1100000000000001 109.201 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.32 -39.83 80.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 1.9099999999999999 109.203 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.39 -37.78 88.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.1699999999999999 108.977 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.93 -43.76 98.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.241 -0.912 . . . . 2.1499999999999999 108.609 179.276 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.3 -36.11 68.29 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.247 -0.649 . . . . 1.4399999999999999 109.247 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -25.71 66.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 1.3 109.172 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.814 . . . . 1.3999999999999999 109.198 179.679 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.25 0.548 . . . . 1.7 109.679 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.8 155.23 16.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.3 -0.875 . . . . 1.04 109.733 179.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.83 139.79 34.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.327 -0.858 . . . . 0.65000000000000002 109.068 179.397 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.9 p -96.4 163.89 12.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 1.1399999999999999 108.894 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.7 134.87 18.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 1.0900000000000001 110.045 -179.273 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.04 127.58 34.27 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.79 -0.819 . . . . 1.3700000000000001 108.79 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.3 mt -123.42 111.17 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.524 -0.735 . . . . 1.1499999999999999 109.198 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.54 40.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 2.79 110.027 -179.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.19 135.98 4.13 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.468 -1.053 . . . . 0.45000000000000001 110.468 179.098 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -38.4 31.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -1.037 . . . . 3.1600000000000001 108.902 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 9.9 mp0 -59.28 -46.88 87.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 2.2200000000000002 109.183 179.706 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.95 -39.86 93.55 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.529 -0.732 . . . . 3.54 109.506 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.04 -53.38 56.58 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.431 -0.793 . . . . 0.5 109.598 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.13 -42.74 66.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.798 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.9 -50.47 70.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.313 -0.867 . . . . 1.1499999999999999 110.23 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.26 -45.93 92.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 0.34000000000000002 108.986 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.83 -42.83 62.85 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.217 -0.927 . . . . 2.9399999999999999 109.38 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.97 -45.32 95.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 1.74 109.985 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 109.252 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.34 -50.98 71.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 1.22 109.485 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.63 99.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 1.72 109.823 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.48 69.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0700000000000001 109.757 -179.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.26 -45.46 93.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 109.392 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.79 -34.46 73.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.226 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.86 -48.73 75.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.433 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.65 -43.67 98.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.4 -0.812 . . . . 2.1400000000000001 109.017 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -32.49 64.26 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.696 -0.627 . . . . 1.4299999999999999 109.404 179.741 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.19 78.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.3 109.672 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 1.4199999999999999 109.565 -179.775 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.229 0.538 . . . . 1.6100000000000001 109.685 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.76 155.31 16.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.26 -0.9 . . . . 0.96999999999999997 109.744 179.789 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -140.89 139.78 34.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.319 -0.863 . . . . 0.59999999999999998 109.029 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.37 163.93 12.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 1.1000000000000001 108.86 179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.72 134.98 18.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 1.1000000000000001 110.047 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -85.09 127.63 34.31 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.839 -0.8 . . . . 1.3600000000000001 108.839 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.44 111.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.584 0.707 . . . . 1.1699999999999999 109.215 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.58 40.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 2.79 110.05 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.08 136.02 4.08 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.462 -1.055 . . . . 0.47999999999999998 110.462 179.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.26 -38.4 31.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -1.084 . . . . 3.2200000000000002 108.863 179.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 9.9 mp0 -59.32 -46.84 87.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 2.21 109.155 179.736 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.87 -39.98 93.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.485 -0.759 . . . . 3.5499999999999998 109.501 179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.97 -53.36 56.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.52000000000000002 109.675 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.57 66.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.887 . . . . 1.6799999999999999 109.757 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.89 -50.56 70.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 110.279 -179.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -45.98 92.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.33000000000000002 109.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.77 -42.8 62.67 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 3.02 109.486 179.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.03 -45.32 95.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.31 -0.869 . . . . 1.75 109.925 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.48 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.26 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.29 -50.99 71.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 1.21 109.509 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.0 -42.6 99.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.908 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.42 69.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.258 -0.901 . . . . 1.0600000000000001 109.834 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.32 -45.55 92.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 109.381 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.67 -34.34 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.238 -0.914 . . . . 1.9299999999999999 109.282 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.99 -48.7 75.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.472 -0.767 . . . . 1.1399999999999999 109.437 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.6 -43.62 98.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.846 . . . . 2.1899999999999999 109.008 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.677 -0.64 . . . . 1.4299999999999999 109.413 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 1.3100000000000001 109.706 -179.933 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.279 0.561 . . . . 2.1099999999999999 109.699 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -95.87 155.3 16.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.239 -0.913 . . . . 1.01 109.679 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.88 139.8 34.46 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.424 -0.798 . . . . 0.57999999999999996 109.027 179.403 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.35 163.8 12.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 1.1599999999999999 108.861 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.67 134.92 18.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.019 -1.051 . . . . 1.1699999999999999 110.039 -179.355 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.03 127.65 34.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.815 -0.809 . . . . 1.8100000000000001 108.815 179.303 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.2 mt -123.42 111.11 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 109.206 -0.665 . . . . 1.1299999999999999 109.206 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.94 147.58 40.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -0.804 . . . . 2.8199999999999998 110.059 -179.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.14 135.96 4.1 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.518 -1.033 . . . . 0.45000000000000001 110.518 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -80.22 -38.36 31.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.405 -1.056 . . . . 3.0800000000000001 108.888 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 mp0 -59.29 -46.88 87.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 2.54 109.105 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -61.96 -39.84 93.52 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.427 -0.796 . . . . 4.1100000000000003 109.502 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -55.11 -53.33 57.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.487 -0.758 . . . . 0.56999999999999995 109.578 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.6 66.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.342 -0.849 . . . . 1.6599999999999999 109.754 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.95 -50.51 70.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.267 -0.896 . . . . 1.29 110.25 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.27 -45.94 92.42 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 108.95 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.8 -42.86 62.8 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.283 -0.885 . . . . 3.8500000000000001 109.484 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -60.95 -45.34 95.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.352 -0.842 . . . . 1.78 109.919 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 109.262 -179.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.21 -51.07 71.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.243 -0.911 . . . . 1.2 109.525 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.97 -42.57 99.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 2.1200000000000001 109.884 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.4 69.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.752 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.28 -45.65 92.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.147 -0.97 . . . . 1.1399999999999999 109.326 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.62 -34.39 72.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -0.893 . . . . 2.0899999999999999 109.281 179.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.92 -48.73 75.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 1.3799999999999999 109.456 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.56 -43.72 98.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 2.6800000000000002 108.95 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.07 -32.51 64.19 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.389 179.772 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 1.3 109.702 -179.877 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.222 0.534 . . . . 1.6699999999999999 109.687 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.81 155.26 16.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.267 -0.895 . . . . 1.01 109.676 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.89 139.86 34.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.276 -0.89 . . . . 0.63 109.045 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 163.83 12.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.321 -0.862 . . . . 1.1299999999999999 108.856 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.65 134.97 18.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 1.1000000000000001 110.023 -179.389 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.06 127.61 34.29 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.851 -0.796 . . . . 1.3700000000000001 108.851 179.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.0 mt -123.4 111.14 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.554 -0.716 . . . . 1.1499999999999999 109.219 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.53 40.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.512 -0.743 . . . . 2.77 110.192 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.21 135.96 4.14 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.505 -1.038 . . . . 0.42999999999999999 110.505 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.19 -38.44 31.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 3.1200000000000001 108.885 179.331 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 9.9 mp0 -59.27 -46.84 87.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 2.2200000000000002 109.186 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.89 -39.93 93.66 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.475 -0.766 . . . . 3.5 109.579 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.0 -53.42 55.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.433 -0.792 . . . . 0.5 109.643 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.21 -42.6 66.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.427 -0.795 . . . . 1.6899999999999999 109.75 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.98 -50.5 70.53 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 1.1399999999999999 110.236 -179.245 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -46.0 92.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.069 -1.019 . . . . 0.32000000000000001 108.967 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.87 -42.77 62.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.286 -0.884 . . . . 2.96 109.406 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -61.03 -45.24 95.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 1.75 109.935 -179.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.5 -43.42 98.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.0800000000000001 109.258 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.26 -51.01 71.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.22 109.533 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.53 99.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 1.73 109.908 -179.701 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.807 -179.646 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.28 -45.6 92.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 1.1100000000000001 109.35 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.65 -34.43 72.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.266 179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.91 -48.72 75.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.832 . . . . 1.1699999999999999 109.374 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -62.57 -43.68 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 2.1499999999999999 109.131 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.15 -32.44 64.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.652 -0.655 . . . . 1.4399999999999999 109.442 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -44.06 78.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 1.3 109.756 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.886 . . . . 1.3999999999999999 109.604 -179.848 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.289 0.566 . . . . 1.7 109.573 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -94.44 153.14 18.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 1.04 109.602 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -135.91 -169.52 2.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.362 -0.836 . . . . 0.65000000000000002 109.397 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.21 146.88 25.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 1.1399999999999999 108.73 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -141.18 135.29 30.64 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 1.0900000000000001 109.69 -178.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.68 130.31 34.6 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.839 -0.801 . . . . 1.3700000000000001 108.839 179.214 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.54 118.8 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.555 -0.716 . . . . 1.1499999999999999 109.465 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.17 152.84 36.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 2.79 110.076 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.09 136.29 1.2 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.476 -1.05 . . . . 0.45000000000000001 110.476 179.028 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.83 -41.5 20.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -1.042 . . . . 3.1600000000000001 108.937 179.245 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.56 -45.7 88.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.304 -0.872 . . . . 2.2200000000000002 108.658 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -62.67 -41.09 98.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.506 -0.746 . . . . 3.54 109.12 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.68 -56.37 21.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.535 -0.728 . . . . 0.5 109.545 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.97 -36.9 51.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.464 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.97 -53.58 51.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.402 -0.811 . . . . 1.1499999999999999 109.883 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.72 -44.42 96.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.135 -0.978 . . . . 0.34000000000000002 108.901 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.69 -43.73 62.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.318 -0.864 . . . . 2.9399999999999999 109.225 179.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.19 -52.03 67.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.74 109.664 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.25 -36.28 77.41 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 108.665 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.23 -56.83 17.18 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.22 109.298 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.428 ' CB ' ' HZ3' ' B' ' 351' ' ' LYS . 90.6 mt-10 -63.58 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.366 -0.834 . . . . 1.72 109.492 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.66 -54.06 51.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.82 . . . . 1.0700000000000001 109.909 -179.628 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.53 -46.56 89.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.166 -0.959 . . . . 1.0800000000000001 109.225 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.82 -35.2 72.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.367 -0.833 . . . . 1.9099999999999999 109.197 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.19 -46.93 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 109.317 179.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.36 -39.78 94.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.393 -0.817 . . . . 2.1400000000000001 108.975 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.27 -33.98 65.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.45 179.763 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.57 35.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 1.3 109.745 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 1.4199999999999999 109.608 -179.79 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.255 0.55 . . . . 1.6100000000000001 109.524 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -94.52 153.04 18.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.295 -0.878 . . . . 0.96999999999999997 109.598 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -135.76 -169.42 2.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.351 -0.843 . . . . 0.59999999999999998 109.314 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -152.31 146.83 25.69 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.32 -0.863 . . . . 1.1000000000000001 108.723 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.1 135.23 30.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.372 -0.83 . . . . 1.1000000000000001 109.716 -178.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.67 130.37 34.58 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.766 -0.827 . . . . 1.3600000000000001 108.766 179.23 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.61 118.77 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.508 -0.745 . . . . 1.1699999999999999 109.352 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.19 152.79 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 2.79 109.985 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.1 136.34 1.22 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.473 -1.051 . . . . 0.47999999999999998 110.473 179.056 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.93 -41.4 20.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.437 -1.037 . . . . 3.2200000000000002 108.934 179.274 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.63 -45.66 88.76 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.642 -0.873 . . . . 2.21 108.642 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -62.81 -40.94 98.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.427 -0.796 . . . . 3.5499999999999998 109.122 179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -55.67 -56.42 20.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.52000000000000002 109.534 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.89 -36.98 50.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 1.6799999999999999 109.509 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.93 -53.58 51.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.3 -0.875 . . . . 1.1499999999999999 109.929 -179.57 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.69 -44.53 96.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.33000000000000002 108.925 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.59 -43.72 62.58 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.253 -0.904 . . . . 3.02 109.277 179.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.12 -52.12 66.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.84 . . . . 1.75 109.657 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.15 -36.35 77.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 108.719 179.749 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.94 15.72 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.423 -0.798 . . . . 1.21 109.248 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.51 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.486 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.61 -54.08 51.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -0.84 . . . . 1.0600000000000001 109.951 -179.618 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.4 -46.6 89.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.173 -0.954 . . . . 1.0800000000000001 109.294 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.76 -35.24 72.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 1.9299999999999999 109.273 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.94 81.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.341 -0.849 . . . . 1.1399999999999999 109.3 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HZ3' ' CB ' ' A' ' 346' ' ' GLU . 13.2 ttmm -62.36 -39.78 94.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 2.1899999999999999 109.018 179.831 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.33 -33.83 66.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.651 -0.655 . . . . 1.4299999999999999 109.447 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 1.3100000000000001 109.769 -179.799 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.277 0.56 . . . . 2.1099999999999999 109.63 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.39 153.03 18.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.262 -0.898 . . . . 1.01 109.633 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -135.87 -169.43 2.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.344 -0.848 . . . . 0.57999999999999996 109.341 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -152.24 146.87 25.76 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.68 -0.859 . . . . 1.1599999999999999 108.68 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.6 tp -141.13 135.2 30.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.283 -0.886 . . . . 1.1699999999999999 109.721 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.64 130.31 34.6 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.793 -0.818 . . . . 1.8100000000000001 108.793 179.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.58 118.82 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.526 -0.734 . . . . 1.1299999999999999 109.418 -179.711 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -76.11 152.82 36.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.585 -0.697 . . . . 2.8199999999999998 110.078 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.0 136.37 1.18 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.468 -1.053 . . . . 0.45000000000000001 110.468 179.061 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.89 -41.47 20.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -1.045 . . . . 3.0800000000000001 108.89 179.322 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.67 -45.56 89.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 2.54 108.641 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -62.83 -41.02 99.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.4 -0.813 . . . . 4.1100000000000003 109.124 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.76 -56.29 22.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.481 -0.762 . . . . 0.56999999999999995 109.513 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.94 -36.97 51.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.481 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.89 -53.63 51.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.299 -0.876 . . . . 1.29 109.876 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -44.41 96.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.40000000000000002 108.921 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.7 -43.67 62.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 3.8500000000000001 109.233 179.629 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.07 66.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 1.78 109.66 -179.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.26 -36.31 77.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 108.644 179.768 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.17 -56.91 16.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.408 -0.808 . . . . 1.2 109.232 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.57 -31.08 72.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.1200000000000001 109.446 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -54.12 50.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.0700000000000001 109.918 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.44 -46.56 89.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 1.1399999999999999 109.24 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.86 -35.18 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 2.0899999999999999 109.262 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.92 81.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.3799999999999999 109.297 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.433 ' HZ3' ' CB ' ' D' ' 346' ' ' GLU . 13.3 ttmm -62.48 -39.68 94.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.377 -0.827 . . . . 2.6800000000000002 108.969 179.893 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.37 -33.83 66.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.559 -0.713 . . . . 1.3400000000000001 109.453 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 1.3 109.787 -179.832 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.561 -0.533 . . . . 1.6699999999999999 109.561 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.47 153.1 18.09 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.286 -0.884 . . . . 1.01 109.557 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.91 -169.48 2.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.63 109.385 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -152.22 146.89 25.79 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.263 -0.898 . . . . 1.1299999999999999 108.671 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.18 135.24 30.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.73 -178.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.57 130.36 34.59 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.797 -0.816 . . . . 1.3700000000000001 108.797 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -123.61 118.85 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.449 -0.782 . . . . 1.1499999999999999 109.407 -179.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.25 152.8 36.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.553 -0.717 . . . . 2.77 110.034 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.08 136.37 1.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.498 -1.041 . . . . 0.42999999999999999 110.498 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -81.86 -41.49 20.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.398 -1.06 . . . . 3.1200000000000001 108.886 179.344 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.62 -45.57 88.92 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 108.71 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.85 -40.97 99.09 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.456 -0.778 . . . . 3.5 109.078 179.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.71 -56.41 20.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.488 -0.757 . . . . 0.5 109.471 179.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.87 -36.99 50.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.236 -0.915 . . . . 1.6899999999999999 109.517 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.9 -53.54 52.49 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.275 -0.891 . . . . 1.1399999999999999 109.936 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.78 -44.45 96.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.32000000000000001 108.854 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.61 -43.76 62.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.26 -0.9 . . . . 2.96 109.235 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.09 66.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 1.75 109.665 -179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.17 -36.37 77.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.91 . . . . 1.0800000000000001 108.671 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.18 -56.81 17.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.445 -0.784 . . . . 1.22 109.323 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.433 ' CB ' ' HZ3' ' C' ' 351' ' ' LYS . 90.6 mt-10 -63.66 -31.02 72.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.365 -0.834 . . . . 1.73 109.499 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.15 50.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 1.0700000000000001 109.95 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.5 -46.57 89.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.143 -0.973 . . . . 1.1100000000000001 109.258 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.74 -35.24 72.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 1.9099999999999999 109.257 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.14 -46.97 81.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 1.1699999999999999 109.339 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.39 -39.7 94.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 2.1499999999999999 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.39 -33.89 66.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.572 -0.705 . . . . 1.4399999999999999 109.367 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -52.6 35.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 1.3 109.722 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.384 -0.823 . . . . 1.3999999999999999 109.565 -179.735 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.269 0.557 . . . . 1.7 109.644 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.78 159.57 14.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.23 -0.919 . . . . 1.04 109.568 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -139.56 -171.62 3.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.415 -0.803 . . . . 0.65000000000000002 109.309 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.6 p -150.64 148.78 29.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 1.1399999999999999 108.58 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.08 135.6 29.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 1.0900000000000001 109.803 -178.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.63 130.82 34.67 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.547 -0.909 . . . . 1.3700000000000001 108.547 178.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -123.39 111.86 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.503 -0.748 . . . . 1.1499999999999999 109.072 -179.516 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.87 146.47 44.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 2.79 110.068 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 135.64 5.87 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.792 -1.323 . . . . 0.45000000000000001 109.792 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.07 -49.05 10.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.254 -1.145 . . . . 3.1600000000000001 109.642 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.29 -40.56 78.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.131 -0.981 . . . . 2.2200000000000002 109.154 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.16 -41.65 97.06 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.2 -0.938 . . . . 3.54 109.306 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -55.05 -56.34 20.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.5 109.943 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.49 -37.02 46.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -0.904 . . . . 1.6599999999999999 109.849 -179.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.23 -52.04 63.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.232 -0.917 . . . . 1.1499999999999999 110.207 -179.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.34 -44.06 97.82 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.128 -0.983 . . . . 0.34000000000000002 109.044 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.39 -43.78 62.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.308 -0.87 . . . . 2.9399999999999999 109.205 179.52 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.56 -46.55 89.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 1.74 109.77 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.11 -42.6 98.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 1.0700000000000001 109.131 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.23 -52.58 64.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.27 -0.893 . . . . 1.22 109.389 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.71 -35.94 79.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 1.72 109.693 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.57 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.243 -0.911 . . . . 1.0700000000000001 109.629 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.53 -46.35 90.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 1.0800000000000001 109.344 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.27 -35.5 73.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.408 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.33 -52.18 59.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.316 -0.865 . . . . 1.1499999999999999 109.469 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -63.28 -46.73 85.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.412 -0.805 . . . . 2.1400000000000001 109.102 179.787 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.546 -0.721 . . . . 1.4299999999999999 109.786 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 1.3 109.743 -179.702 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 1.4199999999999999 109.771 -179.859 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.312 0.577 . . . . 1.6100000000000001 109.613 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.81 159.35 15.09 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.908 . . . . 0.96999999999999997 109.57 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -139.37 -171.57 3.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.59999999999999998 109.246 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -150.53 148.87 29.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.588 -0.894 . . . . 1.1000000000000001 108.588 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.9 tp -142.2 135.58 29.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.773 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.61 130.8 34.68 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.537 -0.912 . . . . 1.3600000000000001 108.537 178.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -123.42 111.87 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.535 -0.728 . . . . 1.1699999999999999 109.132 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.91 146.56 43.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.603 -0.686 . . . . 2.79 110.019 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 135.59 5.81 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.748 -1.341 . . . . 0.47999999999999998 109.748 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.04 -49.03 10.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -1.098 . . . . 3.2200000000000002 109.71 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.25 -40.57 77.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 2.21 109.19 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.2 -41.59 97.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.266 -0.896 . . . . 3.5499999999999998 109.351 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.06 -56.35 20.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.52000000000000002 109.944 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -37.04 46.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.6799999999999999 109.911 -179.704 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.97 63.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.217 -0.927 . . . . 1.1499999999999999 110.193 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.43 -43.94 97.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.187 -0.945 . . . . 0.33000000000000002 109.055 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.48 -43.75 62.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.867 . . . . 3.02 109.196 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.55 -46.59 89.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 1.75 109.708 -179.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.19 -42.5 98.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.15 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.25 -52.58 64.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.248 -0.908 . . . . 1.21 109.361 179.602 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.77 -35.87 79.4 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 1.6899999999999999 109.692 -179.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.47 69.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 1.0600000000000001 109.651 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.61 -46.0 91.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.328 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -35.45 74.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.288 -0.883 . . . . 1.9299999999999999 109.425 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.27 -52.09 60.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.355 -0.841 . . . . 1.1399999999999999 109.399 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -63.45 -46.81 84.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.386 -0.822 . . . . 2.1899999999999999 109.169 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.94 -36.53 74.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.547 -0.72 . . . . 1.4299999999999999 109.806 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.155 -0.965 . . . . 1.3100000000000001 109.743 -179.633 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.232 0.539 . . . . 2.1099999999999999 109.662 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -94.73 159.32 15.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.869 . . . . 1.01 109.698 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -139.36 -171.59 3.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.407 -0.808 . . . . 0.57999999999999996 109.273 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.59 148.68 28.94 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.665 -0.865 . . . . 1.1599999999999999 108.665 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.0 tp -142.04 135.61 29.39 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.379 -0.825 . . . . 1.1699999999999999 109.764 -178.622 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.65 130.73 34.68 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.561 -0.903 . . . . 1.8100000000000001 108.561 178.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.4 111.85 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 109.099 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.85 146.53 44.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.575 -0.703 . . . . 2.8199999999999998 110.089 -179.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.68 135.85 5.91 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.769 -1.333 . . . . 0.45000000000000001 109.769 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.33 -49.03 10.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 3.0800000000000001 109.636 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.28 -40.54 77.98 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.15 -0.969 . . . . 2.54 109.159 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -64.22 -41.64 96.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.94 . . . . 4.1100000000000003 109.338 179.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.02 -56.43 19.89 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.574 -0.704 . . . . 0.56999999999999995 109.893 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.35 -37.1 46.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 1.6599999999999999 109.875 -179.658 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.98 63.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 1.29 110.164 -179.299 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.39 -44.02 97.87 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.144 -0.972 . . . . 0.40000000000000002 109.025 -179.734 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.4 -43.79 62.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 3.8500000000000001 109.248 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.52 -46.58 89.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.78 109.749 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.22 -42.5 98.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.1699999999999999 109.121 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -58.29 -52.57 65.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.2 109.305 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -61.77 -35.84 79.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.363 -0.836 . . . . 2.1200000000000001 109.713 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.55 69.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 109.642 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.46 -46.0 91.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.387 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.67 -35.45 74.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 2.0899999999999999 109.415 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.3 -52.06 60.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.391 -0.818 . . . . 1.3799999999999999 109.454 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -63.37 -46.95 84.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.435 -0.79 . . . . 2.6800000000000002 109.135 179.704 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.89 -36.49 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.488 -0.758 . . . . 1.3400000000000001 109.813 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 1.3 109.741 -179.682 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.243 0.544 . . . . 1.6699999999999999 109.681 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -94.72 159.46 15.05 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 1.01 109.621 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.47 -171.54 3.16 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.63 109.211 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.62 148.64 28.87 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.656 -0.868 . . . . 1.1299999999999999 108.656 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.98 135.64 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 1.1000000000000001 109.749 -178.598 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.64 130.77 34.67 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.559 -0.904 . . . . 1.3700000000000001 108.559 178.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.38 111.87 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.471 -0.768 . . . . 1.1499999999999999 109.101 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.95 146.55 43.83 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.578 -0.701 . . . . 2.77 110.015 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.65 135.56 5.79 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.776 -1.329 . . . . 0.42999999999999999 109.776 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -81.96 -49.12 10.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -1.099 . . . . 3.1200000000000001 109.687 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.23 -40.5 77.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 109.186 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.33 -41.55 96.75 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.233 -0.917 . . . . 3.5 109.316 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.03 -56.39 20.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.578 -0.701 . . . . 0.5 109.91 -179.745 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.44 -37.07 46.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 1.6899999999999999 109.829 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.26 -51.95 64.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.208 -0.932 . . . . 1.1399999999999999 110.234 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.37 -44.01 97.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -0.949 . . . . 0.32000000000000001 109.084 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.4 -43.77 62.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.256 -0.903 . . . . 2.96 109.241 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.56 -46.6 89.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.356 -0.84 . . . . 1.75 109.705 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.08 -42.67 98.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 109.104 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.24 -52.59 64.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.895 . . . . 1.22 109.371 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.72 -35.85 79.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.73 109.689 -179.846 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.51 69.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.89 . . . . 1.0700000000000001 109.65 -179.775 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.51 -46.37 90.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.26 -0.9 . . . . 1.1100000000000001 109.335 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.21 -35.59 73.89 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.432 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.31 -52.14 59.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.822 . . . . 1.1699999999999999 109.497 -179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -63.3 -46.76 85.21 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.386 -0.821 . . . . 2.1499999999999999 109.089 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.02 -36.61 75.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.561 -0.712 . . . . 1.4399999999999999 109.772 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.23 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 1.3 109.719 -179.646 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.322 -0.861 . . . . 1.3999999999999999 109.792 -179.89 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.538 -0.542 . . . . 1.7 109.538 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.32 155.23 17.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.289 -0.882 . . . . 1.04 109.509 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.97 -171.29 2.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.443 -0.786 . . . . 0.65000000000000002 109.443 -179.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.75 148.65 28.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.365 -0.834 . . . . 1.1399999999999999 108.819 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.2 133.79 28.55 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.302 -0.874 . . . . 1.0900000000000001 109.817 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.8 127.48 34.15 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.56 -0.904 . . . . 1.3700000000000001 108.56 179.266 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.9 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.459 -0.776 . . . . 1.1499999999999999 109.444 -179.465 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.403 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.8 ttt-85 -75.65 151.2 37.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 2.79 109.685 179.759 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.45 131.92 3.98 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.121 -1.192 . . . . 0.45000000000000001 110.121 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.02 -48.61 12.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -1.07 . . . . 3.1600000000000001 109.189 179.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.37 -43.32 88.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 108.974 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.51 -42.21 98.5 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.478 -0.764 . . . . 3.54 109.189 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.44 -55.67 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.611 -0.681 . . . . 0.5 109.727 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.84 -36.62 48.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.319 -0.863 . . . . 1.6599999999999999 109.947 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.23 67.44 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.221 -0.924 . . . . 1.1499999999999999 110.237 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.08 -43.71 98.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.078 -1.014 . . . . 0.34000000000000002 108.95 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.37 -45.4 62.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.346 -0.846 . . . . 2.9399999999999999 109.514 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.58 -45.33 94.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.265 -0.897 . . . . 1.74 109.952 -179.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.26 -43.72 98.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.428 -179.83 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.437 ' O ' ' OE2' ' A' ' 349' ' ' GLU . 40.3 t30 -58.98 -50.13 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.904 . . . . 1.22 109.534 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.93 -34.3 74.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 1.72 109.912 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.6 81.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.953 -179.647 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.96 -47.15 86.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.941 . . . . 1.0800000000000001 109.552 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 349' ' ' GLU . 0.1 OUTLIER -55.41 -39.07 69.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.09 -1.006 . . . . 1.9099999999999999 109.6 179.93 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.46 -41.77 98.63 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.089 -1.078 . . . . 1.1499999999999999 108.089 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.75 -46.41 89.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 2.1400000000000001 108.465 179.122 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.34 -29.0 63.63 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.248 0.547 . . . . 1.4299999999999999 109.778 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.64 88.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.2 -0.938 . . . . 1.3 109.567 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 1.4199999999999999 109.643 -179.954 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.522 -0.548 . . . . 1.6100000000000001 109.522 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.25 155.05 17.67 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.96999999999999997 109.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.85 -171.25 2.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.333 -0.854 . . . . 0.59999999999999998 109.434 -179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.76 148.69 28.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.331 -0.856 . . . . 1.1000000000000001 108.836 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -141.19 133.72 28.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.307 -0.87 . . . . 1.1000000000000001 109.881 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.76 127.44 34.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.617 -0.883 . . . . 1.3600000000000001 108.617 179.219 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.97 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.501 -0.749 . . . . 1.1699999999999999 109.424 -179.479 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -75.62 151.17 37.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.427 -0.796 . . . . 2.79 109.725 179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.48 131.93 4.0 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.15 -1.18 . . . . 0.47999999999999998 110.15 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -80.98 -48.69 11.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -1.104 . . . . 3.2200000000000002 109.163 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.27 -43.36 87.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.095 -1.003 . . . . 2.21 109.023 179.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -63.57 -42.18 98.35 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.365 -0.835 . . . . 3.5499999999999998 109.201 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -55.4 -55.59 29.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.628 -0.67 . . . . 0.52000000000000002 109.765 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.96 -36.59 50.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.266 -0.896 . . . . 1.6799999999999999 109.907 -179.561 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.1 -51.24 67.36 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 110.156 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.06 -43.65 98.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.125 -0.985 . . . . 0.33000000000000002 109.055 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.49 -45.19 62.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.345 -0.847 . . . . 3.02 109.55 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.78 -45.21 95.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.872 . . . . 1.75 109.908 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 109.493 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.439 ' O ' ' OE2' ' B' ' 349' ' ' GLU . 40.3 t30 -59.11 -50.08 75.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 1.21 109.475 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -34.35 74.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.158 -0.964 . . . . 1.6899999999999999 109.843 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.73 80.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.19 -0.944 . . . . 1.0600000000000001 109.942 -179.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.77 -47.19 86.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 1.0800000000000001 109.61 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' B' ' 349' ' ' GLU . 0.1 OUTLIER -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 1.9299999999999999 109.547 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.48 -41.81 98.58 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.031 -1.1 . . . . 1.1399999999999999 108.031 179.546 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.18 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.537 -0.912 . . . . 2.1899999999999999 108.537 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.33 -29.12 63.69 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.284 0.564 . . . . 1.4299999999999999 109.757 179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 1.3100000000000001 109.592 -179.808 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 2.1099999999999999 109.539 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -93.34 155.16 17.56 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.209 -0.932 . . . . 1.01 109.489 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.87 -171.22 2.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.386 -0.821 . . . . 0.57999999999999996 109.418 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.83 148.52 27.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 1.1599999999999999 108.884 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.15 133.85 28.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.268 -0.895 . . . . 1.1699999999999999 109.84 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.86 127.39 34.13 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.64 -0.874 . . . . 1.8100000000000001 108.64 179.279 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.86 114.89 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.489 -0.757 . . . . 1.1299999999999999 109.47 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.8 ttt-85 -75.72 151.23 37.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.519 -0.738 . . . . 2.8199999999999998 109.583 179.799 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.44 131.98 3.99 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.133 -1.187 . . . . 0.45000000000000001 110.133 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.04 -48.64 11.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -1.071 . . . . 3.0800000000000001 109.236 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.36 -43.24 88.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 2.54 108.993 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.6 -42.2 98.27 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.332 -0.855 . . . . 4.1100000000000003 109.184 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -55.48 -55.53 30.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.636 -0.665 . . . . 0.56999999999999995 109.776 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.94 -36.65 49.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.6599999999999999 109.91 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.99 -51.32 67.32 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 1.29 110.184 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.08 -43.65 98.56 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.116 -0.99 . . . . 0.40000000000000002 109.047 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.46 -45.28 62.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.227 -0.921 . . . . 3.8500000000000001 109.548 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.62 -45.31 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 1.78 109.924 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.32 -43.68 98.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.942 . . . . 1.1699999999999999 109.42 -179.807 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.45 ' O ' ' OE2' ' C' ' 349' ' ' GLU . 40.5 t30 -59.05 -50.03 75.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 1.2 109.502 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.94 -34.35 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.926 . . . . 2.1200000000000001 109.872 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.61 80.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 109.967 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -47.07 86.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 1.1399999999999999 109.607 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' C' ' 349' ' ' GLU . 0.1 OUTLIER -55.56 -39.02 70.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.038 -1.039 . . . . 2.0899999999999999 109.531 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.44 -41.82 98.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.056 -1.09 . . . . 1.3799999999999999 108.056 179.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.68 -46.4 89.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 2.6800000000000002 108.538 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.27 -29.07 63.53 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.304 0.573 . . . . 1.3400000000000001 109.832 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 1.3 109.67 -179.82 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.252 0.549 . . . . 1.6699999999999999 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -93.22 155.15 17.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.3 -0.875 . . . . 1.01 109.619 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.96 -171.36 2.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.42 -0.8 . . . . 0.63 109.382 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 148.57 28.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.218 -0.926 . . . . 1.1299999999999999 108.882 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.13 133.92 28.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.266 -0.896 . . . . 1.1000000000000001 109.843 -178.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.93 127.39 34.15 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.584 -0.895 . . . . 1.3700000000000001 108.584 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.3 mt -123.87 114.88 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.543 -0.723 . . . . 1.1499999999999999 109.481 -179.449 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.4 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.8 ttt-85 -75.59 151.28 37.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.513 -0.742 . . . . 2.77 109.72 179.717 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.37 131.91 3.94 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.142 -1.183 . . . . 0.42999999999999999 110.142 179.659 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.01 -48.55 12.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -1.098 . . . . 3.1200000000000001 109.235 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.4 -43.29 88.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.193 -0.942 . . . . 2.2200000000000002 109.017 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.418 -0.801 . . . . 3.5 109.222 179.604 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.653 -0.654 . . . . 0.5 109.785 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.78 -36.73 48.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.6899999999999999 109.955 -179.675 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.18 67.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.23 -0.918 . . . . 1.1399999999999999 110.237 -179.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.15 -43.59 98.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.226 -0.922 . . . . 0.32000000000000001 109.034 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.47 -45.31 62.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.288 -0.883 . . . . 2.96 109.444 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.66 -45.23 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 1.75 109.972 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.37 -43.65 98.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.955 . . . . 1.0800000000000001 109.477 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.452 ' O ' ' OE2' ' D' ' 349' ' ' GLU . 40.3 t30 -59.01 -50.09 75.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.117 -0.989 . . . . 1.22 109.545 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.98 -34.37 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 1.73 109.826 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.63 80.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.94 -179.648 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.74 -47.23 86.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 1.1100000000000001 109.635 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' D' ' 349' ' ' GLU . 0.1 OUTLIER -55.39 -39.1 69.76 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.115 -0.991 . . . . 1.9099999999999999 109.614 179.961 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.44 -41.8 98.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.077 -1.083 . . . . 1.1699999999999999 108.077 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.16 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.502 -0.925 . . . . 2.1499999999999999 108.502 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.32 -29.15 63.7 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.266 0.555 . . . . 1.4399999999999999 109.721 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.64 89.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.235 -0.916 . . . . 1.3 109.597 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.237 -0.914 . . . . 1.3999999999999999 109.567 -179.894 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.267 0.556 . . . . 1.7 109.507 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -95.46 150.0 20.78 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.273 -0.892 . . . . 1.04 109.989 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.05 137.55 32.99 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.453 -0.943 . . . . 0.65000000000000002 108.453 178.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -95.92 163.22 13.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.379 -0.825 . . . . 1.1399999999999999 109.326 -179.49 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.81 129.93 14.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 1.0900000000000001 110.092 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.92 124.9 32.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.1 117.02 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.496 -0.752 . . . . 1.1499999999999999 109.669 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.48 156.84 34.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.468 -0.77 . . . . 2.79 109.881 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.8 136.99 3.19 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.332 -1.107 . . . . 0.45000000000000001 110.332 179.093 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.48 -47.01 12.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.353 -1.086 . . . . 3.1600000000000001 109.037 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.49 -45.19 89.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 2.2200000000000002 109.074 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.5 -44.06 96.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.386 -0.821 . . . . 3.54 109.281 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.2 -57.8 9.79 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.513 -0.742 . . . . 0.5 109.537 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.1 -39.97 60.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.4 -0.812 . . . . 1.6599999999999999 109.802 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.37 -49.61 73.15 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 110.193 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.41 97.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.34000000000000002 109.138 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.21 -42.76 61.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.186 -0.946 . . . . 2.9399999999999999 109.362 179.623 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.14 -44.62 97.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 1.74 109.859 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.51 -44.11 97.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.131 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.55 -52.76 64.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 1.22 109.535 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.49 -35.8 81.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 1.72 109.994 -179.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.34 65.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 110.239 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.53 -43.1 99.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.599 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.19 -34.99 72.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.165 -0.96 . . . . 1.9099999999999999 109.514 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.66 -48.72 73.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.304 -0.873 . . . . 1.1499999999999999 109.695 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.44 -42.94 99.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.312 -0.868 . . . . 2.1400000000000001 108.97 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . 0.451 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 50.6 m-20 -55.95 -32.85 64.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.419 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -54.3 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.372 -0.83 . . . . 1.3 110.135 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 1.4199999999999999 110.224 -179.134 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.492 -0.558 . . . . 1.6100000000000001 109.492 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -95.43 149.92 20.87 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.96999999999999997 109.986 -179.81 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.05 137.58 33.01 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.428 -0.953 . . . . 0.59999999999999998 108.428 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -95.78 163.28 13.24 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.311 -0.868 . . . . 1.1000000000000001 109.312 -179.422 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.93 129.84 14.31 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.862 . . . . 1.1000000000000001 110.093 -179.119 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.91 124.84 32.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.573 -0.899 . . . . 1.3600000000000001 108.573 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.02 117.14 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.529 -0.732 . . . . 1.1699999999999999 109.62 -179.362 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -75.65 156.96 34.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.833 . . . . 2.79 109.796 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.88 3.16 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.311 -1.116 . . . . 0.47999999999999998 110.311 179.096 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.4 -47.04 12.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -1.036 . . . . 3.2200000000000002 109.056 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.44 -45.28 88.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 2.21 109.041 179.556 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 22.9 ttm180 -60.55 -43.87 96.74 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.356 -0.84 . . . . 3.5499999999999998 109.257 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.33 -57.86 9.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.543 -0.723 . . . . 0.52000000000000002 109.484 -179.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.03 -39.96 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.858 -179.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.5 -49.43 73.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 110.19 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.28 -44.53 97.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.33000000000000002 109.065 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.1 -42.84 60.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.945 . . . . 3.02 109.382 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.06 -44.68 97.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 1.75 109.851 -179.718 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -44.07 97.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 1.0700000000000001 109.112 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.67 -52.65 64.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 1.21 109.528 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.51 -35.89 81.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.926 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -52.36 65.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.858 . . . . 1.0600000000000001 110.16 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.4 -43.15 99.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.986 . . . . 1.0800000000000001 109.628 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.23 -35.09 73.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 1.9299999999999999 109.412 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -48.79 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 1.1399999999999999 109.691 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.36 -42.91 99.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 2.1899999999999999 109.017 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -56.0 -32.75 64.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.607 -0.683 . . . . 1.4299999999999999 109.456 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 1.3100000000000001 110.156 -179.571 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.344 0.592 . . . . 2.1099999999999999 109.514 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -95.41 149.8 20.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.176 -0.952 . . . . 1.01 110.061 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -140.91 137.54 33.22 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.437 -0.949 . . . . 0.57999999999999996 108.437 178.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.5 p -95.69 163.28 13.25 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.335 -0.853 . . . . 1.1599999999999999 109.367 -179.509 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.92 129.94 14.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.953 . . . . 1.1699999999999999 110.027 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.95 124.8 32.08 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.641 -0.874 . . . . 1.8100000000000001 108.641 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.05 117.13 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 121.558 -0.714 . . . . 1.1299999999999999 109.695 -179.391 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.63 156.92 34.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.77 . . . . 2.8199999999999998 109.817 179.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.87 3.17 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.346 -1.101 . . . . 0.45000000000000001 110.346 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.35 -47.08 12.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -1.032 . . . . 3.0800000000000001 109.036 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.51 -45.25 89.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.877 . . . . 2.54 108.966 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.451 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 22.9 ttm180 -60.57 -43.87 96.82 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.354 -0.841 . . . . 4.1100000000000003 109.276 179.729 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.34 -57.8 9.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.724 . . . . 0.56999999999999995 109.533 -179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.09 -39.94 60.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 109.796 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.45 -49.53 73.3 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.21 -0.931 . . . . 1.29 110.175 -179.345 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.47 97.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.095 -1.003 . . . . 0.40000000000000002 109.099 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.24 -42.85 61.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.25 -0.906 . . . . 3.8500000000000001 109.358 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.97 -44.7 96.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.78 109.942 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.37 -44.2 97.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 1.1699999999999999 109.096 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.63 -52.63 64.86 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.273 -0.892 . . . . 1.2 109.561 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.54 -35.87 81.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 110.008 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.44 65.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 110.214 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.5 -42.97 99.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.132 -0.98 . . . . 1.1399999999999999 109.697 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.32 -34.98 72.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.0899999999999999 109.498 179.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.59 -48.83 73.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 1.3799999999999999 109.686 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.42 -42.88 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 2.6800000000000002 108.966 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.534 -0.728 . . . . 1.3400000000000001 109.465 179.756 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.3 110.139 -179.615 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.409 -0.589 . . . . 1.6699999999999999 109.409 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -95.37 149.97 20.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 1.01 109.976 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.06 137.66 33.04 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.403 -0.962 . . . . 0.63 108.403 178.782 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -95.87 163.09 13.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 1.1299999999999999 109.442 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.8 129.92 14.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 1.1000000000000001 110.0 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.88 124.84 32.09 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.05 117.02 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.534 -0.728 . . . . 1.1499999999999999 109.765 -179.379 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -75.46 156.79 34.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.493 -0.754 . . . . 2.77 109.867 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.88 136.94 3.21 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.351 -1.1 . . . . 0.42999999999999999 110.351 179.063 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.47 -46.94 12.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.42 -1.047 . . . . 3.1200000000000001 109.104 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.59 -45.15 89.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 2.2200000000000002 108.964 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.418 -0.801 . . . . 3.5 109.283 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -54.3 -57.71 10.17 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.495 -0.753 . . . . 0.5 109.554 -179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.17 -39.9 60.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.359 -0.838 . . . . 1.6899999999999999 109.797 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.48 -49.45 73.55 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.257 -0.902 . . . . 1.1399999999999999 110.222 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.37 -44.33 97.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.0 . . . . 0.32000000000000001 109.12 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.23 -42.85 61.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 2.96 109.326 179.641 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.05 -44.63 97.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.75 109.881 -179.691 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.48 -44.07 97.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.142 -0.974 . . . . 1.0800000000000001 109.161 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.69 -52.57 65.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.22 109.587 179.765 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.6 -35.82 81.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.73 110.01 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.36 65.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 1.0700000000000001 110.253 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.56 -43.07 99.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.964 . . . . 1.1100000000000001 109.59 -179.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.2 -35.04 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.469 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.64 -48.85 73.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 1.1699999999999999 109.588 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.35 -42.94 99.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.28 -0.888 . . . . 2.1499999999999999 108.995 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 50.4 m-20 -56.01 -32.77 64.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.582 -0.699 . . . . 1.4399999999999999 109.426 179.733 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.21 18.41 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.388 -0.82 . . . . 1.3 110.168 -179.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 1.3999999999999999 110.265 -179.19 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.263 0.554 . . . . 1.7 109.62 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.74 149.53 21.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.218 -0.926 . . . . 1.04 109.654 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -140.18 138.37 35.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 108.947 179.407 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.95 163.35 12.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 1.1399999999999999 109.062 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.9 tp -149.33 134.01 17.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.083 -1.01 . . . . 1.0900000000000001 110.088 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -84.99 125.59 32.83 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.726 -0.842 . . . . 1.3700000000000001 108.726 179.376 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.85 111.62 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.584 -0.698 . . . . 1.1499999999999999 109.41 -179.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -74.66 156.29 36.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 2.79 109.854 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.76 138.56 4.19 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.17 -1.172 . . . . 0.45000000000000001 110.17 179.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -85.2 -48.41 9.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.383 -1.069 . . . . 3.1600000000000001 109.41 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.7 -44.17 90.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 109.332 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.49 -44.11 97.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.326 -0.859 . . . . 3.54 109.271 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.8 -57.49 10.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.645 -0.66 . . . . 0.5 109.606 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -51.11 -38.56 52.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.791 -179.695 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.09 -51.21 67.48 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.315 -0.865 . . . . 1.1499999999999999 110.24 -179.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.93 -42.9 99.05 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.34000000000000002 109.121 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.63 -42.94 62.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.197 -0.939 . . . . 2.9399999999999999 109.241 179.649 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.02 -45.56 94.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.367 -0.833 . . . . 1.74 109.844 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.08 -43.18 99.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.0700000000000001 109.228 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.03 -51.3 70.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.22 109.523 179.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.94 -37.32 86.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.72 109.732 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -52.44 65.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 109.921 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.2 -44.64 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.477 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.3 -35.2 73.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.368 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.8 -51.82 60.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.377 -0.827 . . . . 1.1499999999999999 109.29 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.436 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.57 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 2.1400000000000001 109.123 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -35.49 69.56 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.529 179.773 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.86 80.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 1.3 109.711 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.4199999999999999 109.612 -179.783 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.292 0.567 . . . . 1.6100000000000001 109.56 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.71 149.42 21.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.96999999999999997 109.743 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -140.2 138.27 35.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.306 -0.871 . . . . 0.59999999999999998 109.038 179.375 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 30.4 p -97.85 163.23 12.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.43 -0.794 . . . . 1.1000000000000001 109.044 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.2 tp -149.28 134.01 17.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.123 -0.986 . . . . 1.1000000000000001 110.035 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.63 32.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.3600000000000001 108.762 179.369 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.86 111.66 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.58 -0.7 . . . . 1.1699999999999999 109.397 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 32.9 ttt-85 -74.71 156.29 36.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.475 -0.765 . . . . 2.79 109.758 179.849 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.8 138.62 4.24 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.117 -1.193 . . . . 0.47999999999999998 110.117 179.411 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.18 -48.56 9.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -1.058 . . . . 3.2200000000000002 109.403 179.766 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.62 -44.12 89.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 2.21 109.417 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.57 -43.98 97.87 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.222 -0.924 . . . . 3.5499999999999998 109.262 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -53.91 -57.47 10.83 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.534 -0.729 . . . . 0.52000000000000002 109.577 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.04 -38.59 52.38 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 1.6799999999999999 109.88 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.15 -51.11 67.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.2 -0.938 . . . . 1.1499999999999999 110.2 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.08 -42.88 99.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.33000000000000002 109.044 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.56 -42.96 62.23 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.934 . . . . 3.02 109.285 179.604 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -61.05 -45.57 94.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.851 . . . . 1.75 109.808 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.03 -43.19 99.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.286 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -58.12 -51.18 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.251 -0.906 . . . . 1.21 109.526 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.0 -37.31 86.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 1.6899999999999999 109.719 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.34 66.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 1.0600000000000001 109.942 -179.583 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.24 -44.65 96.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.493 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.33 -35.03 73.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.318 -0.864 . . . . 1.9299999999999999 109.482 179.897 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.91 -51.87 59.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.1399999999999999 109.229 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -61.5 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.872 . . . . 2.1899999999999999 109.16 179.77 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -35.61 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.592 -0.692 . . . . 1.4299999999999999 109.414 179.818 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 1.3100000000000001 109.696 -179.729 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.278 0.561 . . . . 2.1099999999999999 109.529 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.74 149.46 21.46 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.228 -0.92 . . . . 1.01 109.744 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.18 138.38 35.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.4 -0.812 . . . . 0.57999999999999996 108.939 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 30.5 p -97.91 163.32 12.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 1.1599999999999999 109.054 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.29 134.02 17.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.056 -1.027 . . . . 1.1699999999999999 110.04 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -85.12 125.67 32.98 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.691 -0.855 . . . . 1.8100000000000001 108.691 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.89 111.72 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.581 -0.699 . . . . 1.1299999999999999 109.403 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' C' ' 333' ' ' ARG . 32.7 ttt-85 -74.68 156.27 36.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.845 . . . . 2.8199999999999998 109.782 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.58 4.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.219 -1.152 . . . . 0.45000000000000001 110.219 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.1 -48.5 9.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.352 -1.087 . . . . 3.0800000000000001 109.527 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -58.62 -44.15 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 2.54 109.409 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.55 -44.1 97.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.251 -0.906 . . . . 4.1100000000000003 109.238 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -53.78 -57.48 10.74 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.525 -0.734 . . . . 0.56999999999999995 109.651 179.915 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -51.16 -38.52 52.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.852 . . . . 1.6599999999999999 109.778 -179.657 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.05 -51.27 67.36 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.297 -0.877 . . . . 1.29 110.188 -179.3 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.93 -42.95 99.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.101 -1.0 . . . . 0.40000000000000002 109.067 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.56 -43.0 62.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.153 -0.967 . . . . 3.8500000000000001 109.208 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -60.93 -45.66 93.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.388 -0.82 . . . . 1.78 109.853 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.91 -43.38 98.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.115 -0.99 . . . . 1.1699999999999999 109.218 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -57.99 -51.31 70.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.263 -0.898 . . . . 1.2 109.512 179.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.96 -37.28 86.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.734 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.36 66.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 1.0700000000000001 109.957 -179.611 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.3 mt -61.19 -44.71 96.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 109.485 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.33 -35.07 73.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.353 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.9 -51.85 59.68 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 1.3799999999999999 109.247 -179.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.56 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.267 -0.896 . . . . 2.6800000000000002 109.113 179.831 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -35.49 69.63 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.599 -0.688 . . . . 1.3400000000000001 109.417 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 1.3 109.685 -179.779 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.558 -0.534 . . . . 1.6699999999999999 109.558 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -95.91 149.53 21.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.251 -0.906 . . . . 1.01 109.669 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -140.19 138.33 35.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.348 -0.845 . . . . 0.63 108.951 179.429 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.91 163.16 12.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.366 -0.834 . . . . 1.1299999999999999 109.104 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 44.1 tp -149.24 134.0 17.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.143 -0.973 . . . . 1.1000000000000001 110.059 -179.334 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.65 32.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.759 -0.83 . . . . 1.3700000000000001 108.759 179.357 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.87 111.65 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.527 -0.733 . . . . 1.1499999999999999 109.502 -179.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 32.8 ttt-85 -74.65 156.2 36.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.385 -0.822 . . . . 2.77 109.837 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.84 138.58 4.25 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.14 -1.184 . . . . 0.42999999999999999 110.14 179.402 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.16 -48.5 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -1.061 . . . . 3.1200000000000001 109.359 179.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.72 -44.12 90.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.2200000000000002 109.329 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.58 -44.02 97.79 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.325 -0.859 . . . . 3.5 109.215 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.87 -57.49 10.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.545 -0.722 . . . . 0.5 109.597 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.1 -38.47 52.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 1.6899999999999999 109.872 -179.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.13 -51.15 67.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.185 -0.947 . . . . 1.1399999999999999 110.248 -179.366 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.03 -42.89 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.106 -0.996 . . . . 0.32000000000000001 109.097 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.57 -42.91 62.22 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.255 -0.903 . . . . 2.96 109.273 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.03 -45.59 94.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.75 109.855 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.01 -43.26 99.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.233 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.05 -51.28 70.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 1.22 109.531 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.97 -37.19 86.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 1.73 109.841 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.43 65.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 1.0700000000000001 109.96 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.23 -44.63 96.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.1100000000000001 109.47 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.31 -35.12 73.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.893 . . . . 1.9099999999999999 109.441 179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.93 -51.73 60.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.248 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.424 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.64 -43.15 99.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.239 -0.913 . . . . 2.1499999999999999 109.12 179.765 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -35.51 69.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 1.4399999999999999 109.474 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.79 80.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 1.3 109.798 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 1.3999999999999999 109.662 -179.887 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.294 0.568 . . . . 1.7 109.603 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.24 153.93 18.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.25 -0.906 . . . . 1.04 109.39 179.788 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.17 -173.02 3.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.314 -0.866 . . . . 0.65000000000000002 109.308 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -150.82 153.14 34.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.239 -0.913 . . . . 1.1399999999999999 108.957 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 30.1 tp -143.9 130.36 19.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 1.0900000000000001 109.722 -178.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -85.74 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.792 . . . . 1.3700000000000001 108.967 179.399 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.95 111.79 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.604 0.716 . . . . 1.1499999999999999 109.391 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.25 121.23 22.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.621 -0.674 . . . . 2.79 109.49 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.29 134.47 4.73 Favored Glycine 0 N--CA 1.501 3.022 0 N-CA-C 110.084 -1.207 . . . . 0.45000000000000001 110.084 179.512 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.94 -53.84 5.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -1.077 . . . . 3.1600000000000001 109.117 179.5 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.73 -42.63 79.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.297 -179.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.53 -44.63 90.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.4 -0.813 . . . . 3.54 108.897 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.63 -50.27 70.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.595 -0.691 . . . . 0.5 109.66 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.91 -39.87 63.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.263 -179.438 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.58 -45.54 92.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.13 -0.982 . . . . 1.1499999999999999 110.472 -179.277 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.61 -45.45 94.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.34000000000000002 109.564 -179.547 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.53 -39.61 58.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.148 -0.97 . . . . 2.9399999999999999 109.584 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.61 -53.54 56.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.74 109.865 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -60.39 -38.03 82.67 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.163 -0.96 . . . . 1.0700000000000001 108.829 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -59.06 -55.16 38.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 1.22 109.624 179.614 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.69 -32.67 74.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.72 109.877 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.63 64.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.192 -0.943 . . . . 1.0700000000000001 110.13 -179.407 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.63 -41.41 97.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 1.0800000000000001 109.744 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.01 -37.09 76.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.162 -0.961 . . . . 1.9099999999999999 109.54 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.07 -52.04 61.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.239 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.1 ttmp? -60.62 -42.36 96.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 2.1400000000000001 109.045 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.3 -39.17 75.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.715 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.98 66.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 1.3 109.839 -179.583 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.998 . . . . 1.4199999999999999 109.447 -179.976 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.257 0.551 . . . . 1.6100000000000001 109.606 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.16 153.93 18.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.294 -0.879 . . . . 0.96999999999999997 109.45 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.16 -173.01 3.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.364 -0.835 . . . . 0.59999999999999998 109.251 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.9 p -150.85 153.17 34.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.3 -0.875 . . . . 1.1000000000000001 108.929 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.91 130.4 20.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 1.1000000000000001 109.63 -178.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.7 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 1.3600000000000001 108.946 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.99 111.95 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.52 -0.738 . . . . 1.1699999999999999 109.355 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.3 121.3 22.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.69 . . . . 2.79 109.461 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.12 134.54 4.77 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.08 -1.208 . . . . 0.47999999999999998 110.08 179.519 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -81.96 -53.9 5.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.409 -1.053 . . . . 3.2200000000000002 109.08 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.72 -42.63 79.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.245 -0.909 . . . . 2.21 109.299 -179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.54 -44.64 90.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.331 -0.855 . . . . 3.5499999999999998 108.82 179.447 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.61 -50.3 70.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.562 -0.711 . . . . 0.52000000000000002 109.639 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.82 -40.02 62.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 1.6799999999999999 110.241 -179.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.49 -45.65 92.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 110.441 -179.189 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.51 -45.46 94.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.958 . . . . 0.33000000000000002 109.562 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.46 -39.7 57.98 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.163 -0.961 . . . . 3.02 109.545 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.6 -53.54 56.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 1.75 109.877 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.32 -38.1 82.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 108.883 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.94 -55.2 38.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.791 . . . . 1.21 109.644 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -63.74 -32.62 74.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 1.6899999999999999 109.919 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.58 65.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 1.0600000000000001 110.163 -179.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.69 -41.3 97.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 1.0800000000000001 109.713 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -59.14 -37.01 76.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.9299999999999999 109.509 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.1 -52.03 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 1.1399999999999999 109.254 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.1 ttmp? -60.6 -42.32 96.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.845 . . . . 2.1899999999999999 109.142 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -57.39 -39.17 75.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.655 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.307 -0.871 . . . . 1.3100000000000001 109.914 -179.654 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.323 0.582 . . . . 2.1099999999999999 109.591 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -93.26 153.92 18.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.188 -0.945 . . . . 1.01 109.358 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -138.14 -173.0 3.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.369 -0.832 . . . . 0.57999999999999996 109.242 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -150.79 153.27 35.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 1.1599999999999999 108.971 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.98 130.24 19.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 1.1699999999999999 109.665 -178.803 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.64 129.8 34.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.403 -0.811 . . . . 1.8100000000000001 108.977 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.96 111.85 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 109.37 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.26 121.26 22.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.681 . . . . 2.8199999999999998 109.506 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.23 134.56 4.76 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 110.097 -1.201 . . . . 0.45000000000000001 110.097 179.54 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -82.0 -53.86 5.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -1.088 . . . . 3.0800000000000001 109.08 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.67 -42.76 79.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 2.54 109.253 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.342 -0.849 . . . . 4.1100000000000003 108.829 179.559 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.62 -50.34 70.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.512 -0.742 . . . . 0.56999999999999995 109.563 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.93 -39.85 63.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.285 -0.884 . . . . 1.6599999999999999 110.227 -179.386 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.53 -45.64 92.02 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.136 -0.978 . . . . 1.29 110.464 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.48 -45.54 93.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.16 -0.963 . . . . 0.40000000000000002 109.559 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.5 -39.62 57.94 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.188 -0.945 . . . . 3.8500000000000001 109.562 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.64 -53.49 56.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 1.78 109.928 -179.67 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.24 -38.16 82.57 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.116 -0.99 . . . . 1.1699999999999999 108.87 179.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.96 -55.25 37.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.45 -0.781 . . . . 1.2 109.631 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.62 -32.71 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 2.1200000000000001 109.905 -179.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.59 65.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 110.128 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.66 -41.43 97.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 1.1399999999999999 109.694 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.97 -37.12 76.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 2.0899999999999999 109.552 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.07 -51.94 61.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 1.3799999999999999 109.209 -179.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.408 ' NZ ' ' CB ' ' C' ' 351' ' ' LYS . 3.1 ttmp? -60.69 -42.36 97.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 2.6800000000000002 109.084 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.3 -39.21 75.27 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.701 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 1.3 109.916 -179.625 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.266 0.555 . . . . 1.6699999999999999 109.646 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.2 153.84 18.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.232 -0.918 . . . . 1.01 109.417 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.13 -172.95 3.39 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.63 109.269 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -150.82 153.15 34.87 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 108.957 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.88 130.33 19.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.303 -0.873 . . . . 1.1000000000000001 109.784 -178.858 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.72 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 108.971 179.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.01 111.86 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.624 0.726 . . . . 1.1499999999999999 109.332 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.27 121.23 22.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.545 -0.722 . . . . 2.77 109.46 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.18 134.54 4.76 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 110.128 -1.189 . . . . 0.42999999999999999 110.128 179.515 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.95 -53.83 5.82 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.463 -1.022 . . . . 3.1200000000000001 109.173 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -56.77 -42.66 79.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.251 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.51 -44.63 90.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.353 -0.842 . . . . 3.5 108.866 179.492 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.55 -50.38 70.19 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.606 -0.684 . . . . 0.5 109.64 179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.89 -39.94 63.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.845 . . . . 1.6899999999999999 110.253 -179.411 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -62.45 -45.64 92.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.162 -0.961 . . . . 1.1399999999999999 110.469 -179.278 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.5 -45.52 93.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.32000000000000001 109.554 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -51.51 -39.66 58.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.116 -0.99 . . . . 2.96 109.473 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.62 -53.49 56.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.27 -38.24 82.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 1.0800000000000001 108.833 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.91 -55.21 38.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.418 -0.801 . . . . 1.22 109.635 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -63.68 -32.67 74.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 1.73 109.927 -179.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.23 -52.67 64.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 110.179 -179.456 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.68 -41.38 97.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 1.1100000000000001 109.719 -179.567 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -58.98 -37.09 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.12 -0.988 . . . . 1.9099999999999999 109.514 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.15 -51.97 61.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.283 -0.885 . . . . 1.1699999999999999 109.248 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.62 -42.42 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.299 -0.876 . . . . 2.1499999999999999 109.057 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.21 -39.3 75.19 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.499 -0.751 . . . . 1.4399999999999999 109.679 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -26.95 66.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.3 109.906 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.206 -0.934 . . . . 1.3999999999999999 109.362 -179.916 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.284 0.564 . . . . 1.7 110.036 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -95.71 160.31 14.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.302 -0.874 . . . . 1.04 109.244 179.403 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.2 -168.74 2.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.381 -0.824 . . . . 0.65000000000000002 109.526 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.17 151.69 32.27 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.56 -0.904 . . . . 1.1399999999999999 108.56 179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -144.82 136.85 25.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 1.0900000000000001 109.825 -178.816 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -85.11 130.31 34.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.327 -0.99 . . . . 1.3700000000000001 108.327 178.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.23 111.31 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 CA-C-O 121.669 0.747 . . . . 1.1499999999999999 109.394 -179.578 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.76 143.12 46.2 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.689 -0.632 . . . . 2.79 109.856 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.12 133.8 7.42 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.205 -1.158 . . . . 0.45000000000000001 110.205 179.462 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -80.89 -50.4 9.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.466 -1.02 . . . . 3.1600000000000001 109.599 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.83 -40.81 85.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.949 -1.094 . . . . 2.2200000000000002 109.071 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.2 -40.54 97.78 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.296 -0.878 . . . . 3.54 109.154 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.47 -55.81 27.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.628 -0.67 . . . . 0.5 109.872 -179.623 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.48 51.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 1.6599999999999999 109.809 -179.695 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -53.3 54.73 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.235 -0.915 . . . . 1.1499999999999999 110.172 -179.4 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.25 -44.08 97.83 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.074 -1.016 . . . . 0.34000000000000002 109.106 -179.663 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.44 -45.46 62.68 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.292 -0.88 . . . . 2.9399999999999999 109.525 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.81 -44.31 97.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.34 -0.85 . . . . 1.74 109.9 -179.732 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.37 -41.32 96.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 109.446 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -58.39 -52.79 64.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.22 109.458 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.98 -33.67 74.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 1.72 109.737 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.46 65.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 1.0700000000000001 109.996 -179.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.1 -44.22 97.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.171 -0.955 . . . . 1.0800000000000001 109.567 -179.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.26 -40.1 80.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.347 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.36 -37.75 88.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 109.157 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -41.18 98.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.904 0.859 . . . . 2.1400000000000001 108.769 179.518 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.78 -34.77 65.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.504 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -32.57 73.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 1.3 109.354 179.831 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.313 -0.867 . . . . 1.4199999999999999 109.757 -179.95 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.305 0.574 . . . . 1.6100000000000001 110.076 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -95.66 160.38 14.53 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.274 -0.891 . . . . 0.96999999999999997 109.284 179.391 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -139.15 -168.71 2.5 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.406 -0.809 . . . . 0.59999999999999998 109.463 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.3 151.55 31.94 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.586 -0.894 . . . . 1.1000000000000001 108.586 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.75 136.96 26.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.277 -0.889 . . . . 1.1000000000000001 109.833 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.2 130.29 34.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.357 -0.979 . . . . 1.3600000000000001 108.357 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.24 111.28 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.697 0.761 . . . . 1.1699999999999999 109.389 -179.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.78 143.17 46.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.123 -0.631 . . . . 2.79 109.894 -179.725 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.14 133.9 7.47 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.193 -1.163 . . . . 0.47999999999999998 110.193 179.5 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.0 -50.39 9.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.484 -1.009 . . . . 3.2200000000000002 109.62 179.792 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.74 -40.97 85.36 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.918 -1.114 . . . . 2.21 109.052 179.705 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.6 98.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.29 -0.881 . . . . 3.5499999999999998 109.163 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -55.52 -55.75 28.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.615 -0.678 . . . . 0.52000000000000002 109.918 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.81 -37.48 51.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 1.6799999999999999 109.779 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.33 -53.3 54.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 110.185 -179.396 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.24 -44.02 97.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.15 -0.969 . . . . 0.33000000000000002 109.117 -179.661 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.57 -45.38 63.07 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.302 -0.874 . . . . 3.02 109.475 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.83 -44.32 97.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 1.75 109.876 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.44 -41.32 97.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.99 . . . . 1.0700000000000001 109.387 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -58.34 -52.76 64.24 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.314 -0.866 . . . . 1.21 109.524 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.61 74.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.681 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.48 65.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.0600000000000001 109.998 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.94 -44.24 97.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 1.0800000000000001 109.623 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.3 -40.23 81.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 1.9299999999999999 109.237 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.17 -37.66 88.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.281 -0.887 . . . . 1.1399999999999999 109.176 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.75 -41.37 99.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.842 . . . . 2.1899999999999999 108.799 179.379 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.76 -34.63 65.41 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.642 -0.662 . . . . 1.4299999999999999 109.507 179.868 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.42 -0.8 . . . . 1.3100000000000001 109.362 179.865 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.216 0.531 . . . . 2.1099999999999999 110.088 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -95.83 160.29 14.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 1.01 109.303 179.385 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -139.1 -168.8 2.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.398 -0.814 . . . . 0.57999999999999996 109.458 -179.597 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -151.17 151.62 32.17 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.555 -0.905 . . . . 1.1599999999999999 108.555 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.73 137.05 26.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 1.1699999999999999 109.734 -178.785 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.29 34.63 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 1.8100000000000001 108.252 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.22 111.32 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 121.617 0.722 . . . . 1.1299999999999999 109.323 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.81 143.16 46.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.685 -0.634 . . . . 2.8199999999999998 109.837 -179.762 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.08 134.15 7.55 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 110.184 -1.166 . . . . 0.45000000000000001 110.184 179.481 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -81.2 -50.39 9.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.507 -0.996 . . . . 3.0800000000000001 109.605 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.72 -40.91 85.12 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.909 -1.119 . . . . 2.54 109.082 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.16 -40.61 98.03 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.327 -0.858 . . . . 4.1100000000000003 109.211 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.39 -55.83 27.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.642 -0.661 . . . . 0.56999999999999995 109.923 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.79 -37.52 51.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -0.897 . . . . 1.6599999999999999 109.752 -179.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.3 -53.38 53.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.142 -0.974 . . . . 1.29 110.136 -179.384 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.2 -44.12 97.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.16 -179.657 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.45 -45.45 62.71 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.354 -0.841 . . . . 3.8500000000000001 109.503 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.7 -44.52 96.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.78 109.9 -179.776 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.32 -41.35 96.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.141 -0.974 . . . . 1.1699999999999999 109.385 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.291 -0.881 . . . . 1.2 109.489 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.67 74.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 2.1200000000000001 109.651 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.52 65.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.324 -0.86 . . . . 1.0700000000000001 109.988 -179.455 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.94 -44.24 97.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 1.1399999999999999 109.6 -179.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.25 -40.17 81.09 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.323 -0.861 . . . . 2.0899999999999999 109.297 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -37.74 88.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 1.3799999999999999 109.09 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.66 -41.36 99.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.842 . . . . 2.6800000000000002 108.827 179.357 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.7 -34.72 65.34 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.548 -0.72 . . . . 1.3400000000000001 109.549 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.314 -0.866 . . . . 1.3 109.393 179.843 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.294 0.568 . . . . 1.6699999999999999 110.023 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -95.73 160.33 14.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.307 -0.87 . . . . 1.01 109.296 179.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.21 -168.79 2.52 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.375 -0.828 . . . . 0.63 109.508 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.2 p -151.27 151.45 31.84 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.555 -0.906 . . . . 1.1299999999999999 108.555 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.61 137.02 26.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.298 -0.876 . . . . 1.1000000000000001 109.828 -178.743 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.28 34.63 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.331 -0.989 . . . . 1.3700000000000001 108.331 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.636 0.731 . . . . 1.1499999999999999 109.312 -179.527 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.91 143.22 45.86 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.691 -0.63 . . . . 2.77 109.802 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.15 133.95 7.49 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.173 -1.171 . . . . 0.42999999999999999 110.173 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.08 -50.33 9.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -1.053 . . . . 3.1200000000000001 109.594 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.79 -40.9 85.39 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.87 -1.143 . . . . 2.2200000000000002 109.073 179.691 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.63 98.2 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.306 -0.872 . . . . 3.5 109.221 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.42 -55.8 27.54 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.683 -0.636 . . . . 0.5 109.928 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.52 51.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.325 -0.859 . . . . 1.6899999999999999 109.758 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.33 -53.26 55.46 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 110.183 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.35 -43.96 97.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.32000000000000001 109.105 -179.655 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.54 -45.46 62.99 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.36 -0.837 . . . . 2.96 109.483 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.7 -44.43 96.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 1.75 109.914 -179.761 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.4 -41.3 96.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.112 -0.993 . . . . 1.0800000000000001 109.406 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.34 -52.8 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.266 -0.897 . . . . 1.22 109.487 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.15 -33.56 74.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 1.73 109.711 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.36 65.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 109.999 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.13 -44.13 97.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.217 -0.927 . . . . 1.1100000000000001 109.532 -179.774 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.32 -40.16 81.33 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.276 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.35 -37.7 88.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 109.163 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.6 -41.4 98.95 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.957 0.884 . . . . 2.1499999999999999 108.785 179.429 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.67 -34.8 65.33 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.483 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.55 73.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.349 -0.845 . . . . 1.3 109.324 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.846 . . . . 1.3999999999999999 109.771 -179.972 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.199 0.523 . . . . 1.7 109.802 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.47 152.26 18.57 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.254 -0.904 . . . . 1.04 109.178 179.437 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.86 -175.16 3.87 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.884 . . . . 0.65000000000000002 109.416 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -150.79 149.52 29.84 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.219 -0.926 . . . . 1.1399999999999999 108.712 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.53 133.16 25.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.243 -0.911 . . . . 1.0900000000000001 109.78 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.46 128.5 34.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.455 -0.778 . . . . 1.3700000000000001 108.93 179.402 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.92 112.42 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.508 -0.745 . . . . 1.1499999999999999 109.125 -179.772 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -75.72 151.3 37.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 2.79 109.651 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.57 9.67 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.115 -1.194 . . . . 0.45000000000000001 110.115 179.523 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -83.14 -56.54 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.43 -1.041 . . . . 3.1600000000000001 109.56 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -57.91 -38.18 75.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.2200000000000002 109.493 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.32 -44.1 97.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.21 -0.932 . . . . 3.54 109.067 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.22 -53.78 53.13 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.595 -0.691 . . . . 0.5 109.551 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.78 56.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.431 -0.793 . . . . 1.6599999999999999 110.063 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.13 -49.16 76.98 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.199 -0.938 . . . . 1.1499999999999999 110.167 -179.428 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.18 -45.41 94.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 0.34000000000000002 109.17 -179.835 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.2 -42.22 60.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 2.9399999999999999 109.365 179.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.69 -50.25 74.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.74 109.652 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.97 -40.78 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 108.633 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.12 -54.32 48.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.539 -0.726 . . . . 1.22 109.649 179.676 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -61.68 -34.57 75.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.383 -0.823 . . . . 1.72 109.439 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -51.67 68.75 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.356 -0.84 . . . . 1.0700000000000001 109.639 -179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.45 -47.24 86.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -0.989 . . . . 1.0800000000000001 108.957 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.22 -25.69 61.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 108.609 179.474 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -58.2 6.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.463 -0.939 . . . . 1.1499999999999999 108.463 179.624 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.91 89.53 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.864 0.84 . . . . 2.1400000000000001 108.779 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.75 -33.45 70.28 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.376 0.608 . . . . 1.4299999999999999 109.533 179.391 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.19 88.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.207 -0.933 . . . . 1.3 109.763 -179.673 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.199 -0.938 . . . . 1.4199999999999999 109.52 -179.926 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.16 0.505 . . . . 1.6100000000000001 109.769 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.53 152.3 18.55 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.164 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.8 -175.14 3.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.329 -0.857 . . . . 0.59999999999999998 109.434 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -150.78 149.4 29.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.28 -0.888 . . . . 1.1000000000000001 108.791 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.6 tp -142.39 133.37 25.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 1.1000000000000001 109.831 -178.66 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.58 128.44 34.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.385 -0.822 . . . . 1.3600000000000001 108.934 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.89 112.38 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.763 . . . . 1.1699999999999999 109.143 -179.754 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.75 151.37 37.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.403 -0.811 . . . . 2.79 109.637 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.61 139.54 9.61 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.091 -1.203 . . . . 0.47999999999999998 110.091 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.14 -56.59 3.7 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.472 -1.016 . . . . 3.2200000000000002 109.46 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.95 -38.19 75.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 2.21 109.466 -179.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.1 97.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.233 -0.917 . . . . 3.5499999999999998 109.029 179.795 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -56.21 -53.7 54.01 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.577 -0.702 . . . . 0.52000000000000002 109.681 179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.74 -38.8 56.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.0 -179.733 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.17 -49.17 76.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.168 -0.958 . . . . 1.1499999999999999 110.147 -179.443 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.11 -45.38 94.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 0.33000000000000002 109.226 -179.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.29 60.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 3.02 109.281 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.53 -50.29 74.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.297 -0.877 . . . . 1.75 109.656 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -40.78 94.73 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.638 -0.875 . . . . 1.0700000000000001 108.638 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.21 -54.27 48.81 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.468 -0.77 . . . . 1.21 109.62 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.65 -34.74 76.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.378 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.06 -51.63 68.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.403 -0.811 . . . . 1.0600000000000001 109.665 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.47 -47.0 87.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 109.001 179.567 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -25.56 62.58 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.608 -0.886 . . . . 1.9299999999999999 108.608 179.532 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -58.25 6.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.47 -0.937 . . . . 1.1399999999999999 108.47 179.562 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.94 89.63 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.806 -0.813 . . . . 2.1899999999999999 108.806 -179.675 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.77 -33.45 70.31 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 109.476 -0.565 . . . . 1.4299999999999999 109.476 179.371 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.863 . . . . 1.3100000000000001 109.807 -179.682 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.243 0.544 . . . . 2.1099999999999999 109.802 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.56 152.12 18.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.248 -0.908 . . . . 1.01 109.193 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.66 -175.06 3.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.354 -0.841 . . . . 0.57999999999999996 109.395 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.73 149.46 29.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.243 -0.91 . . . . 1.1599999999999999 108.742 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.0 tp -142.5 133.33 25.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.22 -0.925 . . . . 1.1699999999999999 109.772 -178.726 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.58 128.49 34.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 1.8100000000000001 108.954 179.38 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.96 112.42 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.579 -0.7 . . . . 1.1299999999999999 109.115 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.372 -0.83 . . . . 2.8199999999999998 109.57 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.54 9.6 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.148 -1.181 . . . . 0.45000000000000001 110.148 179.558 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -83.09 -56.52 3.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.458 -1.024 . . . . 3.0800000000000001 109.602 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -58.0 -38.21 75.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 2.54 109.442 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.01 97.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.265 -0.897 . . . . 4.1100000000000003 109.118 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.3 -53.69 54.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.527 -0.733 . . . . 0.56999999999999995 109.561 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.82 56.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 1.6599999999999999 110.059 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.2 -49.19 76.76 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 1.29 110.081 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.11 -45.29 95.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.142 -0.974 . . . . 0.40000000000000002 109.323 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.3 -42.16 60.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.22 -0.925 . . . . 3.8500000000000001 109.367 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.74 -50.14 75.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 1.78 109.655 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.04 -40.72 94.71 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.19 -0.944 . . . . 1.1699999999999999 108.636 179.652 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.26 -54.2 49.53 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.505 -0.747 . . . . 1.2 109.659 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.63 -34.78 76.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.408 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.66 68.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.317 -0.865 . . . . 1.0700000000000001 109.621 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.51 -46.9 88.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 1.1399999999999999 109.044 179.646 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.57 -25.59 62.7 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.542 -0.911 . . . . 2.0899999999999999 108.542 179.524 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -58.26 6.66 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.43 -0.952 . . . . 1.3799999999999999 108.43 179.636 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.64 -40.96 89.39 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.852 0.834 . . . . 2.6800000000000002 108.81 -179.669 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.76 -33.43 70.27 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.805 -0.559 . . . . 1.3400000000000001 109.517 179.421 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 1.3 109.781 -179.687 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.225 0.536 . . . . 1.6699999999999999 109.746 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -95.67 152.31 18.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 1.01 109.119 179.487 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.76 -175.13 3.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.275 -0.891 . . . . 0.63 109.404 -179.866 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.8 149.45 29.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 1.1299999999999999 108.755 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.41 133.36 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -0.864 . . . . 1.1000000000000001 109.8 -178.654 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.57 128.39 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.372 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.84 112.36 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.577 -0.702 . . . . 1.1499999999999999 109.159 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.76 151.38 37.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 2.77 109.575 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.58 9.62 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.143 -1.183 . . . . 0.42999999999999999 110.143 179.56 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.17 -56.55 3.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.483 -1.01 . . . . 3.1200000000000001 109.541 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.94 -38.24 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 2.2200000000000002 109.516 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.31 -44.03 97.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.291 -0.881 . . . . 3.5 109.059 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.24 -53.74 53.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.602 -0.686 . . . . 0.5 109.626 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.69 -38.84 56.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 1.6899999999999999 110.007 -179.692 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.15 -49.18 76.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.147 -0.971 . . . . 1.1399999999999999 110.124 -179.408 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.18 -45.29 95.21 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.207 -0.933 . . . . 0.32000000000000001 109.237 -179.871 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.24 -42.28 60.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 2.96 109.343 179.69 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.66 -50.26 74.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.89 . . . . 1.75 109.572 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.89 -40.81 94.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.977 . . . . 1.0800000000000001 108.693 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.19 -54.31 48.41 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.497 -0.752 . . . . 1.22 109.667 179.651 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.64 -34.55 75.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 1.73 109.404 -179.918 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.67 68.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.625 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.5 -47.29 86.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.146 -0.971 . . . . 1.1100000000000001 108.911 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.19 -25.66 61.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.645 -0.872 . . . . 1.9099999999999999 108.645 179.49 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -58.18 6.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.469 -0.938 . . . . 1.1699999999999999 108.469 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.67 -40.98 89.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.866 0.841 . . . . 2.1499999999999999 108.732 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.7 -33.35 70.09 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.323 0.582 . . . . 1.4399999999999999 109.537 179.408 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 1.3 109.694 -179.617 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 1.3999999999999999 109.535 -179.947 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.283 0.563 . . . . 1.7 109.707 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -93.44 157.29 16.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 1.04 109.246 179.742 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.49 -170.61 2.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.695 -179.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.49 149.59 31.01 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.534 -0.913 . . . . 1.1399999999999999 108.534 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.26 135.8 29.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.28 -0.888 . . . . 1.0900000000000001 109.628 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.34 131.37 34.41 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.58 -0.896 . . . . 1.3700000000000001 108.58 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.39 112.35 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.497 -0.752 . . . . 1.1499999999999999 109.533 -179.462 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -74.99 138.78 42.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.635 -0.666 . . . . 2.79 109.314 179.524 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.04 135.22 8.82 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.716 -1.354 . . . . 0.45000000000000001 109.716 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.04 -45.76 11.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.308 -1.113 . . . . 3.1600000000000001 109.536 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.74 -42.72 93.82 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.18 -0.95 . . . . 2.2200000000000002 109.656 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.461 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -66.46 -37.36 84.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.154 -0.966 . . . . 3.54 109.662 -179.751 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.88 -52.36 60.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.437 -0.789 . . . . 0.5 109.445 -179.846 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.77 -35.61 63.97 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.575 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.28 -53.17 53.11 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 1.1499999999999999 110.515 -179.341 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.057 -1.027 . . . . 0.34000000000000002 109.046 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.12 -45.87 61.71 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.286 -0.884 . . . . 2.9399999999999999 109.408 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.48 -45.88 92.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 1.74 109.713 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.1 -42.46 98.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.895 . . . . 1.0700000000000001 109.267 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.65 -50.83 72.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 1.22 109.41 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.49 -35.93 82.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.72 109.711 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.11 26.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 109.973 -179.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.93 -42.3 97.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.96 . . . . 1.0800000000000001 109.371 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.56 -36.25 78.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 1.9099999999999999 109.258 179.493 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.65 -49.89 71.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 109.103 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -63.54 -49.13 74.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.377 -0.827 . . . . 2.1400000000000001 108.852 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.14 -35.04 70.94 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.713 -0.617 . . . . 1.4299999999999999 109.346 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.79 66.25 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 1.3 109.198 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 1.4199999999999999 109.22 179.797 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.177 0.513 . . . . 1.6100000000000001 109.792 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -93.44 157.24 16.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.96999999999999997 109.344 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.47 -170.64 2.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.873 . . . . 0.59999999999999998 109.715 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.57 149.47 30.75 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.5 -0.926 . . . . 1.1000000000000001 108.5 -179.979 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -142.17 135.86 29.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.695 -178.633 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.36 131.45 34.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.522 -0.918 . . . . 1.3600000000000001 108.522 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 112.24 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.389 -0.819 . . . . 1.1699999999999999 109.563 -179.477 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.02 138.75 42.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.657 -0.652 . . . . 2.79 109.354 179.532 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.16 8.8 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.748 -1.341 . . . . 0.47999999999999998 109.748 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.13 -45.54 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.276 -1.132 . . . . 3.2200000000000002 109.597 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.89 -42.7 94.38 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.204 -0.935 . . . . 2.21 109.587 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.454 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.2 ttm-85 -66.41 -37.35 85.02 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.203 -0.935 . . . . 3.5499999999999998 109.696 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -53.87 -52.4 60.58 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.52000000000000002 109.497 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.71 -35.61 63.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.619 179.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.24 -53.18 53.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 1.1499999999999999 110.488 -179.35 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.21 -43.36 96.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.041 -1.037 . . . . 0.33000000000000002 108.989 -179.652 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.17 -45.93 61.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 3.02 109.355 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.47 -45.78 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -0.913 . . . . 1.75 109.782 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.09 -42.47 98.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 109.243 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.66 -50.88 72.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.213 -0.929 . . . . 1.21 109.439 179.872 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.41 -35.98 82.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 109.725 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.01 27.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 109.973 -179.574 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.13 -42.17 98.05 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -0.946 . . . . 1.0800000000000001 109.304 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.63 -36.2 78.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.239 -0.913 . . . . 1.9299999999999999 109.255 179.497 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.71 -49.87 71.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.34 -0.85 . . . . 1.1399999999999999 109.107 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.58 -49.04 74.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.359 -0.838 . . . . 2.1899999999999999 108.851 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.25 -35.03 71.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.299 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 1.3100000000000001 109.185 179.879 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.239 0.542 . . . . 2.1099999999999999 109.656 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 157.3 16.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.256 -0.903 . . . . 1.01 109.292 179.692 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.43 -170.6 2.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.27 -0.894 . . . . 0.57999999999999996 109.651 -179.501 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -149.59 149.6 30.94 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.472 -0.936 . . . . 1.1599999999999999 108.472 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.24 135.73 29.14 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.7 -178.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.24 131.45 34.42 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.588 -0.893 . . . . 1.8100000000000001 108.588 179.157 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.45 112.29 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 121.635 0.731 . . . . 1.1299999999999999 109.548 -179.456 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.05 138.84 42.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.65 -0.656 . . . . 2.8199999999999998 109.338 179.559 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.07 135.21 8.82 Favored Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.673 -1.371 . . . . 0.45000000000000001 109.673 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -85.13 -45.61 11.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.361 -1.082 . . . . 3.0800000000000001 109.527 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.83 -42.7 94.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 2.54 109.611 -179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.2 ttm-85 -66.53 -37.27 84.65 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.196 -0.94 . . . . 4.1100000000000003 109.687 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -53.83 -52.48 60.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.359 -0.838 . . . . 0.56999999999999995 109.399 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.83 -35.5 64.01 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.605 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.31 -53.14 53.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.294 -0.879 . . . . 1.29 110.457 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.15 -43.41 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.989 -1.069 . . . . 0.40000000000000002 109.069 -179.739 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.1 -45.97 61.7 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.325 -0.86 . . . . 3.8500000000000001 109.349 179.696 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.5 -45.77 92.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 1.78 109.719 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.17 -42.46 98.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.132 -0.98 . . . . 1.1699999999999999 109.227 -179.896 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.6 -50.88 72.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.225 -0.922 . . . . 1.2 109.476 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.44 -35.97 82.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1200000000000001 109.728 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.91 29.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 1.0700000000000001 110.027 -179.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.17 -42.13 98.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 1.1399999999999999 109.354 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.73 -36.13 78.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.227 -0.921 . . . . 2.0899999999999999 109.231 179.522 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.73 -49.9 71.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 1.3799999999999999 109.072 179.844 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.48 -49.1 74.93 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 2.6800000000000002 108.866 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.18 -35.1 71.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.638 -0.664 . . . . 1.3400000000000001 109.262 179.767 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.851 . . . . 1.3 109.194 179.923 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.264 0.554 . . . . 1.6699999999999999 109.7 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -93.45 157.34 16.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.175 -0.953 . . . . 1.01 109.238 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.53 -170.56 2.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.63 109.69 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -149.56 149.49 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.488 -0.93 . . . . 1.1299999999999999 108.488 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.23 135.8 29.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.296 -0.877 . . . . 1.1000000000000001 109.699 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.28 131.46 34.41 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.593 -0.892 . . . . 1.3700000000000001 108.593 179.161 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.47 112.42 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.416 -0.803 . . . . 1.1499999999999999 109.481 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.11 138.66 42.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.371 -0.603 . . . . 2.77 109.371 179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.16 135.14 8.79 Favored Glycine 0 N--CA 1.498 2.812 0 N-CA-C 109.685 -1.366 . . . . 0.42999999999999999 109.685 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.06 -45.61 11.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.341 -1.093 . . . . 3.1200000000000001 109.567 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.81 -42.86 94.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 2.2200000000000002 109.522 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.1 ttm-85 -66.27 -37.41 85.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 3.5 109.688 -179.773 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -53.88 -52.43 60.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.5 109.474 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.78 -35.46 63.85 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.33 -0.856 . . . . 1.6899999999999999 109.665 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.43 -53.02 54.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.361 -0.837 . . . . 1.1399999999999999 110.482 -179.338 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.22 -43.44 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.32000000000000001 109.067 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.04 -45.91 61.46 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 2.96 109.408 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.53 -45.81 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 1.75 109.716 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.09 -42.52 98.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.23 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -58.63 -50.93 72.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.301 -0.875 . . . . 1.22 109.387 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.43 -35.98 82.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.311 -0.868 . . . . 1.73 109.754 -179.862 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -56.02 27.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 1.0700000000000001 110.035 -179.662 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.23 -42.11 98.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.165 -0.959 . . . . 1.1100000000000001 109.289 -179.719 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.75 -36.1 78.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.215 -0.928 . . . . 1.9099999999999999 109.203 179.556 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.74 -49.75 71.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 1.1699999999999999 109.106 179.875 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -63.55 -49.15 74.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.45 -0.781 . . . . 2.1499999999999999 108.921 179.605 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.1 -35.17 71.04 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.634 -0.666 . . . . 1.4399999999999999 109.285 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -24.79 66.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.337 -0.852 . . . . 1.3 109.23 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.864 . . . . 1.3999999999999999 109.253 179.772 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.329 0.585 . . . . 1.7 109.767 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.48 157.6 15.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.237 -0.914 . . . . 1.04 109.312 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.08 -171.79 3.03 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.297 -0.877 . . . . 0.65000000000000002 109.355 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.17 28.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.184 -0.947 . . . . 1.1399999999999999 108.75 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.6 tp -141.43 135.22 30.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.308 -0.87 . . . . 1.0900000000000001 109.574 -178.761 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.68 131.42 34.34 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.203 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.5 115.94 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.489 -0.757 . . . . 1.1499999999999999 109.427 -179.525 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.05 151.44 38.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.546 -0.721 . . . . 2.79 109.698 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 136.93 3.94 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.273 -1.131 . . . . 0.45000000000000001 110.273 179.347 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.46 -48.43 11.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 3.1600000000000001 109.434 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.36 -40.09 85.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.496 179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.49 -40.65 97.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.27 -0.893 . . . . 3.54 109.398 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.29 -54.62 41.24 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.611 -0.68 . . . . 0.5 110.03 -179.78 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.72 -38.31 54.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 110.048 -179.685 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.46 -50.45 71.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.125 -179.272 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.12 -45.66 93.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.133 -0.98 . . . . 0.34000000000000002 109.173 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.43 -40.78 60.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.193 -0.942 . . . . 2.9399999999999999 109.467 179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.69 -53.67 54.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.74 109.881 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.15 -38.37 82.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 108.593 179.84 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.23 -55.0 40.49 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 1.22 109.524 179.576 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.35 -31.84 73.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 1.72 109.846 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.31 -51.01 71.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.305 -0.872 . . . . 1.0700000000000001 109.911 -179.561 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.76 -43.28 99.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.171 -0.956 . . . . 1.0800000000000001 109.313 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.22 -37.75 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.343 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.3 -39.97 94.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 1.1499999999999999 108.87 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.48 -43.93 95.85 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.879 0.847 . . . . 2.1400000000000001 108.806 179.338 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -54.76 -30.86 57.67 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.243 0.544 . . . . 1.4299999999999999 109.72 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.58 40.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 1.3 109.452 -179.94 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.494 ' NE2' ' CD2' ' B' ' 350' ' ' LEU . 33.3 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 1.4199999999999999 109.599 -179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.319 0.581 . . . . 1.6100000000000001 109.774 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.39 157.64 15.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.251 -0.906 . . . . 0.96999999999999997 109.327 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.12 -171.86 3.05 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.59999999999999998 109.332 -179.824 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.18 28.11 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.162 -0.961 . . . . 1.1000000000000001 108.837 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -141.35 135.18 30.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.38 -0.825 . . . . 1.1000000000000001 109.62 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.68 131.37 34.35 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.2 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.45 115.94 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.537 -0.727 . . . . 1.1699999999999999 109.467 -179.53 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -75.07 151.44 38.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.499 -0.751 . . . . 2.79 109.666 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.82 3.89 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.26 -1.136 . . . . 0.47999999999999998 110.26 179.323 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.38 -48.41 11.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -1.068 . . . . 3.2200000000000002 109.422 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.22 -40.3 85.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 2.21 109.477 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.37 -40.68 97.9 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.25 -0.906 . . . . 3.5499999999999998 109.386 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.4 -54.61 41.59 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.557 -0.714 . . . . 0.52000000000000002 109.889 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -51.82 -38.27 55.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.952 -179.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.47 -50.45 71.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 110.201 -179.309 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.09 -45.67 93.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.109 -0.994 . . . . 0.33000000000000002 109.23 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.44 -40.68 59.87 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.169 -0.957 . . . . 3.02 109.55 179.727 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.64 -53.87 52.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 1.75 109.829 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.01 -38.39 82.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.115 -0.991 . . . . 1.0700000000000001 108.636 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.24 -54.98 40.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.497 -0.752 . . . . 1.21 109.577 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.29 -31.89 73.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.843 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.94 71.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 1.0600000000000001 109.99 -179.535 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.74 -43.29 99.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 1.0800000000000001 109.325 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.26 -37.76 75.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 1.9299999999999999 109.265 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.494 ' CD2' ' NE2' ' A' ' 354' ' ' GLN . 4.6 tp -64.24 -39.86 94.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.1399999999999999 108.877 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.49 -44.04 95.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.403 -0.811 . . . . 2.1899999999999999 108.938 179.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.8 -30.76 57.85 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.245 0.545 . . . . 1.4299999999999999 109.744 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 1.3100000000000001 109.486 -179.927 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.22 0.533 . . . . 2.1099999999999999 109.819 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.45 157.67 15.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.234 -0.917 . . . . 1.01 109.296 179.663 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.09 -171.83 3.04 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.298 -0.876 . . . . 0.57999999999999996 109.403 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.89 148.25 28.21 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.295 -0.878 . . . . 1.1599999999999999 108.752 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.43 135.18 30.09 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.354 -0.841 . . . . 1.1699999999999999 109.619 -178.729 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.71 131.47 34.33 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.609 -0.886 . . . . 1.8100000000000001 108.609 179.217 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.4 mt -123.56 115.95 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.486 -0.759 . . . . 1.1299999999999999 109.485 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.04 151.47 38.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 2.8199999999999998 109.675 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.87 3.91 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.273 -1.131 . . . . 0.45000000000000001 110.273 179.324 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.41 -48.47 11.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.408 -1.054 . . . . 3.0800000000000001 109.456 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.211 -0.931 . . . . 2.54 109.501 179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.42 -40.65 97.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.25 -0.906 . . . . 4.1100000000000003 109.46 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.34 -54.68 40.59 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.484 -0.76 . . . . 0.56999999999999995 110.01 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.68 -38.3 54.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 1.6599999999999999 110.053 -179.726 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.43 -50.49 71.3 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.183 -0.948 . . . . 1.29 110.155 -179.321 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.08 -45.71 93.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.242 -0.912 . . . . 0.40000000000000002 109.189 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.39 -40.83 60.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 3.8500000000000001 109.447 179.745 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.52 -53.85 52.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.228 -0.92 . . . . 1.78 109.9 -179.659 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.04 -38.42 82.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.139 -0.976 . . . . 1.1699999999999999 108.63 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.15 -54.99 40.65 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.482 -0.761 . . . . 1.2 109.56 179.583 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.37 -31.89 73.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 2.1200000000000001 109.789 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.29 -51.0 71.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.906 -179.497 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 1.1399999999999999 109.354 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -58.27 -37.76 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.0899999999999999 109.263 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.49 ' CD2' ' NE2' ' D' ' 354' ' ' GLN . 4.5 tp -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 1.3799999999999999 108.851 179.894 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.36 -44.17 95.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.351 -0.843 . . . . 2.6800000000000002 108.987 179.135 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.81 -30.71 57.79 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.218 0.533 . . . . 1.3400000000000001 109.787 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 1.3 109.482 -179.973 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.295 0.569 . . . . 1.6699999999999999 109.737 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.51 157.58 15.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.215 -0.928 . . . . 1.01 109.289 179.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.94 -171.77 3.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.338 -0.851 . . . . 0.63 109.398 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 27.5 p -150.96 148.26 28.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.163 -0.96 . . . . 1.1299999999999999 108.75 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.48 135.23 30.05 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.831 . . . . 1.1000000000000001 109.544 -178.708 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.73 131.42 34.33 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.716 -0.846 . . . . 1.3700000000000001 108.716 179.197 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.53 115.94 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.436 -0.79 . . . . 1.1499999999999999 109.432 -179.504 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -74.94 151.39 38.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 2.77 109.722 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.36 136.99 3.98 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.172 -1.171 . . . . 0.42999999999999999 110.172 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.58 -48.36 11.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.385 -1.067 . . . . 3.1200000000000001 109.502 179.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -59.27 -40.24 85.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.291 -0.881 . . . . 2.2200000000000002 109.492 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.38 -40.7 97.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.296 -0.878 . . . . 3.5 109.409 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -55.34 -54.58 41.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.605 -0.685 . . . . 0.5 109.958 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -51.83 -38.25 55.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.981 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.49 -50.35 71.76 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 110.227 -179.316 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -61.14 -45.62 93.89 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.32000000000000001 109.211 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.45 -40.85 60.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.927 . . . . 2.96 109.441 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.54 -53.85 52.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.75 109.863 -179.597 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.07 -38.36 82.64 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.129 -0.982 . . . . 1.0800000000000001 108.584 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.19 -54.96 40.98 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.53 -0.731 . . . . 1.22 109.548 179.592 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.45 -31.75 73.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.842 . . . . 1.73 109.857 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.34 -51.06 71.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 109.906 -179.585 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.66 -43.28 99.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 1.1100000000000001 109.363 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 1.9099999999999999 109.287 179.881 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.29 -40.04 95.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 1.1699999999999999 108.906 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.42 -43.98 95.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 2.1499999999999999 108.831 179.296 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -54.78 -30.79 57.66 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.241 0.544 . . . . 1.4399999999999999 109.77 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -52.56 40.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 1.3 109.477 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.49 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 33.3 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 1.3999999999999999 109.622 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.566 -0.531 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -94.43 151.66 19.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.325 -0.86 . . . . 1.04 109.613 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.68 -170.43 2.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.393 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.98 148.04 27.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.547 -0.909 . . . . 1.1399999999999999 108.547 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.68 135.26 27.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.335 -0.853 . . . . 1.0900000000000001 109.928 -178.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -84.55 127.07 33.85 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.394 -0.965 . . . . 1.3700000000000001 108.394 179.097 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.62 111.32 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.426 -0.796 . . . . 1.1499999999999999 109.397 -179.543 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.402 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.9 ttt-85 -75.27 152.47 38.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.577 -0.702 . . . . 2.79 109.84 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.03 134.26 4.01 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.859 -1.297 . . . . 0.45000000000000001 109.859 179.723 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.04 -46.71 17.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.402 -1.058 . . . . 3.1600000000000001 109.374 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.03 -44.16 87.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 2.2200000000000002 109.093 179.817 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -62.32 -43.56 98.53 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.249 -0.907 . . . . 3.54 108.961 179.425 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.45 11.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.67 -0.644 . . . . 0.5 109.686 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -52.08 -40.24 60.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.358 -0.838 . . . . 1.6599999999999999 109.696 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.03 -51.66 65.87 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.29 -0.881 . . . . 1.1499999999999999 110.059 -179.625 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -47.34 86.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.14 -0.975 . . . . 0.34000000000000002 108.857 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.44 64.38 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.599 179.772 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.0 -43.43 95.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.247 -0.908 . . . . 1.74 109.984 -179.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.18 -40.51 94.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.069 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.44 -54.81 42.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.305 -0.872 . . . . 1.22 109.439 179.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.79 -36.71 84.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -0.9 . . . . 1.72 109.724 -179.891 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.08 51.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 1.0700000000000001 109.928 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.69 -42.87 99.51 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.478 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.66 -34.51 72.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.59 179.902 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.03 -51.54 63.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 1.1499999999999999 109.186 -179.896 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.4 -46.26 90.88 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.274 -0.891 . . . . 2.1400000000000001 109.217 179.836 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.23 -32.09 66.18 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.595 -0.691 . . . . 1.4299999999999999 109.589 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.6 80.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 1.3 109.804 -179.701 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.897 . . . . 1.4199999999999999 109.615 -179.843 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.268 0.556 . . . . 1.6100000000000001 109.532 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -94.31 151.69 19.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.228 -0.92 . . . . 0.96999999999999997 109.651 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -135.86 -170.46 2.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.329 -0.857 . . . . 0.59999999999999998 109.386 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -152.03 147.83 26.97 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.552 -0.907 . . . . 1.1000000000000001 108.552 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.8 tp -142.49 135.32 28.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.214 -0.929 . . . . 1.1000000000000001 109.984 -178.703 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.56 127.09 33.87 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.428 -0.953 . . . . 1.3600000000000001 108.428 179.089 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.61 111.23 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.529 -0.732 . . . . 1.1699999999999999 109.377 -179.454 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -75.22 152.48 38.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.555 -0.716 . . . . 2.79 109.794 -179.9 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.0 134.19 3.96 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.863 -1.295 . . . . 0.47999999999999998 109.863 179.704 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.99 -46.66 17.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -1.111 . . . . 3.2200000000000002 109.381 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.02 -44.23 87.19 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.234 -0.916 . . . . 2.21 109.102 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -62.24 -43.53 98.62 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.296 -0.878 . . . . 3.5499999999999998 109.005 179.413 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.05 -57.45 11.65 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.629 -0.669 . . . . 0.52000000000000002 109.654 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.13 61.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.6799999999999999 109.645 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.13 -51.66 65.62 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 1.1499999999999999 110.01 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.17 -47.48 85.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.33000000000000002 108.823 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.96 -44.45 63.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.343 -0.848 . . . . 3.02 109.657 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 1.75 109.979 -179.651 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.19 -40.56 94.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 109.009 -179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.36 -54.87 42.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 1.21 109.461 179.645 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -62.71 -36.77 84.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 1.6899999999999999 109.741 -179.918 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.03 51.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 1.0600000000000001 109.941 -179.592 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.0800000000000001 109.436 -179.788 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.71 -34.52 73.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.582 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.93 -51.65 63.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.125 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.37 -46.22 91.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 2.1899999999999999 109.232 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 40.5 m-20 -57.27 -32.08 66.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.568 -0.708 . . . . 1.4299999999999999 109.546 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 1.3100000000000001 109.782 -179.656 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.565 -0.532 . . . . 2.1099999999999999 109.565 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -94.32 151.79 19.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -0.907 . . . . 1.01 109.632 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -135.79 -170.49 2.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.346 -0.846 . . . . 0.57999999999999996 109.354 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.98 148.06 27.29 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.531 -0.915 . . . . 1.1599999999999999 108.531 179.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.9 tp -142.72 135.24 27.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.235 -0.916 . . . . 1.1699999999999999 109.961 -178.688 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 127.16 33.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.412 -0.958 . . . . 1.8100000000000001 108.412 179.127 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.67 111.28 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.491 -0.756 . . . . 1.1299999999999999 109.337 -179.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -75.34 152.46 38.12 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.625 -0.672 . . . . 2.8199999999999998 109.813 -179.903 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.06 134.25 4.01 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.81 -1.316 . . . . 0.45000000000000001 109.81 179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.0 -46.78 17.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -1.14 . . . . 3.0800000000000001 109.343 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.05 -44.04 87.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.28 -0.887 . . . . 2.54 109.134 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -62.39 -43.51 98.65 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.298 -0.876 . . . . 4.1100000000000003 108.944 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.07 -57.4 11.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.652 -0.655 . . . . 0.56999999999999995 109.684 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -52.15 -40.15 60.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 109.677 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.11 -51.66 65.67 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.366 -0.834 . . . . 1.29 110.052 -179.622 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.19 -47.39 86.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.40000000000000002 108.877 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.37 64.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.4 -0.812 . . . . 3.8500000000000001 109.637 179.781 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.93 -43.58 94.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 1.78 110.006 -179.733 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.09 -40.45 93.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 1.1699999999999999 109.122 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.48 -54.85 42.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.355 -0.841 . . . . 1.2 109.471 179.64 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.78 -36.73 84.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.348 -0.845 . . . . 2.1200000000000001 109.733 -179.902 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.02 51.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.981 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.68 -42.78 99.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 1.1399999999999999 109.527 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.75 -34.6 73.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.175 -0.953 . . . . 2.0899999999999999 109.525 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.89 -51.63 63.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -0.898 . . . . 1.3799999999999999 109.181 -179.872 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.33 -46.27 90.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -0.863 . . . . 2.6800000000000002 109.271 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 40.7 m-20 -57.17 -32.14 66.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.629 -0.669 . . . . 1.3400000000000001 109.577 179.873 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 1.3 109.841 -179.664 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.526 -0.546 . . . . 1.6699999999999999 109.526 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -94.34 151.62 19.27 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 1.01 109.621 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.73 -170.39 2.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.381 -0.825 . . . . 0.63 109.364 179.876 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -152.06 147.92 27.07 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.532 -0.914 . . . . 1.1299999999999999 108.532 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.52 135.43 28.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -0.839 . . . . 1.1000000000000001 109.957 -178.711 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.65 127.09 33.9 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.459 -0.941 . . . . 1.3700000000000001 108.459 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.61 111.26 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.357 -179.433 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.48 38.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.624 -0.672 . . . . 2.77 109.806 -179.905 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.96 134.25 3.96 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.887 -1.285 . . . . 0.42999999999999999 109.887 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.97 -46.76 17.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -1.135 . . . . 3.1200000000000001 109.407 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.01 -44.16 87.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 2.2200000000000002 109.047 179.809 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -62.27 -43.63 98.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.282 -0.886 . . . . 3.5 108.929 179.485 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.41 11.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.645 -0.659 . . . . 0.5 109.698 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.22 61.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.873 . . . . 1.6899999999999999 109.636 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.01 -51.68 65.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.25 -0.906 . . . . 1.1399999999999999 110.059 -179.614 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.18 -47.44 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.32000000000000001 108.896 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.97 -44.46 64.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 2.96 109.647 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.97 -43.51 95.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 1.75 110.076 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.06 -40.5 93.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.12 -0.988 . . . . 1.0800000000000001 109.099 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.43 -54.9 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.273 -0.892 . . . . 1.22 109.373 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -36.73 84.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.873 . . . . 1.73 109.745 -179.844 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.02 51.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.139 -0.976 . . . . 1.0700000000000001 109.933 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.68 -42.87 99.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 1.1100000000000001 109.462 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.68 -34.5 72.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 109.617 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.97 -51.63 63.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 1.1699999999999999 109.132 -179.88 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.44 -46.22 91.01 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.314 -0.866 . . . . 2.1499999999999999 109.206 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -57.2 -32.13 66.17 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.554 -0.716 . . . . 1.4399999999999999 109.541 179.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.54 80.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 1.3 109.802 -179.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 1.3999999999999999 109.65 -179.853 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.318 0.58 . . . . 1.7 109.711 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.68 155.94 16.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.279 -0.888 . . . . 1.04 109.79 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -135.86 -168.68 2.26 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.515 -0.741 . . . . 0.65000000000000002 109.099 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.35 152.46 33.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.918 . . . . 1.1399999999999999 108.86 -179.763 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 69.2 tp -143.04 135.74 27.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 1.0900000000000001 109.883 -178.749 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.06 127.35 34.18 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.711 -0.848 . . . . 1.3700000000000001 108.711 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.24 112.01 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.533 -0.729 . . . . 1.1499999999999999 109.073 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.14 45.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.63 -0.669 . . . . 2.79 110.533 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.65 131.61 5.31 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.361 -1.096 . . . . 0.45000000000000001 110.361 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.467 HH11 ' HG3' ' A' ' 335' ' ' ARG . 3.3 ttm-85 -80.01 -39.33 30.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 3.1600000000000001 108.878 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 -49.38 77.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.243 -0.91 . . . . 2.2200000000000002 109.205 179.688 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' NH1' ' HG3' ' A' ' 337' ' ' ARG . 10.8 ttm-85 -63.97 -36.37 83.75 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.255 -0.903 . . . . 3.54 109.741 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -51.99 -52.02 53.4 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.451 -0.78 . . . . 0.5 109.144 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 72.1 mm-40 -53.94 -38.56 65.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 1.6599999999999999 109.297 179.383 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.45 -55.97 22.58 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.387 -0.82 . . . . 1.1499999999999999 110.233 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.64 -48.23 82.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.34000000000000002 109.28 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 8.6 ttm180 -52.26 -39.34 60.25 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.19 -0.944 . . . . 2.9399999999999999 109.845 -179.804 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.22 -43.25 99.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.185 -0.947 . . . . 1.74 110.293 -179.433 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.34 -41.89 94.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.503 -179.552 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.74 -52.76 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.22 109.85 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 1.3 mp0 -62.46 -38.96 91.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.308 -0.87 . . . . 1.72 109.76 -179.496 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.21 66.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 1.0700000000000001 109.687 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.41 -44.51 96.27 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.422 -0.799 . . . . 1.0800000000000001 109.38 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.95 -34.49 71.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 1.9099999999999999 109.417 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.35 -49.72 70.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 1.1499999999999999 109.187 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.36 -48.55 75.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.413 -0.804 . . . . 2.1400000000000001 108.932 179.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.61 -29.49 64.57 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.658 -0.651 . . . . 1.4299999999999999 109.652 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.62 78.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 1.3 109.394 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.4199999999999999 109.482 179.959 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.288 0.566 . . . . 1.6100000000000001 109.735 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -95.59 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.848 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -135.78 -168.79 2.28 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.445 -0.784 . . . . 0.59999999999999998 109.113 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.4 p -151.29 152.39 33.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.214 -0.929 . . . . 1.1000000000000001 108.916 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.91 135.79 27.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.884 -178.743 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.16 127.39 34.24 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.643 -0.873 . . . . 1.3600000000000001 108.643 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.27 112.07 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.477 -0.764 . . . . 1.1699999999999999 109.061 -179.561 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.87 145.04 45.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.566 -0.709 . . . . 2.79 110.524 -179.288 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 131.51 5.32 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.428 -1.069 . . . . 0.47999999999999998 110.428 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.458 HH11 ' HG3' ' B' ' 335' ' ' ARG . 3.3 ttm-85 -80.03 -39.15 30.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.536 -0.979 . . . . 3.2200000000000002 108.966 179.312 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.69 -49.37 77.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.252 -0.905 . . . . 2.21 109.168 179.664 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.451 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 10.7 ttm-85 -63.99 -36.39 83.83 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.237 -0.915 . . . . 3.5499999999999998 109.654 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -52.08 -51.89 54.81 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.351 -0.843 . . . . 0.52000000000000002 109.162 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 72.3 mm-40 -53.98 -38.58 65.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.248 179.371 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -62.39 -55.99 22.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.439 -0.788 . . . . 1.1499999999999999 110.211 -179.543 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.7 -48.33 82.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.33000000000000002 109.213 179.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 8.6 ttm180 -52.17 -39.38 59.98 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.266 -0.896 . . . . 3.02 109.848 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.26 -43.21 99.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.229 -0.919 . . . . 1.75 110.315 -179.439 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.3 -41.93 94.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.118 -0.989 . . . . 1.0700000000000001 109.523 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.75 -52.77 64.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.21 109.864 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.91 91.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 109.815 -179.535 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.31 65.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.116 -0.99 . . . . 1.0600000000000001 109.671 -179.631 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.31 -44.5 96.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.342 -0.849 . . . . 1.0800000000000001 109.463 -179.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.91 -34.51 71.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.403 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.39 -49.73 70.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 1.1399999999999999 109.058 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.39 -48.55 75.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.896 -0.779 . . . . 2.1899999999999999 108.896 179.66 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.58 -29.52 64.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.68 -0.638 . . . . 1.4299999999999999 109.661 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.198 -0.939 . . . . 1.3100000000000001 109.435 -179.884 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.276 0.56 . . . . 2.1099999999999999 109.808 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.69 155.92 16.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 1.01 109.835 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.83 -168.88 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.459 -0.775 . . . . 0.57999999999999996 109.123 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -151.25 152.43 33.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.204 -0.935 . . . . 1.1599999999999999 108.928 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.97 135.78 27.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 109.886 -178.697 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.19 127.31 34.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.694 -0.854 . . . . 1.8100000000000001 108.694 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.2 112.11 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.534 -0.729 . . . . 1.1299999999999999 109.039 -179.562 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.94 145.13 44.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.72 . . . . 2.8199999999999998 110.474 -179.305 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 131.52 5.28 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.454 -1.059 . . . . 0.45000000000000001 110.454 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.474 HH11 ' HG3' ' C' ' 335' ' ' ARG . 3.3 ttm-85 -79.98 -39.32 30.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.539 -0.977 . . . . 3.0800000000000001 108.91 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.5 -49.42 77.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 2.54 109.243 179.667 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.457 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 10.8 ttm-85 -63.95 -36.44 83.97 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.21 -0.931 . . . . 4.1100000000000003 109.755 -179.862 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.02 -51.96 53.94 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.56999999999999995 109.104 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 72.3 mm-40 -53.94 -38.61 65.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 1.6599999999999999 109.249 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.38 -56.08 21.73 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.24 -0.912 . . . . 1.29 110.221 -179.574 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.54 -48.33 82.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.40000000000000002 109.33 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 8.6 ttm180 -52.19 -39.39 60.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.221 -0.925 . . . . 3.8500000000000001 109.841 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.33 -43.14 99.38 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.148 -0.97 . . . . 1.78 110.277 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.33 -41.92 94.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.105 -0.997 . . . . 1.1699999999999999 109.527 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.76 -52.77 64.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.131 -0.98 . . . . 1.2 109.888 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.94 91.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.915 . . . . 2.1200000000000001 109.814 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.31 65.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 109.674 -179.638 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.21 -44.65 96.11 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.389 -0.82 . . . . 1.1399999999999999 109.459 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.82 -34.52 71.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.368 -0.833 . . . . 2.0899999999999999 109.481 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.34 -49.81 70.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 1.3799999999999999 109.086 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.31 -48.58 75.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.443 -0.785 . . . . 2.6800000000000002 108.936 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.62 -29.45 64.55 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.65 -0.656 . . . . 1.3400000000000001 109.681 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.3 109.457 -179.96 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.299 0.571 . . . . 1.6699999999999999 109.741 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -95.61 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 1.01 109.811 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.85 -168.82 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.39 -0.819 . . . . 0.63 109.162 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.3 152.27 32.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.18 -0.95 . . . . 1.1299999999999999 108.956 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 69.5 tp -142.91 135.76 27.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.288 -0.883 . . . . 1.1000000000000001 109.912 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.05 127.33 34.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.723 -0.843 . . . . 1.3700000000000001 108.723 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.19 112.01 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.555 -0.715 . . . . 1.1499999999999999 109.077 -179.566 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.16 45.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.555 -0.715 . . . . 2.77 110.511 -179.31 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.62 131.61 5.3 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.459 -1.056 . . . . 0.42999999999999999 110.459 179.327 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.466 HH11 ' HG3' ' D' ' 335' ' ' ARG . 3.3 ttm-85 -80.0 -39.29 30.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.49 -1.006 . . . . 3.1200000000000001 108.944 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.59 -49.41 77.65 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.155 -0.966 . . . . 2.2200000000000002 109.147 179.737 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 10.6 ttm-85 -63.95 -36.45 84.01 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.245 -0.909 . . . . 3.5 109.717 -179.842 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -51.99 -51.96 53.77 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.312 -0.867 . . . . 0.5 109.165 -179.813 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 72.4 mm-40 -53.98 -38.64 65.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.6899999999999999 109.217 179.402 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.34 -56.06 22.03 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.369 -0.832 . . . . 1.1399999999999999 110.242 -179.55 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.59 -48.35 82.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.145 -0.972 . . . . 0.32000000000000001 109.279 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 8.6 ttm180 -52.11 -39.43 59.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.275 -0.89 . . . . 2.96 109.848 -179.821 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.28 -43.13 99.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 1.75 110.342 -179.405 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.39 -41.85 94.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 1.0800000000000001 109.541 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.73 -52.83 64.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.912 . . . . 1.22 109.876 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 1.3 mp0 -62.36 -38.9 91.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.181 -0.949 . . . . 1.73 109.811 -179.532 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0700000000000001 109.683 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 1.1100000000000001 109.439 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.89 -34.56 71.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.42 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.31 -49.83 70.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.109 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.31 -48.46 75.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.42 -0.8 . . . . 2.1499999999999999 108.966 179.627 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.8 -29.48 64.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.641 -0.662 . . . . 1.4399999999999999 109.586 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.57 78.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.17 -0.957 . . . . 1.3 109.465 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.3999999999999999 109.491 179.978 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.346 -0.613 . . . . 1.7 109.346 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 21.1 m-85 -94.31 149.33 21.34 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.237 -0.915 . . . . 1.04 109.739 -179.745 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.19 138.45 35.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.65000000000000002 108.83 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.7 p -94.15 165.22 12.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 1.1399999999999999 109.283 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.28 13.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.168 -0.957 . . . . 1.0900000000000001 109.935 -179.133 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -84.03 126.99 33.58 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.483 -0.932 . . . . 1.3700000000000001 108.483 179.362 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.46 117.51 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.536 -0.727 . . . . 1.1499999999999999 109.969 -179.102 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.16 155.64 32.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.603 -0.686 . . . . 2.79 109.684 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.82 2.11 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.457 -1.057 . . . . 0.45000000000000001 110.457 179.003 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.22 -42.13 14.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.428 -1.043 . . . . 3.1600000000000001 109.26 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.82 -46.71 88.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.799 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 337' ' ' ARG . 18.8 ttm-85 -63.95 -39.94 95.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.191 -0.943 . . . . 3.54 109.7 -179.694 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.17 -54.43 30.84 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 0.5 109.286 179.858 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.57 -37.84 63.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.325 -0.859 . . . . 1.6599999999999999 109.741 -179.639 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.03 -49.75 71.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 1.1499999999999999 110.456 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.06 -43.16 95.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.34000000000000002 109.127 -179.607 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.64 -44.6 57.44 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 2.9399999999999999 109.468 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 tp10 -61.54 -47.32 86.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 1.74 109.703 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.9 -45.02 96.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 109.352 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.67 -50.19 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.905 . . . . 1.22 109.464 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.07 -35.82 81.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 1.72 109.802 -179.776 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.76 -58.36 8.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -0.814 . . . . 1.0700000000000001 110.268 -179.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.24 -38.82 84.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 1.0800000000000001 109.504 -179.539 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.64 -33.61 73.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 108.875 179.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.67 -52.45 57.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 1.1499999999999999 109.077 179.77 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 343' ' ' GLU . 31.1 ttmt -62.03 -47.03 86.58 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.401 -0.812 . . . . 2.1400000000000001 109.008 179.795 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.82 -30.75 65.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.327 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -30.87 70.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.386 -0.821 . . . . 1.3 109.526 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.245 -0.909 . . . . 1.4199999999999999 109.247 179.856 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.405 -0.591 . . . . 1.6100000000000001 109.405 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.436 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 20.6 m-85 -94.25 149.22 21.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.234 -0.916 . . . . 0.96999999999999997 109.879 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.47 35.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -0.844 . . . . 0.59999999999999998 108.859 179.251 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.9 p -94.17 165.39 12.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -0.875 . . . . 1.1000000000000001 109.207 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.19 13.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 1.1000000000000001 109.962 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.85 126.99 33.51 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.559 -0.904 . . . . 1.3600000000000001 108.559 179.294 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 117.62 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.537 -0.727 . . . . 1.1699999999999999 109.923 -179.166 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.21 155.7 32.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.511 -0.743 . . . . 2.79 109.62 179.319 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.89 2.13 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.468 -1.053 . . . . 0.47999999999999998 110.468 178.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -85.33 -42.12 14.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.39 -1.065 . . . . 3.2200000000000002 109.293 179.444 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.77 -46.79 88.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.414 -0.804 . . . . 2.21 109.809 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.0 ttm-85 -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.213 -0.929 . . . . 3.5499999999999998 109.715 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.15 -54.46 30.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.306 -0.871 . . . . 0.52000000000000002 109.308 179.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.44 -37.99 63.11 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 109.826 -179.732 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' C' ' 340' ' ' MET . 25.2 ttp -63.97 -49.79 71.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.304 -0.873 . . . . 1.1499999999999999 110.49 -179.147 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.07 -43.05 95.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.11 -0.994 . . . . 0.33000000000000002 109.186 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.73 -44.52 58.35 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.186 -0.946 . . . . 3.02 109.465 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 tp10 -61.59 -47.29 86.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 1.75 109.685 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.98 -45.03 96.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.177 -0.952 . . . . 1.0700000000000001 109.316 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.66 -50.12 75.09 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.291 -0.881 . . . . 1.21 109.489 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.18 -35.49 80.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.859 -179.797 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.26 9.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 1.0600000000000001 110.232 -179.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.31 -38.78 84.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 1.0800000000000001 109.505 -179.546 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.64 73.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.012 . . . . 1.9299999999999999 108.931 179.196 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.7 -52.46 57.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.472 -0.767 . . . . 1.1399999999999999 109.057 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' A' ' 343' ' ' GLU . 30.9 ttmt -62.02 -47.02 86.63 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.423 -0.798 . . . . 2.1899999999999999 109.016 179.764 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -30.62 65.99 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.572 -0.705 . . . . 1.4299999999999999 109.39 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.319 -0.863 . . . . 1.3100000000000001 109.523 -179.972 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.364 -0.606 . . . . 2.1099999999999999 109.364 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 20.8 m-85 -94.24 149.31 21.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 1.01 109.83 -179.798 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -140.16 138.44 35.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 0.57999999999999996 108.877 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -94.17 165.3 12.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.428 -0.795 . . . . 1.1599999999999999 109.244 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.16 13.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.978 . . . . 1.1699999999999999 109.998 -179.136 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.84 126.91 33.43 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.348 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -124.44 117.52 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.523 -0.735 . . . . 1.1299999999999999 110.011 -179.117 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.13 155.69 32.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.582 -0.699 . . . . 2.8199999999999998 109.659 179.361 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.43 136.91 2.12 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.415 -1.074 . . . . 0.45000000000000001 110.415 178.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -85.31 -42.18 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.456 -1.026 . . . . 3.0800000000000001 109.245 179.418 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.78 -46.79 88.08 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.336 -0.853 . . . . 2.54 109.764 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' C' ' 337' ' ' ARG . 18.9 ttm-85 -63.91 -39.99 95.46 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.226 -0.921 . . . . 4.1100000000000003 109.668 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.13 -54.53 29.5 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.329 -0.857 . . . . 0.56999999999999995 109.299 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.42 -37.84 62.93 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.869 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' B' ' 340' ' ' MET . 25.3 ttp -64.03 -49.8 70.98 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.337 -0.852 . . . . 1.29 110.455 -179.142 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.05 -43.1 95.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.101 -1.0 . . . . 0.40000000000000002 109.215 -179.627 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.67 -44.5 57.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.198 -0.938 . . . . 3.8500000000000001 109.533 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 tp10 -61.52 -47.37 85.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 1.78 109.703 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.91 -45.06 96.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.227 -0.92 . . . . 1.1699999999999999 109.356 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.64 -50.22 74.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.313 -0.867 . . . . 1.2 109.463 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -35.46 80.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 2.1200000000000001 109.838 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.97 -58.36 8.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 110.253 -179.582 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.26 -38.78 84.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.232 -0.918 . . . . 1.1399999999999999 109.515 -179.518 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.63 -33.67 73.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 2.0899999999999999 108.874 179.248 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.68 -52.33 57.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.622 0.725 . . . . 1.3799999999999999 109.087 179.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' D' ' 343' ' ' GLU . 31.0 ttmt -62.19 -46.96 86.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 2.6800000000000002 109.024 179.734 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.89 -30.63 66.01 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 1.3400000000000001 109.348 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 1.3 109.569 -179.973 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.303 -0.629 . . . . 1.6699999999999999 109.303 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 21.2 m-85 -94.33 149.29 21.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.276 -0.89 . . . . 1.01 109.783 -179.811 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.55 35.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.375 -0.828 . . . . 0.63 108.805 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -94.33 165.2 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.38 -0.825 . . . . 1.1299999999999999 109.209 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.23 13.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 1.1000000000000001 109.992 -179.099 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.89 126.96 33.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 1.3700000000000001 108.542 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.5 117.45 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.472 -0.768 . . . . 1.1499999999999999 110.044 -179.139 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.06 155.64 32.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.598 -0.689 . . . . 2.77 109.675 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.37 136.93 2.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.442 -1.063 . . . . 0.42999999999999999 110.442 179.025 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.27 -42.22 14.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.385 -1.068 . . . . 3.1200000000000001 109.199 179.478 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.73 -46.75 88.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.816 -179.753 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.45 ' HG3' HH11 ' D' ' 337' ' ' ARG . 18.5 ttm-85 -63.96 -39.92 95.23 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.138 -0.977 . . . . 3.5 109.741 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.16 -54.41 31.05 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.299 -0.876 . . . . 0.5 109.338 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -53.51 -37.89 63.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.307 -0.87 . . . . 1.6899999999999999 109.783 -179.674 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.95 -49.84 70.99 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.319 -0.863 . . . . 1.1399999999999999 110.46 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.05 -43.15 95.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.026 -1.046 . . . . 0.32000000000000001 109.13 -179.56 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -50.62 -44.61 57.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.127 -0.983 . . . . 2.96 109.473 179.955 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 tp10 -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.182 -0.949 . . . . 1.75 109.725 -179.935 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.96 -45.0 96.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.33 -0.856 . . . . 1.0800000000000001 109.292 -179.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.64 -50.18 74.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 1.22 109.421 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.333 -0.854 . . . . 1.73 109.836 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.84 -58.33 8.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 1.0700000000000001 110.25 -179.528 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.3 -38.83 84.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.11 -0.994 . . . . 1.1100000000000001 109.485 -179.49 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.65 73.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.052 -1.03 . . . . 1.9099999999999999 108.886 179.238 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.76 -52.34 57.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.539 -0.726 . . . . 1.1699999999999999 109.054 179.794 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' C' ' 343' ' ' GLU . 31.1 ttmt -62.12 -47.01 86.51 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.384 -0.823 . . . . 2.1499999999999999 109.013 179.775 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.87 -30.62 65.98 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.583 -0.698 . . . . 1.4399999999999999 109.358 179.756 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.97 71.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 1.3 109.52 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 1.3999999999999999 109.323 179.828 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.234 0.54 . . . . 1.7 109.68 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -94.09 149.72 20.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.278 -0.889 . . . . 1.04 108.988 179.61 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.43 -169.54 2.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.193 -0.942 . . . . 0.65000000000000002 109.546 -179.633 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.21 150.9 31.14 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.271 -1.011 . . . . 1.1399999999999999 108.271 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -144.07 133.5 23.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.29 -0.881 . . . . 1.0900000000000001 109.859 -178.368 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.53 128.01 34.36 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.553 -0.906 . . . . 1.3700000000000001 108.553 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.7 mt -123.23 112.92 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.33 -0.856 . . . . 1.1499999999999999 109.082 -179.479 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.4 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 33.2 ttt-85 -74.45 153.61 39.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.537 -0.727 . . . . 2.79 109.635 -179.788 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.71 130.04 1.17 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.949 -1.26 . . . . 0.45000000000000001 109.949 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.32 -43.6 32.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.398 -1.06 . . . . 3.1600000000000001 109.286 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.87 -44.93 82.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 108.936 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -64.01 -42.22 97.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.377 -0.827 . . . . 3.54 109.234 179.684 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.46 -55.78 25.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.611 -0.68 . . . . 0.5 109.639 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.89 -40.42 60.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.722 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.18 -51.12 67.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.339 -0.851 . . . . 1.1499999999999999 110.08 -179.434 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.2 -48.39 81.72 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.189 -0.944 . . . . 0.34000000000000002 109.086 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.13 -41.59 60.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 2.9399999999999999 109.547 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.07 -47.79 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.197 -0.939 . . . . 1.74 109.622 -179.639 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.9 -34.86 75.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 108.636 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.1 -57.85 11.25 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.441 -0.787 . . . . 1.22 109.477 179.559 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.47 -34.78 78.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 1.72 110.118 -179.736 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.38 22.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 110.145 -179.21 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.93 -42.85 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.093 -1.004 . . . . 1.0800000000000001 109.513 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.99 -35.1 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 109.174 179.639 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.62 -48.63 74.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.1499999999999999 109.562 -179.882 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.04 -40.4 97.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.371 -0.831 . . . . 2.1400000000000001 108.864 179.553 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -56.28 -34.18 66.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.452 179.645 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.51 77.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.826 . . . . 1.3 109.863 -179.908 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 1.4199999999999999 109.532 -179.782 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.231 0.539 . . . . 1.6100000000000001 109.716 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -93.97 149.84 20.88 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.265 -0.897 . . . . 0.96999999999999997 109.088 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.66 -169.58 2.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.323 -0.861 . . . . 0.59999999999999998 109.548 -179.605 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -151.31 150.6 30.72 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.25 -1.019 . . . . 1.1000000000000001 108.25 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.8 tp -143.81 133.5 23.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.233 -0.917 . . . . 1.1000000000000001 109.883 -178.404 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -84.38 127.99 34.32 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.091 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.29 112.88 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.36 -0.838 . . . . 1.1699999999999999 109.066 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.9 ttt-85 -74.36 153.57 39.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.461 -0.774 . . . . 2.79 109.713 -179.847 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.64 130.08 1.15 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.935 -1.266 . . . . 0.47999999999999998 109.935 179.797 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.35 -43.59 32.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.42 -1.047 . . . . 3.2200000000000002 109.279 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.93 -44.82 82.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.264 -0.897 . . . . 2.21 108.934 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 3.5499999999999998 109.238 179.67 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.42 -55.83 24.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.58 -0.7 . . . . 0.52000000000000002 109.631 -179.962 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.88 -40.44 60.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.75 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.2 -51.02 68.0 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.329 -0.857 . . . . 1.1499999999999999 110.155 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -48.41 81.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.191 -0.943 . . . . 0.33000000000000002 109.038 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -51.08 -41.73 60.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 3.02 109.568 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.94 -47.91 83.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.129 -0.982 . . . . 1.75 109.658 -179.688 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.83 -34.88 75.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 108.664 179.673 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.16 -57.73 11.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.39 -0.819 . . . . 1.21 109.439 179.599 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.66 -34.6 78.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 110.103 -179.673 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.18 -56.42 22.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 1.0600000000000001 110.122 -179.272 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.87 -42.68 98.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 1.0800000000000001 109.61 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.14 -35.07 74.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.159 179.666 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.5 -48.72 74.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.378 -0.826 . . . . 1.1399999999999999 109.435 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.12 -40.36 97.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 2.1899999999999999 108.901 179.647 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -56.32 -34.14 66.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.385 179.637 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.3 -0.875 . . . . 1.3100000000000001 109.891 -179.86 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.225 0.536 . . . . 2.1099999999999999 109.653 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -94.05 149.65 21.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.256 -0.902 . . . . 1.01 109.087 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.37 -169.46 2.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -0.878 . . . . 0.57999999999999996 109.524 -179.625 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.38 150.49 30.53 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.374 -0.973 . . . . 1.1599999999999999 108.374 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.7 tp -143.77 133.5 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 109.919 -178.361 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -84.42 127.99 34.33 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.539 -0.912 . . . . 1.8100000000000001 108.539 179.179 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.28 113.1 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.38 -0.825 . . . . 1.1299999999999999 109.022 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 34.1 ttt-85 -74.64 153.71 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.532 -0.73 . . . . 2.8199999999999998 109.578 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.68 130.03 1.16 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.929 -1.268 . . . . 0.45000000000000001 109.929 179.747 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.28 -43.6 32.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 3.0800000000000001 109.341 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.93 -44.67 82.69 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.241 -0.912 . . . . 2.54 108.98 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.284 -0.885 . . . . 4.1100000000000003 109.157 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.44 -55.83 24.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.567 -0.708 . . . . 0.56999999999999995 109.564 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.91 -40.47 60.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -0.849 . . . . 1.6599999999999999 109.718 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.191 -0.943 . . . . 1.29 110.122 -179.497 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.24 -48.35 81.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.143 -0.973 . . . . 0.40000000000000002 109.039 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.13 -41.73 60.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 3.8500000000000001 109.555 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.97 -47.86 83.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 1.78 109.666 -179.654 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.83 -34.92 75.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 108.636 179.619 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.18 -57.74 11.69 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.476 -0.765 . . . . 1.2 109.484 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.65 -34.58 78.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.826 . . . . 2.1200000000000001 110.137 -179.754 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.45 21.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 1.0700000000000001 110.178 -179.298 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.84 -42.88 98.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.095 -1.003 . . . . 1.1399999999999999 109.481 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.98 -35.09 74.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.162 179.682 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -48.66 74.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.898 . . . . 1.3799999999999999 109.415 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.0 -40.53 98.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 2.6800000000000002 108.894 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.23 -34.15 66.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.574 -0.703 . . . . 1.3400000000000001 109.446 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 1.3 109.781 -179.864 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.32 0.581 . . . . 1.6699999999999999 109.646 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -94.01 149.92 20.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 1.01 109.034 179.535 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.74 -169.6 2.58 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.332 -0.855 . . . . 0.63 109.54 -179.627 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.28 150.57 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.341 -0.985 . . . . 1.1299999999999999 108.341 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -143.82 133.53 23.74 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 1.1000000000000001 109.909 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.39 127.89 34.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.612 -0.885 . . . . 1.3700000000000001 108.612 179.139 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.2 mt -123.23 112.91 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -0.795 . . . . 1.1499999999999999 109.11 -179.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.409 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 33.1 ttt-85 -74.33 153.7 39.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.521 -0.737 . . . . 2.77 109.758 -179.843 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 130.12 1.13 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.989 -1.245 . . . . 0.42999999999999999 109.989 179.831 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.39 -43.45 32.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.356 -1.085 . . . . 3.1200000000000001 109.333 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.9 -45.06 82.85 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.173 -0.954 . . . . 2.2200000000000002 108.914 179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.87 -42.26 97.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.419 -0.8 . . . . 3.5 109.278 179.654 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -54.43 -55.83 24.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.608 -0.683 . . . . 0.5 109.561 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.94 -40.43 60.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.368 -0.833 . . . . 1.6899999999999999 109.752 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.13 -51.06 67.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 110.177 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.971 . . . . 0.32000000000000001 109.005 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.16 -41.64 60.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -0.848 . . . . 2.96 109.498 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.02 -47.86 83.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 1.75 109.64 -179.667 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.78 -34.94 75.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 108.68 179.624 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.12 -57.69 11.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.5 -0.75 . . . . 1.22 109.509 179.547 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.58 -35.01 79.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.73 110.101 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -56.82 -56.44 21.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.925 . . . . 1.0700000000000001 110.226 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.91 -42.82 98.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 1.1100000000000001 109.54 -179.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.99 -35.14 74.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.93 . . . . 1.9099999999999999 109.17 179.629 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.59 -48.65 74.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.865 . . . . 1.1699999999999999 109.599 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.09 -40.33 97.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 2.1499999999999999 108.867 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.23 -34.28 66.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.512 -0.742 . . . . 1.4399999999999999 109.4 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.54 77.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 1.3 109.824 -179.876 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 1.3999999999999999 109.619 -179.827 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.305 0.574 . . . . 1.7 109.653 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 36.2 m-85 -96.37 152.81 18.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.319 -0.863 . . . . 1.04 109.599 179.84 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.53 133.45 30.85 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.484 -0.932 . . . . 0.65000000000000002 108.484 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -92.82 165.17 13.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.403 -0.81 . . . . 1.1399999999999999 109.317 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.67 130.88 15.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.243 -0.911 . . . . 1.0900000000000001 109.659 -179.714 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.527 HE22 ' C ' ' A' ' 332' ' ' ILE . 3.4 tm0? -86.31 129.72 34.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.453 -0.779 . . . . 1.3700000000000001 109.432 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.527 ' C ' HE22 ' A' ' 331' ' ' GLN . 58.1 mt -124.21 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.572 -0.705 . . . . 1.1499999999999999 109.313 -179.854 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.521 ' N ' HE22 ' A' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.42 28.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 2.79 109.521 179.886 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.7 136.55 5.98 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 110.099 -1.2 . . . . 0.45000000000000001 110.099 179.174 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.4 -50.26 12.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.39 -1.065 . . . . 3.1600000000000001 108.99 179.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.39 -39.61 76.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.2200000000000002 108.808 179.509 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.58 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.18 84.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.308 -0.87 . . . . 3.54 109.375 179.739 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.78 -58.01 9.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.672 -0.642 . . . . 0.5 109.888 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.28 -39.69 46.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.354 -0.841 . . . . 1.6599999999999999 110.12 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.18 -54.61 30.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.064 -1.023 . . . . 1.1499999999999999 110.427 -179.205 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.12 -46.33 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.013 -1.055 . . . . 0.34000000000000002 108.962 -179.684 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.47 -42.19 54.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.236 -0.915 . . . . 2.9399999999999999 109.327 179.787 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -60.08 -54.12 49.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 1.74 109.943 -179.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.04 -39.39 85.75 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.148 -0.97 . . . . 1.0700000000000001 108.691 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.412 ' O ' ' CD ' ' A' ' 349' ' ' GLU . 21.0 t-20 -58.35 -57.08 14.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.36 -0.838 . . . . 1.22 109.37 179.572 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.04 -33.88 71.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 1.72 109.826 -179.7 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.04 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.727 -179.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -50.14 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.371 -0.83 . . . . 1.0800000000000001 109.857 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 345' ' ' ASN . 3.3 mp0 -58.03 -33.19 68.72 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.124 -0.985 . . . . 1.9099999999999999 109.434 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.91 -52.92 53.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 1.1499999999999999 109.075 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.8 -45.4 94.02 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.37 -0.831 . . . . 2.1400000000000001 108.948 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.38 179.645 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -27.94 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 1.3 109.281 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 1.4199999999999999 109.415 179.857 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.256 0.55 . . . . 1.6100000000000001 109.624 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 36.6 m-85 -96.43 152.8 18.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.34 -0.85 . . . . 0.96999999999999997 109.586 179.754 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.49 133.41 30.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.277 -0.889 . . . . 0.59999999999999998 108.608 178.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -92.78 165.16 13.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 1.1000000000000001 109.315 -179.85 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.69 130.82 15.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.668 -179.721 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.532 HE22 ' N ' ' B' ' 333' ' ' ARG . 3.4 tm0? -86.2 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.506 179.896 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.524 ' C ' HE22 ' B' ' 331' ' ' GLN . 57.8 mt -124.24 107.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.601 -0.687 . . . . 1.1699999999999999 109.379 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.532 ' N ' HE22 ' B' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.36 28.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 2.79 109.522 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.74 136.4 5.94 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 110.068 -1.213 . . . . 0.47999999999999998 110.068 179.181 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.35 -50.22 12.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -1.051 . . . . 3.2200000000000002 108.992 179.631 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.45 -39.57 76.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.128 -0.983 . . . . 2.21 108.811 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.569 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.4 -41.27 84.52 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.298 -0.876 . . . . 3.5499999999999998 109.383 179.671 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.78 -58.04 9.83 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.619 -0.675 . . . . 0.52000000000000002 109.829 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.26 -39.77 45.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 1.6799999999999999 110.06 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.2 -54.55 31.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.086 -1.008 . . . . 1.1499999999999999 110.413 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.04 -46.36 91.02 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.117 -0.989 . . . . 0.33000000000000002 108.976 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.46 -42.22 54.04 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.277 -0.889 . . . . 3.02 109.341 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.0 -54.26 48.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 1.75 109.905 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.96 -39.43 85.58 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.205 -0.934 . . . . 1.0700000000000001 108.707 179.884 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.41 ' O ' ' CD ' ' B' ' 349' ' ' GLU . 20.9 t-20 -58.39 -56.97 15.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.322 -0.861 . . . . 1.21 109.373 179.57 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.18 -33.79 71.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 109.716 -179.703 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.0 83.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.201 -0.937 . . . . 1.0600000000000001 109.702 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.35 -49.92 73.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 1.0800000000000001 109.896 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 345' ' ' ASN . 3.3 mp0 -58.15 -33.24 68.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.133 -0.979 . . . . 1.9299999999999999 109.381 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.84 -53.07 52.48 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.183 -0.948 . . . . 1.1399999999999999 109.023 179.8 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.66 -45.4 94.19 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.351 -0.843 . . . . 2.1899999999999999 109.007 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.87 -35.75 66.85 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.325 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 1.3100000000000001 109.328 179.964 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.388 0.613 . . . . 2.1099999999999999 109.688 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 36.2 m-85 -96.47 152.71 18.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.268 -0.895 . . . . 1.01 109.63 179.841 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.39 133.32 30.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.925 . . . . 0.57999999999999996 108.592 179.021 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.3 p -92.65 165.01 13.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.408 -0.808 . . . . 1.1599999999999999 109.385 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.6 130.95 15.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.363 -0.836 . . . . 1.1699999999999999 109.65 -179.766 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.528 HE22 ' N ' ' C' ' 333' ' ' ARG . 3.4 tm0? -86.33 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.745 . . . . 1.8100000000000001 109.446 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.512 ' C ' HE22 ' C' ' 331' ' ' GLN . 57.8 mt -124.31 107.52 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 121.572 -0.705 . . . . 1.1299999999999999 109.31 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.528 ' N ' HE22 ' C' ' 331' ' ' GLN . 0.3 OUTLIER -74.97 125.47 28.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.811 . . . . 2.8199999999999998 109.461 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.45 5.99 Favored Glycine 0 N--CA 1.501 3.019 0 N-CA-C 110.104 -1.198 . . . . 0.45000000000000001 110.104 179.167 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.18 12.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.497 -1.002 . . . . 3.0800000000000001 109.037 179.675 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' C' ' 336' ' ' GLU . 1.5 mp0 -57.47 -39.64 76.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 2.54 108.749 179.516 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.581 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.37 -41.31 84.46 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.211 -0.931 . . . . 4.1100000000000003 109.374 179.733 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -56.65 -58.05 9.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.645 -0.659 . . . . 0.56999999999999995 109.902 -179.801 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.32 -39.73 46.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.989 -179.474 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.16 -54.61 31.07 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.134 -0.979 . . . . 1.29 110.387 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.13 -46.38 90.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.03 -1.044 . . . . 0.40000000000000002 108.907 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.32 -42.26 52.42 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.283 -0.886 . . . . 3.8500000000000001 109.347 179.73 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -60.02 -54.24 48.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 1.78 109.838 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 108.752 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.402 ' O ' ' CD ' ' C' ' 349' ' ' GLU . 21.0 t-20 -58.4 -57.0 14.83 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 1.2 109.386 179.474 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.13 -33.79 71.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.1200000000000001 109.77 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.83 84.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.671 -179.724 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.42 -49.9 73.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 1.1399999999999999 109.92 -179.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' C' ' 345' ' ' ASN . 3.3 mp0 -58.16 -33.23 68.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.098 -1.001 . . . . 2.0899999999999999 109.408 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.91 -53.01 53.27 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.12 -0.988 . . . . 1.3799999999999999 109.026 179.853 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.77 -45.3 94.47 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.425 -0.797 . . . . 2.6800000000000002 108.995 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.85 -35.8 66.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.578 -0.702 . . . . 1.3400000000000001 109.337 179.636 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 1.3 109.3 179.988 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.331 0.586 . . . . 1.6699999999999999 109.696 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 36.8 m-85 -96.49 152.7 18.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 1.01 109.613 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.43 133.37 30.9 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.57 -0.9 . . . . 0.63 108.57 178.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.5 p -92.72 165.1 13.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.433 -0.792 . . . . 1.1299999999999999 109.294 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.59 130.9 15.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 1.1000000000000001 109.62 -179.681 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.529 HE22 ' N ' ' D' ' 333' ' ' ARG . 3.4 tm0? -86.39 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.3700000000000001 109.43 179.883 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.514 ' C ' HE22 ' D' ' 331' ' ' GLN . 57.7 mt -124.24 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.542 -0.724 . . . . 1.1499999999999999 109.333 -179.863 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.529 ' N ' HE22 ' D' ' 331' ' ' GLN . 0.3 OUTLIER -74.86 125.39 28.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 2.77 109.531 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.55 136.5 6.0 Favored Glycine 0 N--CA 1.501 3.023 0 N-CA-C 110.121 -1.191 . . . . 0.42999999999999999 110.121 179.166 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.3 12.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -1.05 . . . . 3.1200000000000001 108.969 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.39 -39.61 76.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.798 179.556 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.579 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.15 84.5 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.189 -0.944 . . . . 3.5 109.412 179.69 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -56.83 -58.03 9.88 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.695 -0.628 . . . . 0.5 109.818 -179.785 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.3 -39.68 46.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 110.037 -179.493 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.5 ttp -64.24 -54.49 32.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.047 -1.033 . . . . 1.1399999999999999 110.443 -179.196 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.25 -46.17 91.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.097 -1.002 . . . . 0.32000000000000001 108.955 -179.691 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.54 -42.14 54.89 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.353 -0.842 . . . . 2.96 109.33 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.16 -54.11 49.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.935 . . . . 1.75 109.885 -179.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.07 -39.42 85.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 108.688 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.401 ' O ' ' CD ' ' D' ' 349' ' ' GLU . 20.9 t-20 -58.37 -56.99 14.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.292 -0.88 . . . . 1.22 109.314 179.6 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.26 -33.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 1.73 109.8 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.91 83.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.179 -0.95 . . . . 1.0700000000000001 109.686 -179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.38 -49.96 73.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.45 -0.782 . . . . 1.1100000000000001 109.882 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' D' ' 345' ' ' ASN . 3.3 mp0 -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.093 -1.005 . . . . 1.9099999999999999 109.374 -179.625 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.86 -52.99 53.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 109.076 179.843 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.78 -45.27 94.62 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.847 . . . . 2.1499999999999999 109.029 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -55.98 -35.74 67.08 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.49 -0.756 . . . . 1.4399999999999999 109.36 179.674 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.88 67.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.3 109.265 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.3999999999999999 109.454 179.798 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.38 -0.6 . . . . 1.7 109.38 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.66 153.5 18.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 1.04 109.297 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -139.63 -171.86 3.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.345 -0.847 . . . . 0.65000000000000002 109.249 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -152.27 149.41 28.66 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 108.927 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.67 132.66 24.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.327 -0.858 . . . . 1.0900000000000001 109.736 -178.844 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -85.47 128.36 34.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -124.12 118.36 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.54 -0.725 . . . . 1.1499999999999999 109.492 -179.773 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.1 149.77 37.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.496 -0.753 . . . . 2.79 109.735 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 137.24 6.08 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.568 -1.013 . . . . 0.45000000000000001 110.568 179.049 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.23 -54.45 5.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.446 -1.032 . . . . 3.1600000000000001 109.227 179.548 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.72 -40.74 80.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.188 -0.945 . . . . 2.2200000000000002 108.591 179.586 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -62.63 -44.76 95.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.357 -0.979 . . . . 3.54 108.357 179.248 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.23 -55.26 37.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.679 -0.638 . . . . 0.5 109.374 179.407 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.2 -35.19 25.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 1.6599999999999999 109.893 -179.556 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.62 -52.29 63.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.087 -1.008 . . . . 1.1499999999999999 109.804 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.54 -46.36 90.44 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.27 -0.894 . . . . 0.34000000000000002 109.36 -179.922 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.23 -43.77 53.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.942 . . . . 2.9399999999999999 109.214 179.717 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.8 -42.8 98.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.199 -0.938 . . . . 1.74 109.398 179.677 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.47 -48.26 80.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.268 -0.895 . . . . 1.0700000000000001 109.202 179.78 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -57.56 -46.82 83.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.22 109.097 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.24 -40.01 92.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 1.72 109.041 179.664 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.63 56.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.459 -0.776 . . . . 1.0700000000000001 109.511 -179.994 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.81 -43.52 98.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.361 -0.837 . . . . 1.0800000000000001 109.144 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.12 -35.52 75.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.24 -0.913 . . . . 1.9099999999999999 109.314 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.88 -50.23 69.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 1.1499999999999999 109.411 -179.824 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.83 -46.91 85.73 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.1400000000000001 109.04 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.98 66.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.544 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -46.13 74.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -0.914 . . . . 1.3 109.758 -179.75 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.4199999999999999 109.754 -179.721 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.431 -0.581 . . . . 1.6100000000000001 109.431 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.6 153.49 18.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.96999999999999997 109.302 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -139.72 -171.83 3.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.316 -0.865 . . . . 0.59999999999999998 109.265 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.3 149.56 28.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.967 . . . . 1.1000000000000001 108.868 -179.956 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.78 132.53 23.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.308 -0.87 . . . . 1.1000000000000001 109.708 -178.757 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.37 128.34 34.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.84 -0.8 . . . . 1.3600000000000001 108.84 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.17 118.15 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.458 -0.776 . . . . 1.1699999999999999 109.562 -179.737 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.89 149.67 37.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.513 -0.742 . . . . 2.79 109.861 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 137.37 6.19 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.538 -1.025 . . . . 0.47999999999999998 110.538 179.048 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.3 -54.42 5.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.388 -1.066 . . . . 3.2200000000000002 109.318 179.426 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.71 -40.78 80.35 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.039 -1.038 . . . . 2.21 108.663 179.497 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.326 -0.99 . . . . 3.5499999999999998 108.326 179.211 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.25 -55.3 36.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.646 -0.659 . . . . 0.52000000000000002 109.38 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -50.25 -35.13 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.409 -0.807 . . . . 1.6799999999999999 109.84 -179.453 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.64 -52.37 63.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.221 -0.924 . . . . 1.1499999999999999 109.757 -179.615 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.228 -0.92 . . . . 0.33000000000000002 109.365 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.31 -43.74 53.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 3.02 109.149 179.761 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.76 -42.81 98.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.324 -0.86 . . . . 1.75 109.376 179.691 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.54 -48.21 80.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 109.166 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.64 -46.77 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.141 -0.974 . . . . 1.21 109.007 179.683 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.27 -39.92 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 1.6899999999999999 109.057 179.708 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.64 56.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.403 -0.811 . . . . 1.0600000000000001 109.462 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.7 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.883 . . . . 1.0800000000000001 109.15 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.99 -35.58 75.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 1.9299999999999999 109.354 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.89 -50.27 69.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 1.1399999999999999 109.336 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.85 -46.83 86.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 2.1899999999999999 109.043 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.51 -31.92 66.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.438 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.3100000000000001 109.676 -179.635 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 2.1099999999999999 109.389 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -92.62 153.54 18.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.01 109.329 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.67 -171.86 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 0.57999999999999996 109.262 -179.832 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.23 149.64 28.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.88 . . . . 1.1599999999999999 108.857 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.81 132.52 23.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 1.1699999999999999 109.729 -178.822 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -85.34 128.35 34.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 1.8100000000000001 108.914 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.7 mt -124.16 118.28 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.408 -0.808 . . . . 1.1299999999999999 109.511 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.04 149.71 37.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 2.8199999999999998 109.765 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 137.41 6.21 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.481 -1.047 . . . . 0.45000000000000001 110.481 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.31 -54.52 4.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.341 -1.094 . . . . 3.0800000000000001 109.26 179.44 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.64 -40.84 80.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.102 -0.999 . . . . 2.54 108.634 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.358 -0.979 . . . . 4.1100000000000003 108.358 179.252 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.31 -55.31 36.44 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.384 0.612 . . . . 0.56999999999999995 109.382 179.359 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -50.2 -35.19 25.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.821 . . . . 1.6599999999999999 109.882 -179.494 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.67 -52.25 64.05 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.168 -0.958 . . . . 1.29 109.785 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.64 -46.25 91.01 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.25 -0.906 . . . . 0.40000000000000002 109.293 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.33 -43.73 54.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 3.8500000000000001 109.123 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.92 -42.69 98.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.316 -0.865 . . . . 1.78 109.372 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.46 -48.34 80.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.237 -0.914 . . . . 1.1699999999999999 109.16 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.57 -46.84 83.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -0.972 . . . . 1.2 109.017 179.741 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.047 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.69 55.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.459 -0.776 . . . . 1.0700000000000001 109.476 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.7 -43.7 98.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.327 -0.858 . . . . 1.1399999999999999 109.167 179.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.81 -35.68 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 2.0899999999999999 109.311 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.82 -50.18 69.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 1.3799999999999999 109.423 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.81 -47.0 85.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.397 -0.815 . . . . 2.6800000000000002 108.987 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.43 -31.93 66.38 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.568 -0.708 . . . . 1.3400000000000001 109.49 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 1.3 109.715 -179.653 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.301 0.572 . . . . 1.6699999999999999 109.473 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.55 153.55 18.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 1.01 109.393 179.792 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.72 -171.85 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.63 109.195 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -152.32 149.45 28.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.232 -0.917 . . . . 1.1299999999999999 108.897 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.66 132.59 24.28 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.792 -178.799 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.4 128.38 34.7 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.368 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.21 118.19 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.499 -0.75 . . . . 1.1499999999999999 109.488 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.88 149.73 37.73 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.509 -0.744 . . . . 2.77 109.815 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 137.4 6.14 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.486 -1.045 . . . . 0.42999999999999999 110.486 178.994 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.29 -54.52 4.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.441 -1.035 . . . . 3.1200000000000001 109.273 179.468 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.62 -40.83 80.07 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.051 -1.031 . . . . 2.2200000000000002 108.631 179.478 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.64 95.78 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.401 -0.963 . . . . 3.5 108.401 179.223 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -57.32 -55.23 37.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.655 -0.653 . . . . 0.5 109.398 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.25 -35.05 25.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 1.6899999999999999 109.905 -179.552 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.82 -52.27 63.8 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 109.726 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.56 -46.32 90.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.171 -0.956 . . . . 0.32000000000000001 109.365 -179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.3 -43.7 53.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 2.96 109.177 179.769 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.83 -42.76 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 1.75 109.342 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.52 -48.18 80.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 1.0800000000000001 109.231 179.768 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.63 -46.9 83.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.116 -0.99 . . . . 1.22 108.967 179.675 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.23 -39.97 92.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 1.73 109.042 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.63 56.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 1.0700000000000001 109.518 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.62 -43.76 98.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 1.1100000000000001 109.125 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.99 -35.58 75.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 1.9099999999999999 109.338 179.906 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.8 -50.26 69.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 1.1699999999999999 109.375 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.92 -46.92 85.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 2.1499999999999999 109.033 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.88 66.32 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.632 -0.667 . . . . 1.4399999999999999 109.497 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -46.14 73.85 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 1.3 109.746 -179.71 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.176 -0.953 . . . . 1.3999999999999999 109.692 -179.722 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.213 0.53 . . . . 1.7 109.63 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -94.0 162.08 14.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.257 -0.902 . . . . 1.04 109.619 179.875 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.19 -171.73 3.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.275 -0.89 . . . . 0.65000000000000002 109.347 179.699 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.64 144.51 24.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 109.08 -179.751 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.71 136.69 37.6 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.483 -0.761 . . . . 1.0900000000000001 110.158 -178.702 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -86.04 130.74 34.44 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.906 -0.775 . . . . 1.3700000000000001 108.906 179.155 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.45 117.39 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.491 -0.755 . . . . 1.1499999999999999 109.247 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.33 151.5 39.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.578 -0.702 . . . . 2.79 109.746 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.44 135.27 3.03 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.434 -1.067 . . . . 0.45000000000000001 110.434 179.094 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.91 -50.55 10.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.482 -1.011 . . . . 3.1600000000000001 109.288 179.612 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.76 -35.42 72.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.774 179.873 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.524 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 10.0 tpp180 -65.4 -41.46 93.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.277 -0.889 . . . . 3.54 109.004 179.581 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -55.37 -53.02 61.41 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.501 -0.749 . . . . 0.5 109.941 -179.918 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.36 55.71 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.005 -179.55 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.32 -51.85 64.3 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.243 -0.911 . . . . 1.1499999999999999 110.317 -179.3 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.94 -47.12 87.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.255 -0.903 . . . . 0.34000000000000002 109.289 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.39 -43.75 54.66 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.22 -0.925 . . . . 2.9399999999999999 109.34 179.835 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.29 93.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.213 -0.929 . . . . 1.74 109.524 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.46 -47.61 83.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 1.0700000000000001 109.233 179.857 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.29 -47.51 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.193 -0.942 . . . . 1.22 109.476 179.827 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.15 -36.61 80.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.822 . . . . 1.72 109.395 -179.947 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.67 88.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 109.201 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.58 -48.22 80.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.485 -0.759 . . . . 1.0800000000000001 109.463 179.758 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.64 -34.59 72.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 1.9099999999999999 109.431 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.63 -49.07 72.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.401 -0.812 . . . . 1.1499999999999999 109.339 -179.779 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.285 -0.884 . . . . 2.1400000000000001 108.916 179.495 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.37 -33.06 69.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.557 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -45.36 77.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 1.3 109.658 -179.667 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.874 . . . . 1.4199999999999999 109.546 -179.877 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' D' ' 335' ' ' ARG . 48.5 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.3 0.571 . . . . 1.6100000000000001 109.602 . . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.99 162.12 14.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.223 -0.923 . . . . 0.96999999999999997 109.583 179.873 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.12 -171.71 3.25 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.328 -0.857 . . . . 0.59999999999999998 109.414 179.711 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.81 144.36 24.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.151 -0.968 . . . . 1.1000000000000001 109.133 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 63.8 tp -137.5 136.85 38.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.4 -0.812 . . . . 1.1000000000000001 110.251 -178.666 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.21 130.66 34.45 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.934 -0.765 . . . . 1.3600000000000001 108.934 179.172 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.32 117.46 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.459 -0.775 . . . . 1.1699999999999999 109.244 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.5 151.53 39.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.526 -0.734 . . . . 2.79 109.704 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.51 135.28 3.07 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.385 -1.086 . . . . 0.47999999999999998 110.385 179.072 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -79.98 -50.52 10.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.442 -1.034 . . . . 3.2200000000000002 109.331 179.556 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.79 -35.3 72.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 2.21 108.834 179.857 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.54 ' H ' ' CD ' ' B' ' 336' ' ' GLU . 10.0 tpp180 -65.42 -41.51 93.48 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.263 -0.898 . . . . 3.5499999999999998 108.985 179.52 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.27 -53.14 59.89 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.498 -0.752 . . . . 0.52000000000000002 109.902 -179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.37 55.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 1.6799999999999999 109.989 -179.436 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.272 -0.893 . . . . 1.1499999999999999 110.367 -179.325 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.02 -47.14 87.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.103 -0.998 . . . . 0.33000000000000002 109.295 -179.797 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.42 -43.69 54.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.287 -0.883 . . . . 3.02 109.348 179.836 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.35 -45.26 94.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.75 109.597 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.48 -47.55 83.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.234 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -58.39 -47.39 84.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.161 -0.962 . . . . 1.21 109.432 179.876 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.24 -36.6 80.41 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.339 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.71 88.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 1.0600000000000001 109.159 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.56 -48.36 79.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.486 -0.759 . . . . 1.0800000000000001 109.445 179.801 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.54 -34.48 72.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.327 -0.858 . . . . 1.9299999999999999 109.53 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.5 tp -64.62 -49.14 72.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.284 -0.885 . . . . 1.1399999999999999 109.368 -179.902 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -47.99 77.19 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.363 -0.836 . . . . 2.1899999999999999 108.919 179.464 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.27 -33.17 69.11 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.671 -0.643 . . . . 1.4299999999999999 109.617 179.757 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.332 -0.855 . . . . 1.3100000000000001 109.757 -179.697 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.217 0.532 . . . . 2.1099999999999999 109.628 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -93.89 162.06 14.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.289 -0.882 . . . . 1.01 109.685 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -140.14 -171.66 3.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.291 -0.881 . . . . 0.57999999999999996 109.336 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.7 144.49 24.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.14 -0.975 . . . . 1.1599999999999999 109.025 -179.778 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -137.64 136.86 37.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.427 -0.796 . . . . 1.1699999999999999 110.115 -178.71 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.23 130.71 34.43 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.896 -0.779 . . . . 1.8100000000000001 108.896 179.163 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.37 117.4 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 1.1299999999999999 109.225 -179.935 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -74.4 151.59 39.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.639 -0.663 . . . . 2.8199999999999998 109.669 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.41 135.26 3.02 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.471 -1.051 . . . . 0.45000000000000001 110.471 179.103 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -79.95 -50.44 10.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.068 . . . . 3.0800000000000001 109.368 179.522 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.85 -35.3 72.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 2.54 108.799 179.846 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 tpp180 -65.47 -41.5 93.28 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.217 -0.927 . . . . 4.1100000000000003 108.929 179.599 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.33 -53.05 61.07 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.568 -0.707 . . . . 0.56999999999999995 109.957 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.34 -37.27 55.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.6599999999999999 110.043 -179.533 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.2 ttp -63.54 -51.74 64.15 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.204 -0.935 . . . . 1.29 110.289 -179.257 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -60.84 -47.19 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.94 . . . . 0.40000000000000002 109.36 -179.857 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.35 -43.82 54.25 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.178 -0.951 . . . . 3.8500000000000001 109.317 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.3 -45.23 94.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.265 -0.897 . . . . 1.78 109.61 179.936 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.45 -47.65 83.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 1.1699999999999999 109.166 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.26 -47.55 83.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.136 -0.978 . . . . 1.2 109.411 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.5 80.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.209 -0.932 . . . . 2.1200000000000001 109.409 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.77 88.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 109.174 179.823 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -62.48 -48.25 80.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.459 -0.776 . . . . 1.1399999999999999 109.561 179.748 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.62 -34.57 72.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.458 179.925 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.5 -49.24 72.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 1.3799999999999999 109.354 -179.898 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.345 -0.847 . . . . 2.6800000000000002 108.938 179.539 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.32 -33.09 69.11 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.547 -0.721 . . . . 1.3400000000000001 109.574 179.764 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.387 -0.82 . . . . 1.3 109.708 -179.697 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.257 0.551 . . . . 1.6699999999999999 109.617 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -93.99 162.11 14.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.225 -0.922 . . . . 1.01 109.551 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.1 -171.64 3.23 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.38 -0.825 . . . . 0.63 109.408 179.69 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -151.84 144.43 24.22 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.209 -0.932 . . . . 1.1299999999999999 109.045 -179.83 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.58 136.82 37.92 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.395 -0.816 . . . . 1.1000000000000001 110.191 -178.649 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.17 130.75 34.42 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.931 -0.766 . . . . 1.3700000000000001 108.931 179.124 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.47 117.4 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.493 -0.755 . . . . 1.1499999999999999 109.194 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -74.43 151.56 39.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.568 -0.707 . . . . 2.77 109.732 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.49 135.39 3.09 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.396 -1.081 . . . . 0.42999999999999999 110.396 179.06 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' B' ' 326' ' ' GLU . 41.3 ttm180 -80.06 -50.52 10.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -1.008 . . . . 3.1200000000000001 109.289 179.603 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.88 -35.32 72.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.15 -0.969 . . . . 2.2200000000000002 108.787 179.879 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.536 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 10.0 tpp180 -65.34 -41.56 93.81 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 3.5 109.058 179.464 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -55.33 -53.04 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.558 -0.714 . . . . 0.5 109.95 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.38 -37.36 56.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.434 -0.791 . . . . 1.6899999999999999 109.974 -179.481 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -51.71 64.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.141 -0.974 . . . . 1.1399999999999999 110.385 -179.324 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.96 -47.15 87.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -0.977 . . . . 0.32000000000000001 109.27 -179.825 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.41 -43.72 54.87 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 2.96 109.283 179.86 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.35 93.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 1.75 109.483 -179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.33 -47.72 83.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.238 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.36 -47.37 84.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.195 -0.941 . . . . 1.22 109.476 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.52 80.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 1.73 109.448 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.65 88.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 1.0700000000000001 109.227 179.828 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.64 -48.2 80.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.463 -0.773 . . . . 1.1100000000000001 109.439 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.68 -34.54 73.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.447 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.56 -49.17 72.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.34 -179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.32 -48.09 76.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.337 -0.852 . . . . 2.1499999999999999 108.884 179.542 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.2 -33.13 68.94 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.568 -0.708 . . . . 1.4399999999999999 109.589 179.802 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.38 77.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.28 -0.888 . . . . 1.3 109.681 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.559 -179.893 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.218 0.533 . . . . 1.7 109.693 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -98.76 153.47 18.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.317 -0.864 . . . . 1.04 110.376 -179.864 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.96 135.37 34.28 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.309 -0.997 . . . . 0.65000000000000002 108.309 178.491 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 60.7 p -96.92 158.82 15.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.311 -0.868 . . . . 1.1399999999999999 109.705 -179.392 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.19 132.99 17.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.913 . . . . 1.0900000000000001 109.96 -179.253 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.48 34.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 1.3700000000000001 108.904 179.288 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.88 113.07 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.602 -0.686 . . . . 1.1499999999999999 109.445 -179.688 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.5 153.28 37.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.435 -0.791 . . . . 2.79 109.803 179.423 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 134.98 4.79 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.265 -1.134 . . . . 0.45000000000000001 110.265 179.292 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' A' ' 335' ' ' ARG . 19.5 ttt-85 -77.14 -50.67 12.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.365 -1.079 . . . . 3.1600000000000001 109.208 179.555 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.11 -38.02 72.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.2200000000000002 109.095 179.804 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.551 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.359 -0.838 . . . . 3.54 109.656 179.788 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -54.81 -57.17 12.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.549 -0.719 . . . . 0.5 109.996 -179.533 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.75 -39.49 52.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 109.896 -179.616 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.55 -53.99 39.29 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 110.552 -179.149 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.14 -45.07 95.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.973 -1.079 . . . . 0.34000000000000002 109.004 -179.691 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.32 59.15 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.279 -0.888 . . . . 2.9399999999999999 109.42 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.6 -52.87 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.74 109.832 -179.86 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.55 -36.59 78.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 108.717 179.791 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.1 -56.24 24.78 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.509 -0.744 . . . . 1.22 109.342 179.591 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.95 -31.83 73.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -0.779 . . . . 1.72 109.621 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.37 13.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 110.223 -179.462 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.77 -44.35 96.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 1.0800000000000001 109.395 -179.723 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.93 -36.08 71.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 108.885 179.729 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.48 -45.01 89.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.785 -0.821 . . . . 1.1499999999999999 108.785 179.678 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.969 0.89 . . . . 2.1400000000000001 108.792 179.196 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -52.38 -40.98 62.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.397 -0.594 . . . . 1.4299999999999999 109.397 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.35 83.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.285 -0.885 . . . . 1.3 109.191 179.637 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.361 -0.837 . . . . 1.4199999999999999 109.564 179.929 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.159 0.504 . . . . 1.6100000000000001 109.709 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.9 m-85 -98.76 153.48 18.71 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.295 -0.878 . . . . 0.96999999999999997 110.333 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.02 135.43 34.23 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.271 -1.011 . . . . 0.59999999999999998 108.271 178.494 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -96.97 158.75 15.28 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.7 -179.382 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.25 133.09 18.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 1.1000000000000001 109.968 -179.309 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.85 130.47 34.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.864 179.361 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -123.93 113.01 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.545 -0.722 . . . . 1.1699999999999999 109.422 -179.709 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.33 153.3 37.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.437 -0.789 . . . . 2.79 109.762 179.37 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.0 135.14 4.8 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.222 -1.151 . . . . 0.47999999999999998 110.222 179.237 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' B' ' 335' ' ' ARG . 19.4 ttt-85 -77.24 -50.73 12.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -1.063 . . . . 3.2200000000000002 109.169 179.536 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.1 -38.01 72.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 2.21 109.086 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.565 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.47 -43.33 79.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.299 -0.875 . . . . 3.5499999999999998 109.612 179.829 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.76 -57.23 12.36 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.466 -0.771 . . . . 0.52000000000000002 109.965 -179.484 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.68 -39.57 51.4 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.4 -0.812 . . . . 1.6799999999999999 109.889 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.53 -54.02 38.79 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.204 -0.935 . . . . 1.1499999999999999 110.491 -179.074 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.15 -44.99 95.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.957 -1.089 . . . . 0.33000000000000002 108.997 -179.628 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.43 59.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.286 -0.884 . . . . 3.02 109.412 179.684 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -60.57 -52.86 63.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.75 109.815 -179.789 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.57 -36.5 78.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.101 -0.999 . . . . 1.0700000000000001 108.756 179.807 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.19 -56.23 24.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.454 -0.779 . . . . 1.21 109.308 179.596 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.86 -31.9 73.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 1.6899999999999999 109.655 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -57.29 13.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.0600000000000001 110.198 -179.388 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.84 -44.29 97.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 1.0800000000000001 109.413 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.97 -35.97 71.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -0.927 . . . . 1.9299999999999999 108.924 179.721 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.51 -45.04 88.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.392 -0.817 . . . . 1.1399999999999999 108.824 179.619 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.89 -46.61 87.02 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.733 -0.839 . . . . 2.1899999999999999 108.733 179.195 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -52.52 -40.84 62.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.411 -0.588 . . . . 1.4299999999999999 109.411 -179.871 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 1.3100000000000001 109.148 179.646 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.71 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.0 m-85 -98.8 153.48 18.73 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.252 -0.905 . . . . 1.01 110.312 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.92 135.51 34.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.276 -1.009 . . . . 0.57999999999999996 108.276 178.488 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.0 158.97 15.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.188 -0.945 . . . . 1.1599999999999999 109.649 -179.396 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -148.4 132.99 17.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 1.1699999999999999 109.936 -179.261 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.62 34.5 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.878 -0.786 . . . . 1.8100000000000001 108.878 179.274 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.03 113.08 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.572 -0.705 . . . . 1.1299999999999999 109.395 -179.672 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.44 153.37 37.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.482 -0.761 . . . . 2.8199999999999998 109.802 179.387 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.87 135.15 4.74 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.353 -1.099 . . . . 0.45000000000000001 110.353 179.349 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' C' ' 335' ' ' ARG . 19.5 ttt-85 -77.27 -50.7 12.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -1.046 . . . . 3.0800000000000001 109.168 179.606 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.1 72.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.372 -0.83 . . . . 2.54 109.056 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.557 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.49 -43.23 79.48 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.399 -0.813 . . . . 4.1100000000000003 109.658 179.833 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.8 -57.19 12.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.5 -0.75 . . . . 0.56999999999999995 109.967 -179.575 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.73 -39.51 52.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.3 -0.875 . . . . 1.6599999999999999 109.905 -179.62 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.56 -54.01 38.84 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.216 -0.928 . . . . 1.29 110.516 -179.105 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -62.16 -44.99 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.033 -1.042 . . . . 0.40000000000000002 109.0 -179.609 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -50.89 -43.36 59.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 3.8500000000000001 109.365 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.63 -52.86 63.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.88 . . . . 1.78 109.813 -179.796 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.57 -36.47 78.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 1.1699999999999999 108.747 179.786 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.24 -56.17 25.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.536 -0.727 . . . . 1.2 109.341 179.593 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.89 -31.89 73.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 2.1200000000000001 109.666 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -57.3 13.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.187 -179.459 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.78 -44.37 96.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 1.1399999999999999 109.395 -179.746 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.96 -35.98 71.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.971 179.751 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.45 -45.0 89.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.34 -0.85 . . . . 1.3799999999999999 108.816 179.59 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.0 -46.68 86.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.741 -0.837 . . . . 2.6800000000000002 108.741 179.22 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -52.31 -40.91 62.47 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.334 0.587 . . . . 1.3400000000000001 109.478 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.235 -0.916 . . . . 1.3 109.186 179.635 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.22 0.533 . . . . 1.6699999999999999 109.706 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.8 m-85 -98.78 153.49 18.71 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.296 -0.878 . . . . 1.01 110.376 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.0 135.47 34.32 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.242 -1.022 . . . . 0.63 108.242 178.472 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.4 p -96.99 158.76 15.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.169 -0.957 . . . . 1.1299999999999999 109.707 -179.38 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.2 133.02 17.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 1.1000000000000001 109.934 -179.237 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.87 130.46 34.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.896 -0.779 . . . . 1.3700000000000001 108.896 179.325 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.89 113.06 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.486 -0.758 . . . . 1.1499999999999999 109.397 -179.671 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.52 153.42 37.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.473 -0.767 . . . . 2.77 109.786 179.352 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.93 135.15 4.77 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.216 -1.153 . . . . 0.42999999999999999 110.216 179.316 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' D' ' 335' ' ' ARG . 19.4 ttt-85 -77.2 -50.81 12.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.399 -1.059 . . . . 3.1200000000000001 109.106 179.611 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.09 72.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.031 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.554 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.33 79.3 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.427 -0.796 . . . . 3.5 109.634 179.785 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -54.72 -57.36 11.83 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.591 -0.693 . . . . 0.5 109.982 -179.528 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.64 -39.53 50.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.878 -179.587 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.52 -53.97 39.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.263 -0.898 . . . . 1.1399999999999999 110.543 -179.126 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.1 -45.09 95.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.978 -1.076 . . . . 0.32000000000000001 109.052 -179.699 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.78 -43.43 58.53 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.322 -0.861 . . . . 2.96 109.361 179.698 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.63 -52.85 63.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.75 109.774 -179.72 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.52 -36.57 78.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 108.749 179.748 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.26 24.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.462 -0.773 . . . . 1.22 109.325 179.595 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.85 -31.84 73.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.406 -0.809 . . . . 1.73 109.67 -179.924 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -57.25 13.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 110.175 -179.387 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.87 -44.29 97.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 1.1100000000000001 109.376 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.9 -36.04 71.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.9099999999999999 108.965 179.667 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.49 -44.99 89.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 1.1699999999999999 108.766 179.647 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -62.97 -46.65 86.7 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.867 0.842 . . . . 2.1499999999999999 108.753 179.218 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.36 -40.92 62.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.312 0.577 . . . . 1.4399999999999999 109.471 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.32 83.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 1.3 109.215 179.677 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.421 -0.799 . . . . 1.3999999999999999 109.553 179.948 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.338 0.589 . . . . 1.7 109.833 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.98 156.66 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.32 -0.863 . . . . 1.04 109.59 179.723 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.13 136.62 35.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.857 . . . . 0.65000000000000002 108.77 178.903 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.4 157.58 15.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.285 -0.885 . . . . 1.1399999999999999 109.527 -179.576 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.9 131.08 17.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.399 -0.813 . . . . 1.0900000000000001 110.022 -178.58 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.4 132.62 34.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.083 179.575 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.4 118.98 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 121.549 0.69 . . . . 1.1499999999999999 109.352 -179.598 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.86 148.67 38.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.566 -0.709 . . . . 2.79 109.704 179.732 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.42 6.1 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.542 -1.023 . . . . 0.45000000000000001 110.542 179.075 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.97 -46.5 12.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.427 -1.043 . . . . 3.1600000000000001 109.188 179.51 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.15 -40.49 77.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 2.2200000000000002 108.864 179.694 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.588 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -41.14 78.1 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.439 -0.788 . . . . 3.54 109.457 179.638 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.58 -59.22 5.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.546 -0.721 . . . . 0.5 110.039 -179.596 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.82 -35.3 43.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 109.622 -179.628 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.04 -57.36 8.85 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.245 -0.909 . . . . 1.1499999999999999 110.322 -179.513 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.94 91.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.976 . . . . 0.34000000000000002 108.883 -179.791 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.496 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -50.06 -42.24 49.4 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.376 -0.827 . . . . 2.9399999999999999 109.105 179.42 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.82 -45.29 93.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.74 109.396 179.488 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.06 -45.84 91.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.286 179.921 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.77 -49.34 76.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.22 109.259 179.926 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.1 -38.15 87.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 1.72 109.279 179.873 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.3 66.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.387 -0.821 . . . . 1.0700000000000001 109.605 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.88 -46.59 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 1.0800000000000001 109.293 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.01 -35.44 73.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.198 179.811 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.68 -47.2 82.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -0.817 . . . . 1.1499999999999999 109.165 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.389 -0.82 . . . . 2.1400000000000001 108.863 179.699 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -56.91 -31.76 65.25 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.587 179.749 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.14 83.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.254 -0.904 . . . . 1.3 109.754 -179.771 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.215 -0.928 . . . . 1.4199999999999999 109.395 -179.969 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.279 0.561 . . . . 1.6100000000000001 109.849 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.99 156.66 16.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.327 -0.858 . . . . 0.96999999999999997 109.64 179.677 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.09 136.67 35.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.853 . . . . 0.59999999999999998 108.746 178.912 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.39 157.57 15.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -0.858 . . . . 1.1000000000000001 109.531 -179.603 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.93 130.98 17.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.39 -0.819 . . . . 1.1000000000000001 110.069 -178.595 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.38 132.65 34.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 109.061 179.623 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.37 119.01 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 CA-C-O 121.527 0.68 . . . . 1.1699999999999999 109.337 -179.597 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.87 148.64 38.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.527 -0.733 . . . . 2.79 109.676 179.708 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.42 142.39 6.16 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.527 -1.029 . . . . 0.47999999999999998 110.527 179.027 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.0 -46.47 12.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.503 -0.998 . . . . 3.2200000000000002 109.235 179.468 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.2 -40.44 77.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 2.21 108.851 179.711 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.575 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.08 -41.08 78.19 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.411 -0.806 . . . . 3.5499999999999998 109.441 179.633 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.58 -59.23 5.13 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.654 -0.654 . . . . 0.52000000000000002 110.065 -179.636 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.85 -35.31 44.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.567 -179.581 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.05 -57.31 8.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.268 -0.895 . . . . 1.1499999999999999 110.289 -179.457 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -61.89 -45.91 91.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.33000000000000002 108.879 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.479 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.6 OUTLIER -50.09 -42.25 49.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.378 -0.826 . . . . 3.02 109.115 179.418 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.81 -45.29 93.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 1.75 109.409 179.474 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.07 -45.76 92.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 1.0700000000000001 109.339 179.904 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.74 -49.43 76.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.179 -0.951 . . . . 1.21 109.242 179.868 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.09 -38.06 87.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.264 -0.897 . . . . 1.6899999999999999 109.343 179.902 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -52.35 66.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 1.0600000000000001 109.622 -179.969 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.82 -46.71 88.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 1.0800000000000001 109.276 179.88 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.92 -35.47 73.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.202 -0.936 . . . . 1.9299999999999999 109.196 179.791 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.64 -47.18 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.423 -0.798 . . . . 1.1399999999999999 109.19 179.832 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.26 -48.96 75.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.358 -0.839 . . . . 2.1899999999999999 108.867 179.701 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -56.92 -31.66 65.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.632 -0.668 . . . . 1.4299999999999999 109.652 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 1.3100000000000001 109.684 -179.753 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.273 0.559 . . . . 2.1099999999999999 109.865 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.01 156.75 16.2 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 1.01 109.598 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -139.15 136.56 35.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.282 -0.886 . . . . 0.57999999999999996 108.779 178.951 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.34 157.61 15.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.288 -0.883 . . . . 1.1599999999999999 109.582 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.94 131.04 17.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.416 -0.802 . . . . 1.1699999999999999 110.049 -178.568 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.39 132.66 34.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 1.8100000000000001 109.05 179.601 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.4 119.0 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.488 0.661 . . . . 1.1299999999999999 109.338 -179.615 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.96 148.67 37.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.591 -0.693 . . . . 2.8199999999999998 109.639 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.4 6.09 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.588 -1.005 . . . . 0.45000000000000001 110.588 179.131 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -82.97 -46.53 12.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.48 -1.012 . . . . 3.0800000000000001 109.177 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.16 -40.49 77.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.335 -0.853 . . . . 2.54 108.832 179.743 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.588 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -41.17 77.84 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.439 -0.788 . . . . 4.1100000000000003 109.508 179.585 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.53 -59.25 5.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.572 -0.705 . . . . 0.56999999999999995 110.102 -179.647 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.81 -35.3 43.76 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.307 -0.871 . . . . 1.6599999999999999 109.622 -179.67 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.03 -57.38 8.83 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.225 -0.922 . . . . 1.29 110.314 -179.529 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.93 91.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.40000000000000002 108.911 -179.794 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.49 ' HB3' HH11 ' C' ' 342' ' ' ARG . 0.6 OUTLIER -50.1 -42.24 49.96 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.367 -0.833 . . . . 3.8500000000000001 109.073 179.41 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.84 -45.27 93.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 1.78 109.386 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.05 -45.77 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 1.1699999999999999 109.343 179.893 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.73 -49.49 76.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.182 -0.949 . . . . 1.2 109.248 179.863 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.0 -38.16 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.274 -0.891 . . . . 2.1200000000000001 109.313 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -52.32 66.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 1.0700000000000001 109.635 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.88 -46.67 88.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.121 -0.987 . . . . 1.1399999999999999 109.287 179.86 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.94 -35.45 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.217 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.64 -47.22 82.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.17 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.31 -48.89 76.16 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.37 -0.831 . . . . 2.6800000000000002 108.802 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -56.98 -31.69 65.3 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.683 -0.636 . . . . 1.3400000000000001 109.575 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.3 109.759 -179.787 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.307 0.575 . . . . 1.6699999999999999 109.89 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.98 156.75 16.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 1.01 109.562 179.731 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.16 136.64 35.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.315 -0.866 . . . . 0.63 108.7 178.933 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.41 157.49 15.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 1.1299999999999999 109.539 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.85 131.04 17.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -0.799 . . . . 1.1000000000000001 110.048 -178.618 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.35 132.68 34.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.3700000000000001 109.081 179.595 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.45 119.01 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-O 121.572 0.701 . . . . 1.1499999999999999 109.288 -179.556 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.88 148.67 38.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.523 -0.736 . . . . 2.77 109.671 179.674 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.44 6.11 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.527 -1.029 . . . . 0.42999999999999999 110.527 179.072 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.03 -46.49 12.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.516 -0.991 . . . . 3.1200000000000001 109.166 179.499 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -57.18 -40.44 77.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.907 179.703 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.587 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -41.17 78.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.38 -0.825 . . . . 3.5 109.423 179.613 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -55.49 -59.3 5.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.595 -0.69 . . . . 0.5 110.033 -179.63 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.84 -35.32 44.15 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.32 -0.863 . . . . 1.6899999999999999 109.585 -179.566 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.04 -57.33 8.95 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.169 -0.957 . . . . 1.1399999999999999 110.279 -179.479 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.88 -45.91 91.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.089 -1.007 . . . . 0.32000000000000001 108.886 -179.796 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.498 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.6 OUTLIER -50.11 -42.25 50.03 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.442 -0.786 . . . . 2.96 109.104 179.434 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.8 -45.24 93.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -0.938 . . . . 1.75 109.433 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.16 -45.75 92.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 1.0800000000000001 109.278 179.955 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.69 -49.46 76.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.173 -0.954 . . . . 1.22 109.285 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.03 -38.12 87.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 1.73 109.324 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.3 66.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.63 -179.94 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.84 -46.68 88.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.932 . . . . 1.1100000000000001 109.306 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.95 -35.45 73.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 1.9099999999999999 109.186 179.789 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.66 -47.18 82.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 1.1699999999999999 109.168 179.875 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.364 -0.835 . . . . 2.1499999999999999 108.894 179.679 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -57.02 -31.59 65.28 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.703 -0.623 . . . . 1.4399999999999999 109.608 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.0 82.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.879 . . . . 1.3 109.763 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.3999999999999999 109.385 179.998 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.371 -0.603 . . . . 1.7 109.371 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -97.34 153.11 18.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.213 -0.93 . . . . 1.04 109.95 -179.884 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.35 137.78 34.36 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.685 -0.858 . . . . 0.65000000000000002 108.685 179.08 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -94.79 163.41 13.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.87 . . . . 1.1399999999999999 109.05 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.92 132.79 17.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.173 -0.954 . . . . 1.0900000000000001 110.147 -179.079 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.58 127.23 33.95 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.699 -0.852 . . . . 1.3700000000000001 108.699 179.299 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.2 mt -124.26 111.17 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.546 -0.721 . . . . 1.1499999999999999 109.776 -179.296 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.53 152.61 37.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.769 . . . . 2.79 109.531 179.531 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.97 131.67 4.14 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.065 -1.214 . . . . 0.45000000000000001 110.065 179.617 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.81 -51.95 8.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -1.136 . . . . 3.1600000000000001 109.566 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.28 -38.89 77.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.972 -1.08 . . . . 2.2200000000000002 109.756 -179.596 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.115 -0.99 . . . . 3.54 109.699 -179.958 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.71 -53.44 52.08 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.439 -0.788 . . . . 0.5 109.908 -179.809 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -51.47 -39.51 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 1.6599999999999999 110.13 -179.499 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.14 -51.32 66.96 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.206 -0.934 . . . . 1.1499999999999999 110.483 -179.174 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.68 -42.62 97.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.06 -1.025 . . . . 0.34000000000000002 109.069 -179.636 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.249 -0.907 . . . . 2.9399999999999999 109.447 179.754 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.82 -46.29 91.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.74 109.967 -179.647 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.97 -41.05 95.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.515 -179.717 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.99 -50.33 74.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 1.22 109.576 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.92 81.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.297 -0.877 . . . . 1.72 109.769 -179.756 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.54 57.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 1.0700000000000001 109.912 -179.582 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.6 -42.64 99.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 1.0800000000000001 109.482 -179.868 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.3 -35.42 73.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.157 -0.965 . . . . 1.9099999999999999 109.225 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.9 -52.3 51.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 1.1499999999999999 109.193 179.907 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.05 -36.46 79.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.328 -0.858 . . . . 2.1400000000000001 109.056 179.784 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.71 -36.2 66.93 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.656 -0.653 . . . . 1.4299999999999999 109.272 179.808 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.95 80.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 1.3 109.597 -179.981 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.216 -0.928 . . . . 1.4199999999999999 109.668 -179.87 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.411 -0.589 . . . . 1.6100000000000001 109.411 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.32 153.08 18.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.234 -0.916 . . . . 0.96999999999999997 109.973 -179.812 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.39 137.66 34.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 0.59999999999999998 108.74 179.121 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.9 p -94.68 163.37 13.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 1.1000000000000001 109.043 -179.857 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 132.74 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.013 -1.054 . . . . 1.1000000000000001 110.198 -179.096 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.6 127.21 33.95 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.653 -0.869 . . . . 1.3600000000000001 108.653 179.412 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.29 111.25 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 121.553 0.692 . . . . 1.1699999999999999 109.774 -179.337 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.42 152.62 37.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.448 -0.783 . . . . 2.79 109.566 179.456 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.91 131.82 4.16 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.001 -1.24 . . . . 0.47999999999999998 110.001 179.572 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.95 -51.96 8.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.3 -1.118 . . . . 3.2200000000000002 109.585 179.958 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.26 -38.93 77.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.142 -0.974 . . . . 2.21 109.714 -179.609 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.409 HH22 ' CG ' ' D' ' 352' ' ' ASP . 30.7 ttm180 -62.96 -42.13 99.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.265 -0.897 . . . . 3.5499999999999998 109.703 -179.918 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -53.72 -53.41 52.52 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.52000000000000002 109.907 -179.772 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.49 -39.5 57.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 1.6799999999999999 110.114 -179.507 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.11 -51.37 66.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 110.539 -179.221 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.58 -42.62 97.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.036 -1.04 . . . . 0.33000000000000002 109.143 -179.696 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.41 63.31 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 3.02 109.478 179.731 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.73 -46.39 90.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 1.75 109.99 -179.701 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.94 -41.13 95.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 109.47 -179.65 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.89 -50.42 74.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 1.21 109.612 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.63 -35.94 81.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 1.6899999999999999 109.757 -179.759 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -53.6 56.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 1.0600000000000001 109.952 -179.607 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.62 -42.64 99.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 1.0800000000000001 109.431 -179.838 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.26 -35.43 73.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.182 -0.949 . . . . 1.9299999999999999 109.267 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.87 -52.37 50.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.126 179.92 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.06 -36.52 79.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.363 -0.836 . . . . 2.1899999999999999 109.037 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.76 -36.11 66.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.48 -0.763 . . . . 1.4299999999999999 109.275 179.834 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 1.3100000000000001 109.628 179.931 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.385 -0.598 . . . . 2.1099999999999999 109.385 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.34 153.13 18.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.218 -0.926 . . . . 1.01 109.97 -179.834 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -140.41 137.75 34.22 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.721 -0.844 . . . . 0.57999999999999996 108.721 179.079 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.1 p -94.78 163.41 13.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.306 -0.872 . . . . 1.1599999999999999 109.034 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.96 132.74 16.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.08 -1.013 . . . . 1.1699999999999999 110.208 -179.072 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.62 127.23 33.96 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.61 -0.885 . . . . 1.8100000000000001 108.61 179.408 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.25 111.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.533 -0.73 . . . . 1.1299999999999999 109.844 -179.349 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.5 152.6 37.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.533 -0.729 . . . . 2.8199999999999998 109.572 179.569 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 131.67 4.16 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 109.967 -1.253 . . . . 0.45000000000000001 109.967 179.533 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.79 -51.94 8.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 3.0800000000000001 109.55 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.35 -38.83 78.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 2.54 109.686 -179.526 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.05 -42.06 99.63 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.207 -0.933 . . . . 4.1100000000000003 109.693 -179.938 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -53.76 -53.42 52.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.475 -0.766 . . . . 0.56999999999999995 109.888 -179.769 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.56 57.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 1.6599999999999999 110.091 -179.519 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.15 -51.34 66.84 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.187 -0.946 . . . . 1.29 110.488 -179.127 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.69 -42.56 97.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.98 . . . . 0.40000000000000002 109.085 -179.628 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.39 63.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.278 -0.889 . . . . 3.8500000000000001 109.513 179.718 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -60.76 -46.33 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.389 -0.819 . . . . 1.78 110.036 -179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.95 -41.13 95.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.24 -0.913 . . . . 1.1699999999999999 109.497 -179.721 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.88 -50.36 74.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 1.2 109.656 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.94 81.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 2.1200000000000001 109.717 -179.762 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.45 -53.67 55.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 109.92 -179.607 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.59 -42.62 99.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 109.444 -179.765 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.31 -35.4 73.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 2.0899999999999999 109.218 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.88 -52.33 51.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 1.3799999999999999 109.153 179.899 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.13 -36.45 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 2.6800000000000002 109.064 179.764 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.75 -36.12 66.93 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.554 -0.716 . . . . 1.3400000000000001 109.319 179.73 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.3 109.631 179.909 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.422 -0.585 . . . . 1.6699999999999999 109.422 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.3 153.09 18.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.204 -0.935 . . . . 1.01 110.008 -179.902 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.3 137.67 34.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.744 -0.836 . . . . 0.63 108.744 179.082 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -94.7 163.45 13.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.873 . . . . 1.1299999999999999 109.093 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.0 132.78 16.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 1.1000000000000001 110.142 -179.059 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.69 127.24 34.0 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.422 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.27 111.22 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.51 -0.744 . . . . 1.1499999999999999 109.84 -179.317 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.36 152.53 38.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.421 -0.8 . . . . 2.77 109.624 179.49 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 131.78 4.17 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.011 -1.236 . . . . 0.42999999999999999 110.011 179.511 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.87 -51.82 8.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -1.103 . . . . 3.1200000000000001 109.634 179.94 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.31 -38.93 78.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.11 -0.994 . . . . 2.2200000000000002 109.77 -179.641 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -62.96 -42.09 99.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.218 -0.926 . . . . 3.5 109.705 -179.951 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.71 -53.46 51.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.453 -0.779 . . . . 0.5 109.89 -179.773 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.62 57.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 110.061 -179.531 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.16 -51.26 67.13 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.208 -0.933 . . . . 1.1399999999999999 110.495 -179.08 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.7 -42.61 97.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.32000000000000001 109.037 -179.644 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.4 63.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.294 -0.879 . . . . 2.96 109.476 179.772 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.78 -46.34 90.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.75 109.957 -179.669 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.98 -41.1 95.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 109.492 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.87 -50.32 74.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.157 -0.965 . . . . 1.22 109.689 179.888 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.72 -35.94 81.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 1.73 109.71 -179.721 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.5 57.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.171 -0.956 . . . . 1.0700000000000001 109.963 -179.61 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.7 -42.62 99.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.89 . . . . 1.1100000000000001 109.42 -179.845 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.29 -35.33 73.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 1.9099999999999999 109.252 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.96 -52.39 50.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -0.84 . . . . 1.1699999999999999 109.175 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.96 -36.43 79.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 2.1499999999999999 109.089 179.756 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 337' ' ' ARG . 9.7 m-20 -55.8 -36.18 67.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.489 -0.757 . . . . 1.4399999999999999 109.239 179.823 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.96 80.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 1.3 109.601 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 1.3999999999999999 109.624 -179.889 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.181 0.515 . . . . 1.7 109.742 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -95.83 158.4 15.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.272 -0.893 . . . . 1.04 109.89 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 98.4 m-85 -140.08 -169.68 2.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.479 -0.763 . . . . 0.65000000000000002 109.489 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.48 151.03 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.241 -0.912 . . . . 1.1399999999999999 108.676 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -142.69 134.16 26.39 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.314 -0.866 . . . . 1.0900000000000001 110.073 -178.327 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 35.2 tp60 -84.65 129.03 34.89 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.513 -0.921 . . . . 1.3700000000000001 108.513 178.917 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.38 113.71 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.442 -0.786 . . . . 1.1499999999999999 109.115 -179.68 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.81 147.55 41.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.537 -0.727 . . . . 2.79 109.751 179.922 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.02 136.83 5.4 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.108 -1.197 . . . . 0.45000000000000001 110.108 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.27 -50.51 8.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -1.108 . . . . 3.1600000000000001 109.341 179.694 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.02 -37.99 69.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 109.02 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.75 -44.5 85.76 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.691 -0.855 . . . . 3.54 108.691 179.244 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.86 -50.8 69.59 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.703 -0.623 . . . . 0.5 109.81 179.912 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.59 -40.09 62.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.336 -0.853 . . . . 1.6599999999999999 110.014 -179.484 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.94 -49.5 74.52 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 110.341 -179.133 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.84 -44.27 97.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.34000000000000002 109.29 -179.642 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.94 -43.44 60.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 2.9399999999999999 109.467 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.03 -49.65 76.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 1.74 109.454 -179.996 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.09 -36.35 77.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 1.0700000000000001 108.602 179.582 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.76 -57.99 10.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 1.22 109.367 179.571 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.3 -32.0 73.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.465 -0.772 . . . . 1.72 109.925 -179.753 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.26 66.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.918 -179.396 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.14 -47.51 85.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 1.0800000000000001 109.368 -179.959 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.79 62.2 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 108.865 179.643 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -57.95 6.5 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.348 -0.982 . . . . 1.1499999999999999 108.348 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.473 ' CB ' ' NZ ' ' A' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.13 71.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.843 0.83 . . . . 2.1400000000000001 108.778 -179.819 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.37 -37.96 76.28 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.739 -0.601 . . . . 1.4299999999999999 109.668 179.6 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.39 72.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 1.3 109.822 -179.634 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.4199999999999999 109.732 -179.724 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.208 0.527 . . . . 1.6100000000000001 109.789 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.69 158.39 15.47 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.276 -0.89 . . . . 0.96999999999999997 109.891 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.491 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 98.3 m-85 -139.99 -169.61 2.77 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.364 -0.835 . . . . 0.59999999999999998 109.465 -179.94 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.37 151.3 32.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.287 -0.883 . . . . 1.1000000000000001 108.698 179.803 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.03 133.87 25.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.124 -0.985 . . . . 1.1000000000000001 110.082 -178.339 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 34.6 tp60 -84.46 129.07 34.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.499 -0.926 . . . . 1.3600000000000001 108.499 179.024 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.32 113.69 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.412 -0.805 . . . . 1.1699999999999999 109.238 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.9 147.62 40.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.525 -0.735 . . . . 2.79 109.713 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 136.87 5.37 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.999 -1.24 . . . . 0.47999999999999998 109.999 179.546 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.567 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -50.49 8.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.334 -1.098 . . . . 3.2200000000000002 109.306 179.649 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.21 -37.47 69.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.212 -0.93 . . . . 2.21 108.983 -179.947 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.2 -44.37 84.1 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.659 -0.867 . . . . 3.5499999999999998 108.659 179.299 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.94 -50.72 69.99 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.736 -0.603 . . . . 0.52000000000000002 109.751 179.913 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.66 -40.13 62.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.376 -0.827 . . . . 1.6799999999999999 109.962 -179.412 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.89 -49.53 74.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 110.358 -179.169 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -60.79 -44.33 96.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.069 -1.019 . . . . 0.33000000000000002 109.251 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.97 -43.52 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.927 . . . . 3.02 109.366 179.738 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.91 -49.79 76.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 1.75 109.44 -179.993 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.11 -36.38 77.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.216 -0.928 . . . . 1.0700000000000001 108.576 179.666 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.69 -57.98 10.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.416 -0.802 . . . . 1.21 109.358 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.34 -32.14 73.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.431 -0.793 . . . . 1.6899999999999999 109.939 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.18 66.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 1.0600000000000001 109.92 -179.408 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.32 -47.27 86.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.0800000000000001 109.32 -179.94 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -57.88 -26.79 62.59 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.297 -0.877 . . . . 1.9299999999999999 108.778 179.671 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -57.84 6.81 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.401 -0.963 . . . . 1.1399999999999999 108.401 179.773 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.484 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 2.7 ttmp? -59.04 -34.22 71.67 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.771 -0.826 . . . . 2.1899999999999999 108.771 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.774 -0.579 . . . . 1.4299999999999999 109.615 179.612 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 1.3100000000000001 109.84 -179.659 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.19 0.519 . . . . 2.1099999999999999 109.743 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.74 158.47 15.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.324 -0.86 . . . . 1.01 109.846 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 98.5 m-85 -140.07 -169.44 2.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.57999999999999996 109.496 179.99 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.74 150.86 31.56 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.637 -0.875 . . . . 1.1599999999999999 108.637 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -142.62 134.21 26.61 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.29 -0.881 . . . . 1.1699999999999999 110.042 -178.293 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 35.1 tp60 -84.74 129.04 34.88 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.474 -0.935 . . . . 1.8100000000000001 108.474 178.994 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.37 113.79 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.406 -0.809 . . . . 1.1299999999999999 109.161 -179.675 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.86 147.45 41.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.588 -0.695 . . . . 2.8199999999999998 109.835 179.931 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.05 136.9 5.44 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.06 -1.216 . . . . 0.45000000000000001 110.06 179.579 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -50.4 8.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.334 -1.098 . . . . 3.0800000000000001 109.334 179.713 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.1 -37.91 70.03 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.254 -0.904 . . . . 2.54 108.993 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.83 -44.48 85.42 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.677 -0.86 . . . . 4.1100000000000003 108.677 179.268 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.82 -50.88 69.32 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.616 -0.677 . . . . 0.56999999999999995 109.809 179.861 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.6 -40.09 62.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.373 -0.829 . . . . 1.6599999999999999 109.995 -179.467 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.9 -49.44 74.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.318 -0.864 . . . . 1.29 110.43 -179.212 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.9 -44.3 97.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.066 -1.021 . . . . 0.40000000000000002 109.216 -179.609 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -50.94 -43.52 60.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 3.8500000000000001 109.39 179.71 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.92 -49.77 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.78 109.469 179.987 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.98 -36.47 77.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 1.1699999999999999 108.564 179.622 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.64 -58.0 10.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.518 -0.739 . . . . 1.2 109.313 179.634 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.36 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 2.1200000000000001 109.94 -179.726 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.25 66.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.93 -179.489 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.23 -47.33 86.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.082 -1.011 . . . . 1.1399999999999999 109.364 -179.942 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -57.83 -26.81 62.53 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.0899999999999999 108.768 179.66 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -57.97 6.59 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.331 -0.989 . . . . 1.3799999999999999 108.331 179.798 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.2 71.6 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.773 -0.825 . . . . 2.6800000000000002 108.773 -179.831 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.31 -38.01 76.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.312 0.577 . . . . 1.3400000000000001 109.7 179.573 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.902 . . . . 1.3 109.826 -179.619 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.634 -0.506 . . . . 1.6699999999999999 109.634 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.77 158.12 15.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.374 -0.829 . . . . 1.01 109.899 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.551 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 98.3 m-85 -139.87 -169.79 2.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.395 -0.816 . . . . 0.63 109.502 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.05 151.67 33.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.205 -0.935 . . . . 1.1299999999999999 108.633 179.872 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.5 tp -143.37 133.7 24.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.27 -0.894 . . . . 1.1000000000000001 109.994 -178.3 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 35.1 tp60 -84.31 129.09 34.9 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.505 -0.924 . . . . 1.3700000000000001 108.505 178.974 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.42 113.81 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.372 -0.83 . . . . 1.1499999999999999 109.205 -179.788 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.91 147.51 40.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.49 -0.756 . . . . 2.77 109.727 -179.958 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 136.84 5.44 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.041 -1.224 . . . . 0.42999999999999999 110.041 179.547 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.25 -50.46 8.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -1.093 . . . . 3.1200000000000001 109.323 179.656 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -56.17 -37.68 69.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.969 -179.988 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -65.97 -44.52 84.69 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.659 -0.867 . . . . 3.5 108.659 179.21 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.76 -50.93 69.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.668 -0.645 . . . . 0.5 109.768 179.944 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -52.52 -40.06 62.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 110.062 -179.508 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.94 -49.54 74.33 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 110.422 -179.197 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.72 -44.34 96.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.053 -1.029 . . . . 0.32000000000000001 109.265 -179.691 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.02 -43.4 60.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.296 -0.878 . . . . 2.96 109.378 179.773 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.94 -49.78 76.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -0.941 . . . . 1.75 109.497 179.964 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -36.5 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 108.595 179.637 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -58.61 -57.96 10.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.498 -0.751 . . . . 1.22 109.392 179.559 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.37 -32.04 73.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 1.73 109.971 -179.776 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.23 66.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.883 -179.423 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -47.39 86.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 1.1100000000000001 109.286 -179.855 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.69 62.06 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 108.863 179.589 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -58.0 6.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.329 -0.989 . . . . 1.1699999999999999 108.329 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.486 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 2.7 ttmp? -58.94 -34.11 71.38 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.838 0.828 . . . . 2.1499999999999999 108.804 -179.862 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.42 -37.94 76.41 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.35 0.595 . . . . 1.4399999999999999 109.586 179.67 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.5 71.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.143 -0.973 . . . . 1.3 109.816 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.308 -0.87 . . . . 1.3999999999999999 109.758 -179.728 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.246 0.546 . . . . 1.7 109.728 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.09 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.253 -0.904 . . . . 1.04 109.534 179.768 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.93 -172.91 3.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.65000000000000002 109.419 -179.943 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -150.93 150.14 30.48 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.558 -0.904 . . . . 1.1399999999999999 108.558 -179.982 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -141.74 132.27 25.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.258 -0.902 . . . . 1.0900000000000001 109.693 -178.771 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -85.64 129.87 34.71 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.828 -0.804 . . . . 1.3700000000000001 108.828 179.304 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.57 114.18 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.446 -0.784 . . . . 1.1499999999999999 109.1 -179.759 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.79 144.87 43.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.434 -0.791 . . . . 2.79 109.783 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.43 134.67 5.37 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.114 -1.194 . . . . 0.45000000000000001 110.114 179.532 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -80.92 -42.89 20.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.464 -1.021 . . . . 3.1600000000000001 109.32 179.566 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.41 -45.32 88.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 2.2200000000000002 109.336 179.772 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.7 -40.68 97.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 3.54 109.227 179.871 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.14 -54.0 50.36 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.522 -0.736 . . . . 0.5 109.99 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -50.84 -39.07 52.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 1.6599999999999999 110.123 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.92 -51.18 67.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.196 -0.94 . . . . 1.1499999999999999 110.302 -179.362 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -45.66 93.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.079 -1.013 . . . . 0.34000000000000002 109.188 -179.732 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.53 -42.52 61.84 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.282 -0.887 . . . . 2.9399999999999999 109.511 179.733 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.22 -51.08 71.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 1.74 109.809 -179.77 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.51 -37.01 79.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.16 -0.962 . . . . 1.0700000000000001 108.801 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.63 -54.48 46.64 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.41 -0.806 . . . . 1.22 109.392 179.654 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.77 -32.42 73.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.394 -0.816 . . . . 1.72 109.812 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.85 -56.67 19.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.348 -0.845 . . . . 1.0700000000000001 110.115 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.82 -42.76 98.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.14 -0.975 . . . . 1.0800000000000001 109.284 -179.813 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.26 -37.1 74.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 1.9099999999999999 108.867 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.65 -42.44 98.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.517 -0.92 . . . . 1.1499999999999999 108.517 179.56 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.67 -53.8 41.75 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.802 -0.814 . . . . 2.1400000000000001 108.802 178.916 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.1 62.12 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.736 -0.602 . . . . 1.4299999999999999 109.603 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.35 85.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 1.3 109.494 -179.811 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.865 . . . . 1.4199999999999999 109.318 179.934 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.263 0.554 . . . . 1.6100000000000001 109.784 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -94.06 162.34 13.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.275 -0.891 . . . . 0.96999999999999997 109.552 179.841 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.9 -172.87 3.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.352 -0.843 . . . . 0.59999999999999998 109.425 -179.864 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -151.0 150.19 30.47 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.566 -0.902 . . . . 1.1000000000000001 108.566 -179.979 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.87 132.23 25.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.275 -0.891 . . . . 1.1000000000000001 109.648 -178.688 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.62 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.808 -0.812 . . . . 1.3600000000000001 108.808 179.349 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.56 114.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.51 -0.744 . . . . 1.1699999999999999 109.092 -179.815 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.8 144.84 43.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.455 -0.778 . . . . 2.79 109.825 -179.964 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.46 134.59 5.36 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.182 -1.167 . . . . 0.47999999999999998 110.182 179.573 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.85 -42.91 20.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.414 -1.05 . . . . 3.2200000000000002 109.273 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.4 -45.39 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.21 109.28 179.799 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.68 -40.67 97.84 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.296 -0.877 . . . . 3.5499999999999998 109.287 179.923 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.09 -54.0 50.3 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.513 -0.742 . . . . 0.52000000000000002 109.953 -179.85 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -50.84 -39.2 52.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 110.037 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.82 -51.18 68.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.206 -0.934 . . . . 1.1499999999999999 110.288 -179.308 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.31 -45.69 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 0.33000000000000002 109.188 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.41 -42.67 61.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.287 -0.883 . . . . 3.02 109.472 179.67 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.17 -51.13 70.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.127 -0.983 . . . . 1.75 109.858 -179.753 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.53 -36.91 79.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 108.788 179.936 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.67 -54.44 47.07 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.427 -0.796 . . . . 1.21 109.388 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.48 73.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.337 -0.852 . . . . 1.6899999999999999 109.741 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.7 18.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 1.0600000000000001 110.072 -179.484 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.83 -42.82 98.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.101 -0.999 . . . . 1.0800000000000001 109.32 -179.785 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.31 -36.97 74.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.193 -0.942 . . . . 1.9299999999999999 108.911 179.578 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.66 -42.42 98.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.484 -0.932 . . . . 1.1399999999999999 108.484 179.477 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.65 -53.85 41.02 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.779 -0.822 . . . . 2.1899999999999999 108.779 178.899 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -30.08 62.13 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.792 -0.567 . . . . 1.4299999999999999 109.64 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.3100000000000001 109.5 -179.802 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.26 0.552 . . . . 2.1099999999999999 109.718 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.0 162.42 13.89 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -0.918 . . . . 1.01 109.601 179.73 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.06 -172.95 3.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.57999999999999996 109.461 -179.917 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -150.95 150.06 30.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.25 -0.907 . . . . 1.1599999999999999 108.627 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.69 132.39 25.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.278 -0.889 . . . . 1.1699999999999999 109.706 -178.747 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.71 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.791 -0.818 . . . . 1.8100000000000001 108.791 179.399 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.58 114.14 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.433 -0.792 . . . . 1.1299999999999999 109.084 -179.745 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.73 144.82 43.48 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.391 -0.818 . . . . 2.8199999999999998 109.777 -179.924 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.36 134.59 5.32 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.139 -1.184 . . . . 0.45000000000000001 110.139 179.558 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.8 -42.91 20.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.445 -1.032 . . . . 3.0800000000000001 109.246 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.52 -45.27 89.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.316 -0.865 . . . . 2.54 109.278 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -62.71 -40.65 97.84 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.272 -0.893 . . . . 4.1100000000000003 109.283 179.81 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.18 -54.02 50.18 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.74 . . . . 0.56999999999999995 109.93 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.74 -39.25 51.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.322 -0.861 . . . . 1.6599999999999999 110.034 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.9 -51.07 68.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.177 -0.952 . . . . 1.29 110.305 -179.288 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.37 -45.64 93.51 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.40000000000000002 109.192 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.49 -42.51 61.73 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.357 -0.839 . . . . 3.8500000000000001 109.538 179.66 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.26 -51.05 71.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.202 -0.936 . . . . 1.78 109.818 -179.766 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.58 -36.97 79.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 1.1699999999999999 108.761 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.66 -54.48 46.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.465 -0.772 . . . . 1.2 109.427 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.66 -32.57 73.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.387 -0.821 . . . . 2.1200000000000001 109.799 -179.897 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.75 18.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 1.0700000000000001 110.117 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -42.73 98.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 1.1399999999999999 109.36 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.32 -37.01 74.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 108.871 179.528 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.68 -42.49 98.01 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.492 -0.929 . . . . 1.3799999999999999 108.492 179.492 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.64 -53.73 42.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.796 -0.816 . . . . 2.6800000000000002 108.796 178.959 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.18 62.22 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.237 0.541 . . . . 1.3400000000000001 109.647 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.3 109.54 -179.857 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.175 0.512 . . . . 1.6699999999999999 109.755 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.07 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.347 -0.846 . . . . 1.01 109.565 179.791 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -139.85 -172.87 3.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.283 -0.885 . . . . 0.63 109.437 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -150.99 150.21 30.51 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.541 -0.911 . . . . 1.1299999999999999 108.541 179.986 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -141.89 132.2 25.02 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.93 . . . . 1.1000000000000001 109.695 -178.735 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.56 129.93 34.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.803 -0.814 . . . . 1.3700000000000001 108.803 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.6 114.22 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.392 -0.818 . . . . 1.1499999999999999 109.099 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.86 144.81 43.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.429 -0.795 . . . . 2.77 109.742 -179.855 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.45 134.68 5.38 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.125 -1.19 . . . . 0.42999999999999999 110.125 179.548 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.92 -42.89 20.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.449 -1.03 . . . . 3.1200000000000001 109.269 179.633 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.49 -45.3 89.0 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.239 179.819 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.303 -0.873 . . . . 3.5 109.266 179.864 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -56.12 -53.99 50.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.544 -0.723 . . . . 0.5 109.986 -179.845 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.79 -39.14 52.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.421 -0.799 . . . . 1.6899999999999999 110.121 -179.574 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.95 -51.13 68.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 110.317 -179.305 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.19 -45.7 93.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.138 -0.976 . . . . 0.32000000000000001 109.233 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.5 -42.52 61.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.223 -0.923 . . . . 2.96 109.542 179.712 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.18 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.02 . . . . 1.75 109.828 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.51 -37.02 79.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 108.761 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.68 -54.36 47.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.22 109.438 179.63 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.46 73.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.377 -0.827 . . . . 1.73 109.776 -179.834 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.7 18.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.87 . . . . 1.0700000000000001 110.093 -179.491 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.77 -42.86 98.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 1.1100000000000001 109.317 -179.789 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.22 -37.06 74.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.954 . . . . 1.9099999999999999 108.881 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -42.65 98.25 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.508 -0.923 . . . . 1.1699999999999999 108.508 179.484 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.52 -53.83 41.86 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.76 -0.829 . . . . 2.1499999999999999 108.76 179.02 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.23 62.12 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.219 0.533 . . . . 1.4399999999999999 109.613 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.39 85.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.3 109.431 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.279 -0.888 . . . . 1.3999999999999999 109.331 179.946 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.1 -0.704 . . . . 1.7 109.1 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.44 153.33 17.75 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.197 -0.94 . . . . 1.04 110.021 -179.761 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -140.77 137.25 33.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.866 -0.79 . . . . 0.65000000000000002 108.866 179.256 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.77 163.68 13.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.348 -0.845 . . . . 1.1399999999999999 109.221 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.55 132.92 14.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.0900000000000001 109.866 -179.563 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.85 128.02 34.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.467 -0.938 . . . . 1.3700000000000001 108.467 179.038 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.43 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.625 -0.672 . . . . 1.1499999999999999 110.051 -179.377 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 333' ' ' ARG . 21.3 ttt-85 -75.68 153.31 37.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 2.79 109.69 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.13 133.8 2.15 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.202 -1.159 . . . . 0.45000000000000001 110.202 179.381 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -81.16 -50.13 9.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -1.089 . . . . 3.1600000000000001 109.455 179.633 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.09 -40.01 80.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 2.2200000000000002 108.995 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.82 -45.54 92.12 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.625 -0.88 . . . . 3.54 108.625 179.337 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -56.06 -50.11 71.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.599 -0.688 . . . . 0.5 109.355 179.457 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.76 -42.19 64.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.119 -179.668 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.57 -49.05 76.81 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 110.469 -179.141 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.48 -46.22 90.96 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.145 -0.972 . . . . 0.34000000000000002 109.37 -179.66 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.97 -45.29 64.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.198 -0.939 . . . . 2.9399999999999999 109.447 179.699 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.94 -47.62 85.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.74 109.878 -179.822 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.48 -41.81 97.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.296 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.81 -50.35 74.3 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.174 -0.954 . . . . 1.22 109.26 179.538 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.4 -33.64 75.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.385 -0.822 . . . . 1.72 109.595 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.0 71.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 1.0700000000000001 109.643 -179.732 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.12 -43.81 98.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.351 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.87 -35.32 72.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.494 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.78 -52.6 49.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.3 -0.875 . . . . 1.1499999999999999 109.209 -179.874 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.7 -35.55 76.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 109.09 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.157 179.771 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.06 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.3 109.662 179.932 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.379 -0.826 . . . . 1.4199999999999999 109.865 -179.81 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.126 -0.694 . . . . 1.6100000000000001 109.126 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -95.47 153.26 17.79 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.96999999999999997 109.969 -179.731 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -140.76 137.37 33.35 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.801 -0.814 . . . . 0.59999999999999998 108.801 179.227 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.67 163.93 13.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 1.1000000000000001 109.223 -179.945 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.8 132.8 14.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 1.1000000000000001 109.929 -179.681 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -85.81 128.06 34.71 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.46 -0.941 . . . . 1.3600000000000001 108.46 179.047 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.56 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.442 -0.786 . . . . 1.1699999999999999 110.065 -179.412 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' B' ' 333' ' ' ARG . 21.7 ttt-85 -75.65 153.27 37.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.521 -0.737 . . . . 2.79 109.766 179.701 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.02 134.04 2.16 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.301 -1.12 . . . . 0.47999999999999998 110.301 179.453 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.34 -50.2 9.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -1.092 . . . . 3.2200000000000002 109.374 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -40.09 79.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -0.956 . . . . 2.21 108.969 179.7 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.73 -45.63 91.85 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.613 -0.884 . . . . 3.5499999999999998 108.613 179.384 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.0 -50.05 71.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.64 -0.663 . . . . 0.52000000000000002 109.431 179.463 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.77 -42.27 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.069 -179.71 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.49 -49.15 76.5 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.28 -0.887 . . . . 1.1499999999999999 110.371 -179.099 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -61.56 -46.16 91.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.048 -1.032 . . . . 0.33000000000000002 109.295 -179.54 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.04 -45.2 64.56 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.265 -0.897 . . . . 3.02 109.502 179.725 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.93 -47.76 84.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.75 109.804 -179.819 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.4 -41.74 97.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.331 -179.899 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.82 -50.4 74.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.078 -1.014 . . . . 1.21 109.236 179.507 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.33 -33.68 75.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.364 -0.835 . . . . 1.6899999999999999 109.665 -179.976 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.98 71.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 109.705 -179.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.01 -43.83 98.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.253 -0.905 . . . . 1.0800000000000001 109.349 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.03 -35.18 72.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.458 -179.987 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.85 -52.55 49.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 1.1399999999999999 109.219 -179.914 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.8 -35.47 76.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.251 -0.906 . . . . 2.1899999999999999 109.128 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -34.42 66.94 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.193 179.639 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.288 -0.883 . . . . 1.3100000000000001 109.666 179.943 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.117 -0.698 . . . . 2.1099999999999999 109.117 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -95.4 153.28 17.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.197 -0.94 . . . . 1.01 109.96 -179.704 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -140.74 137.36 33.38 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.79 -0.818 . . . . 0.57999999999999996 108.79 179.216 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.74 163.92 13.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 1.1599999999999999 109.21 179.987 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.6 tp -151.73 132.85 14.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 109.887 -179.591 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.87 127.97 34.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.427 -0.953 . . . . 1.8100000000000001 108.427 179.077 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.59 115.63 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.42 -0.8 . . . . 1.1299999999999999 110.016 -179.444 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' C' ' 333' ' ' ARG . 21.6 ttt-85 -75.77 153.31 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.448 -0.783 . . . . 2.8199999999999998 109.613 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.1 134.03 2.19 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 110.24 -1.144 . . . . 0.45000000000000001 110.24 179.415 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.38 -50.18 9.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -1.135 . . . . 3.0800000000000001 109.382 179.683 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.05 -40.16 80.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.54 108.923 179.716 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.62 -45.74 91.48 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.6 -0.889 . . . . 4.1100000000000003 108.6 179.391 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -55.97 -50.1 71.73 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.631 -0.668 . . . . 0.56999999999999995 109.404 179.481 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -52.77 -42.19 64.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 110.052 -179.684 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.63 -49.07 76.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.246 -0.909 . . . . 1.29 110.411 -179.083 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.5 -46.25 90.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.025 -1.047 . . . . 0.40000000000000002 109.329 -179.638 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.98 -45.28 64.41 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.177 -0.952 . . . . 3.8500000000000001 109.444 179.733 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.93 -47.7 85.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.78 109.84 -179.796 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.38 -41.87 97.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 1.1699999999999999 109.271 -179.964 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.8 -50.36 74.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.208 -0.933 . . . . 1.2 109.259 179.629 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.37 -33.59 75.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.424 -0.797 . . . . 2.1200000000000001 109.601 -179.972 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 1.0700000000000001 109.667 -179.732 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.04 -43.79 98.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 1.1399999999999999 109.348 179.944 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.98 -35.25 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.895 . . . . 2.0899999999999999 109.433 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.79 -52.52 50.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.176 -0.952 . . . . 1.3799999999999999 109.216 -179.871 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.83 -35.49 76.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.832 . . . . 2.6800000000000002 109.147 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.52 -34.28 66.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.533 -0.73 . . . . 1.3400000000000001 109.228 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 1.3 109.608 179.981 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.15 -0.685 . . . . 1.6699999999999999 109.15 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -95.32 153.21 17.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.148 -0.97 . . . . 1.01 110.033 -179.746 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -140.7 137.2 33.31 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.943 -0.762 . . . . 0.63 108.943 179.232 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.68 164.0 13.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 1.1299999999999999 109.205 -179.912 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.75 132.82 14.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.251 -0.905 . . . . 1.1000000000000001 109.889 -179.609 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -85.8 127.99 34.7 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.455 -0.943 . . . . 1.3700000000000001 108.455 179.019 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.61 115.6 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 110.033 -179.481 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' D' ' 333' ' ' ARG . 21.4 ttt-85 -75.8 153.37 36.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 2.77 109.648 179.747 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.16 133.98 2.2 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.263 -1.135 . . . . 0.42999999999999999 110.263 179.472 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.44 -50.12 9.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -1.147 . . . . 3.1200000000000001 109.392 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.13 -40.02 80.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.935 179.663 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.76 -45.59 91.99 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.589 -0.893 . . . . 3.5 108.589 179.35 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.15 -50.03 72.28 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.69 -0.631 . . . . 0.5 109.33 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.82 -42.25 64.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 110.031 -179.625 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.49 -49.12 76.63 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.226 -0.922 . . . . 1.1399999999999999 110.392 -179.128 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.51 -46.19 91.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 109.337 -179.581 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.05 -45.26 64.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.197 -0.94 . . . . 2.96 109.424 179.726 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.85 -47.75 84.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 1.75 109.857 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.44 -41.69 97.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.953 . . . . 1.0800000000000001 109.367 -179.924 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.83 -50.47 73.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.218 -0.926 . . . . 1.22 109.199 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.27 -33.81 75.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 1.73 109.592 -179.963 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.57 -50.93 71.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 1.0700000000000001 109.748 -179.733 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.08 -43.87 97.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 1.1100000000000001 109.356 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.96 -35.18 72.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 1.9099999999999999 109.499 179.971 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.84 -52.51 49.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 1.1699999999999999 109.289 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.74 -35.53 76.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 2.1499999999999999 109.111 179.916 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.48 -34.42 66.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.458 -0.776 . . . . 1.4399999999999999 109.206 179.655 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.29 -48.97 63.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.946 . . . . 1.3 109.712 179.985 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 1.3999999999999999 109.829 -179.801 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.267 0.556 . . . . 1.7 109.573 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -92.84 156.01 17.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.232 -0.917 . . . . 1.04 109.471 179.826 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.74 -173.57 3.6 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.362 -0.836 . . . . 0.65000000000000002 109.601 -179.697 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.01 148.33 29.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.409 -0.96 . . . . 1.1399999999999999 108.409 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -141.11 133.43 28.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.32 -0.862 . . . . 1.0900000000000001 109.704 -178.572 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -85.06 132.02 34.38 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.411 -0.959 . . . . 1.3700000000000001 108.411 179.043 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 77.9 mt -123.27 109.19 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.457 -0.777 . . . . 1.1499999999999999 109.41 -179.468 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.27 22.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.428 -0.795 . . . . 2.79 109.372 179.635 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.62 132.49 4.93 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.691 -1.364 . . . . 0.45000000000000001 109.691 179.843 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.563 HH11 ' CG ' ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.18 -44.3 15.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -1.057 . . . . 3.1600000000000001 109.335 179.728 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.08 -46.24 88.77 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.511 -179.94 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' HG3' ' A' ' 337' ' ' ARG . 17.7 ttm-85 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.1 -1.0 . . . . 3.54 109.7 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.15 -54.14 40.15 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.39 -0.818 . . . . 0.5 109.359 -179.841 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.63 -38.04 63.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.323 -0.861 . . . . 1.6599999999999999 109.856 -179.932 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.28 -49.71 72.97 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.267 -0.895 . . . . 1.1499999999999999 110.282 -179.112 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.29 -43.74 95.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.084 -1.01 . . . . 0.34000000000000002 109.133 -179.81 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.1 -43.6 61.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.209 -0.932 . . . . 2.9399999999999999 109.579 179.873 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.77 -45.45 94.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 1.74 109.767 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.3 -45.73 93.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.328 -0.857 . . . . 1.0700000000000001 109.471 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.43 -48.33 82.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.187 -0.946 . . . . 1.22 109.587 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.13 -38.65 92.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.924 . . . . 1.72 109.873 -179.686 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.1 26.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.271 -0.893 . . . . 1.0700000000000001 109.994 -179.569 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.28 -40.68 95.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.457 -179.732 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.7 -36.32 80.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 1.9099999999999999 109.346 179.445 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 63.7 tp -62.99 -50.28 71.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.344 -0.848 . . . . 1.1499999999999999 109.132 179.967 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.63 -49.53 72.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.372 -0.83 . . . . 2.1400000000000001 108.909 179.677 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.81 -32.47 70.67 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 1.4299999999999999 109.727 179.76 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.61 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 1.3 110.122 -179.452 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 1.4199999999999999 109.815 -179.648 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.24 0.543 . . . . 1.6100000000000001 109.563 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.9 155.99 17.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.305 -0.872 . . . . 0.96999999999999997 109.375 179.865 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.66 -173.56 3.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.321 -0.862 . . . . 0.59999999999999998 109.63 -179.738 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.01 148.38 29.67 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.373 -0.973 . . . . 1.1000000000000001 108.373 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.1 133.39 28.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.291 -0.881 . . . . 1.1000000000000001 109.76 -178.628 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.02 132.02 34.39 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.443 -0.947 . . . . 1.3600000000000001 108.443 179.012 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 78.5 mt -123.23 109.19 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.493 -0.754 . . . . 1.1699999999999999 109.407 -179.482 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.45 122.35 22.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.497 -0.752 . . . . 2.79 109.304 179.642 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.6 132.5 4.94 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.752 -1.339 . . . . 0.47999999999999998 109.752 179.795 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.568 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -44.29 15.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.396 -1.061 . . . . 3.2200000000000002 109.369 179.769 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.14 -46.15 89.11 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.354 -0.841 . . . . 2.21 109.499 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.448 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 17.8 ttm-85 -66.13 -38.06 87.24 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.115 -0.991 . . . . 3.5499999999999998 109.632 -179.764 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -53.18 -54.09 40.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.391 -0.818 . . . . 0.52000000000000002 109.365 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.73 -38.05 63.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.6799999999999999 109.814 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.15 -49.82 72.84 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.261 -0.9 . . . . 1.1499999999999999 110.332 -179.207 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.22 -43.73 95.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.063 -1.023 . . . . 0.33000000000000002 109.136 -179.798 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.15 -43.54 61.25 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.312 -0.868 . . . . 3.02 109.6 179.89 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.77 -45.45 94.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 1.75 109.746 -179.809 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.25 -45.83 92.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 1.0700000000000001 109.395 -179.925 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.38 -48.3 82.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.218 -0.926 . . . . 1.21 109.61 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.19 -38.7 92.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 1.6899999999999999 109.827 -179.677 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -56.12 26.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.0600000000000001 109.97 -179.543 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.19 -40.73 95.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.502 -179.755 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.73 -36.3 80.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.316 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.99 -50.39 70.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 109.027 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.57 -49.55 72.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.422 -0.798 . . . . 2.1899999999999999 108.939 179.701 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.86 -32.45 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.691 179.816 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 1.3100000000000001 110.094 -179.443 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.289 0.566 . . . . 2.1099999999999999 109.531 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.95 155.97 17.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -0.927 . . . . 1.01 109.423 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.76 -173.67 3.62 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.387 -0.821 . . . . 0.57999999999999996 109.542 -179.696 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -148.94 148.39 29.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.39 -0.967 . . . . 1.1599999999999999 108.39 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.11 133.3 27.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.79 -178.55 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -84.96 131.97 34.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.438 -0.949 . . . . 1.8100000000000001 108.438 179.074 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 78.6 mt -123.25 109.29 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.53 -0.731 . . . . 1.1299999999999999 109.379 -179.499 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.26 22.77 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.514 -0.741 . . . . 2.8199999999999998 109.32 179.67 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.57 132.57 4.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.719 -1.352 . . . . 0.45000000000000001 109.719 179.81 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -44.35 15.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -1.084 . . . . 3.0800000000000001 109.31 179.772 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.01 -46.19 88.82 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.361 -0.837 . . . . 2.54 109.583 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.449 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 17.9 ttm-85 -66.07 -38.12 87.51 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.127 -0.983 . . . . 4.1100000000000003 109.692 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.14 -54.09 40.89 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.385 -0.822 . . . . 0.56999999999999995 109.408 -179.873 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -53.76 -37.97 63.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 1.6599999999999999 109.834 -179.928 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.18 -49.87 72.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.269 -0.894 . . . . 1.29 110.333 -179.273 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.2 -43.75 95.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.40000000000000002 109.177 -179.82 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.14 -43.51 61.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.205 -0.934 . . . . 3.8500000000000001 109.574 179.884 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.8 -45.44 94.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 1.78 109.732 -179.785 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.4 -45.71 93.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.365 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -59.49 -48.22 82.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.2 109.582 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.17 -38.83 92.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 2.1200000000000001 109.87 -179.751 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.14 26.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.992 -179.603 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.24 -40.72 95.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.262 -0.899 . . . . 1.1399999999999999 109.444 -179.724 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.74 -36.27 80.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.34 179.518 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.91 -50.35 71.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.181 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.6 -49.52 73.01 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.437 -0.789 . . . . 2.6800000000000002 108.951 179.726 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.79 -32.52 70.7 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.584 -0.698 . . . . 1.3400000000000001 109.686 179.808 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.3 110.082 -179.432 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.536 -0.542 . . . . 1.6699999999999999 109.536 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.9 156.11 17.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.297 -0.877 . . . . 1.01 109.418 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.81 -173.58 3.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.63 109.64 -179.711 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.03 148.32 29.58 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.391 -0.966 . . . . 1.1299999999999999 108.391 179.947 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.0 tp -141.07 133.4 28.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 1.1000000000000001 109.749 -178.549 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.04 131.96 34.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.417 -0.957 . . . . 1.3700000000000001 108.417 179.081 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 78.3 mt -123.23 109.2 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.424 -0.798 . . . . 1.1499999999999999 109.362 -179.431 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.53 122.28 22.85 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.475 -0.766 . . . . 2.77 109.355 179.611 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.64 132.56 4.94 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 109.716 -1.353 . . . . 0.42999999999999999 109.716 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.559 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.28 -44.32 15.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -1.08 . . . . 3.1200000000000001 109.296 179.829 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.03 -46.14 88.97 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.602 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.443 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 17.8 ttm-85 -66.12 -38.12 87.38 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.095 -1.003 . . . . 3.5 109.638 -179.804 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.18 -54.08 41.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.346 -0.846 . . . . 0.5 109.443 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.68 -37.98 63.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.852 -179.991 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.27 -49.77 72.75 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.308 -0.87 . . . . 1.1399999999999999 110.305 -179.158 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.23 -43.72 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.11 -0.994 . . . . 0.32000000000000001 109.119 -179.819 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.24 -43.39 61.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.212 -0.93 . . . . 2.96 109.565 179.94 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.82 -45.5 94.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.75 109.698 -179.833 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.26 -45.87 92.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.35 -179.896 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.38 -48.37 81.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.858 . . . . 1.22 109.584 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.13 -38.67 92.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.73 109.877 -179.716 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.08 26.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.987 -179.589 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.3 -40.67 95.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.1100000000000001 109.461 -179.709 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.74 -36.28 80.55 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.264 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.96 -50.39 70.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 1.1699999999999999 109.12 179.908 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.55 -49.54 73.03 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.428 -0.795 . . . . 2.1499999999999999 108.974 179.653 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.82 -32.51 70.72 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.621 -0.674 . . . . 1.4399999999999999 109.671 179.799 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.66 82.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.325 -0.859 . . . . 1.3 110.086 -179.436 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.128 -0.982 . . . . 1.3999999999999999 109.808 -179.634 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.593 -0.521 . . . . 1.7 109.593 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -94.27 157.52 16.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.271 -0.893 . . . . 1.04 109.65 179.872 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.5 -168.67 2.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.477 -0.765 . . . . 0.65000000000000002 109.289 -179.813 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.61 148.94 28.57 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.638 -0.875 . . . . 1.1399999999999999 108.638 179.928 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -142.8 135.06 27.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.254 -0.904 . . . . 1.0900000000000001 109.739 -178.722 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.94 130.1 34.69 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.433 -0.951 . . . . 1.3700000000000001 108.433 179.157 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.35 110.73 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.48 -0.763 . . . . 1.1499999999999999 109.246 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.66 145.65 43.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.596 -0.69 . . . . 2.79 110.06 -179.662 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.09 127.0 2.92 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.135 -1.186 . . . . 0.45000000000000001 110.135 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.69 -40.96 69.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.322 -1.105 . . . . 3.1600000000000001 109.211 179.468 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -58.35 -47.44 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.473 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.55 -40.56 97.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.245 -0.909 . . . . 3.54 109.499 179.931 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.32 -54.57 41.9 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.516 -0.74 . . . . 0.5 109.911 -179.765 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.61 -42.15 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 1.6599999999999999 109.921 -179.623 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.35 -50.09 71.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 110.419 -179.305 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.1 -45.01 96.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.34000000000000002 109.084 -179.73 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 346' ' ' GLU . 13.5 ttm180 -51.95 -43.23 63.4 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.333 -0.854 . . . . 2.9399999999999999 109.743 179.835 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -61.31 -44.32 97.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.28 -0.888 . . . . 1.74 110.135 -179.395 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.75 -40.81 93.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.396 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.97 -53.98 52.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.22 109.661 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 2.0 mp0 -62.77 -38.1 89.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.912 . . . . 1.72 109.612 -179.725 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.88 53.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 109.831 -179.672 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.08 -45.4 93.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.406 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.35 -34.27 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 1.9099999999999999 109.303 179.789 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.86 -45.04 91.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.309 -0.87 . . . . 1.1499999999999999 109.273 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -63.76 -48.38 77.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 2.1400000000000001 108.832 179.306 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.8 -31.68 64.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.694 -0.628 . . . . 1.4299999999999999 109.488 179.762 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.41 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 1.3 109.662 -179.837 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 1.4199999999999999 109.571 -179.885 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.247 0.546 . . . . 1.6100000000000001 109.619 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.29 157.59 15.97 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.255 -0.903 . . . . 0.96999999999999997 109.595 179.909 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.58 -168.73 2.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.46 -0.775 . . . . 0.59999999999999998 109.246 -179.809 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.59 149.1 28.78 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.542 -0.91 . . . . 1.1000000000000001 108.542 179.932 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.91 134.98 27.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.295 -0.878 . . . . 1.1000000000000001 109.703 -178.646 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.89 130.06 34.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.493 -0.929 . . . . 1.3600000000000001 108.493 179.123 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.32 110.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.403 -0.811 . . . . 1.1699999999999999 109.325 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.52 145.61 43.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 2.79 110.086 -179.656 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 127.0 2.9 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.21 -1.156 . . . . 0.47999999999999998 110.21 179.597 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.78 -40.93 68.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -1.087 . . . . 3.2200000000000002 109.187 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.28 -47.4 83.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.278 -0.889 . . . . 2.21 109.537 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.58 -40.61 97.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.272 -0.892 . . . . 3.5499999999999998 109.492 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.27 -54.68 40.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 0.52000000000000002 109.86 -179.705 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.49 -42.11 63.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.917 -179.57 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.46 -50.17 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.334 -0.854 . . . . 1.1499999999999999 110.314 -179.237 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.02 -44.97 96.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.01 -1.056 . . . . 0.33000000000000002 109.139 -179.727 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' B' ' 346' ' ' GLU . 13.5 ttm180 -51.99 -43.2 63.49 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.31 -0.869 . . . . 3.02 109.756 179.88 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.26 -44.37 97.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.208 -0.933 . . . . 1.75 110.204 -179.497 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.66 -40.85 93.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.0700000000000001 109.344 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.98 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 1.21 109.629 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.17 89.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.6899999999999999 109.639 -179.703 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.92 52.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 1.0600000000000001 109.834 -179.693 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.96 -45.61 92.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 1.0800000000000001 109.353 -179.861 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.28 -34.29 72.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.9299999999999999 109.263 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.88 -45.18 90.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 1.1399999999999999 109.24 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.6 -48.38 77.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 2.1899999999999999 108.814 179.357 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.75 -31.74 64.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.653 -0.655 . . . . 1.4299999999999999 109.521 179.788 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.892 . . . . 1.3100000000000001 109.613 -179.845 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.235 0.54 . . . . 2.1099999999999999 109.575 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -94.26 157.48 16.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.225 -0.922 . . . . 1.01 109.628 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.52 -168.69 2.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.397 -0.815 . . . . 0.57999999999999996 109.325 -179.89 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.63 148.9 28.51 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.595 -0.891 . . . . 1.1599999999999999 108.595 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.77 134.98 27.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 1.1699999999999999 109.737 -178.648 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -84.86 130.01 34.72 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.509 -0.922 . . . . 1.8100000000000001 108.509 179.112 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.39 110.83 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.459 -0.775 . . . . 1.1299999999999999 109.213 -179.668 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.73 145.67 42.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.68 -0.638 . . . . 2.8199999999999998 109.99 -179.633 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.06 127.11 2.94 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.106 -1.198 . . . . 0.45000000000000001 110.106 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -71.86 -40.92 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.43 -1.041 . . . . 3.0800000000000001 109.158 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.31 -47.45 83.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.85 . . . . 2.54 109.439 -179.987 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.57 -40.64 97.52 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.27 -0.894 . . . . 4.1100000000000003 109.415 -179.978 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.29 -54.57 41.82 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.483 -0.761 . . . . 0.56999999999999995 109.916 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.57 -42.15 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.922 -179.634 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -50.11 71.21 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.286 -0.884 . . . . 1.29 110.385 -179.295 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.1 -45.04 96.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.138 -0.976 . . . . 0.40000000000000002 109.037 -179.703 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.412 ' O ' ' OE1' ' C' ' 346' ' ' GLU . 13.5 ttm180 -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.313 -0.867 . . . . 3.8500000000000001 109.755 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.2 -44.34 97.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.136 -0.977 . . . . 1.78 110.185 -179.505 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 1.1699999999999999 109.36 -179.769 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -59.17 -53.89 53.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 1.2 109.597 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.14 89.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.661 -179.784 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.79 54.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 109.801 -179.616 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.04 -45.65 92.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 1.1399999999999999 109.335 -179.881 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -34.34 72.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.306 179.849 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.78 -45.18 90.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.3799999999999999 109.303 179.946 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.64 -48.37 77.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.259 -0.901 . . . . 2.6800000000000002 108.856 179.339 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.73 -31.82 64.91 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.671 -0.643 . . . . 1.3400000000000001 109.516 179.754 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 1.3 109.666 -179.869 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.176 0.512 . . . . 1.6699999999999999 109.631 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.27 157.43 16.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.259 -0.9 . . . . 1.01 109.61 179.878 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.48 -168.72 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.456 -0.777 . . . . 0.63 109.318 -179.867 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.62 149.0 28.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.283 -0.885 . . . . 1.1299999999999999 108.62 179.93 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -142.81 134.94 27.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.735 -178.62 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.85 130.03 34.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.596 -0.89 . . . . 1.3700000000000001 108.596 179.084 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.37 110.69 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.5 -0.75 . . . . 1.1499999999999999 109.25 -179.555 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.62 145.6 43.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.649 -0.657 . . . . 2.77 109.99 -179.607 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.15 127.08 2.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.083 -1.207 . . . . 0.42999999999999999 110.083 179.519 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.83 -40.95 68.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.369 -1.077 . . . . 3.1200000000000001 109.162 179.477 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.34 -47.41 83.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 2.2200000000000002 109.492 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -62.61 -40.59 97.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.24 -0.913 . . . . 3.5 109.41 -179.996 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.31 -54.54 42.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.53 -0.731 . . . . 0.5 109.94 -179.711 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.53 -42.1 64.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.944 -179.702 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.5 -50.07 71.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.214 -0.929 . . . . 1.1399999999999999 110.342 -179.218 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.08 -45.02 96.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.006 . . . . 0.32000000000000001 109.048 -179.687 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' D' ' 346' ' ' GLU . 13.5 ttm180 -52.0 -43.29 63.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.196 -0.94 . . . . 2.96 109.714 179.931 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.06 -44.42 97.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.18 -0.95 . . . . 1.75 110.259 -179.515 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.8 -40.71 93.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.065 -1.022 . . . . 1.0800000000000001 109.374 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -59.05 -53.93 52.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.22 109.661 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 2.0 mp0 -62.75 -38.12 89.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.73 109.614 -179.726 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.7 55.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.855 -179.628 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.06 -45.44 93.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.239 -0.913 . . . . 1.1100000000000001 109.392 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.4 -34.25 72.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.286 179.855 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.91 -45.08 90.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 1.1699999999999999 109.243 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.74 -48.37 77.28 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.318 -0.864 . . . . 2.1499999999999999 108.758 179.401 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.72 -31.8 64.87 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.727 -0.608 . . . . 1.4399999999999999 109.463 179.757 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -44.43 79.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 1.3 109.653 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 1.3999999999999999 109.632 -179.927 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.521 -0.548 . . . . 1.7 109.521 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.9 152.5 19.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 1.04 110.153 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -141.49 137.3 31.99 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.722 -0.844 . . . . 0.65000000000000002 108.722 178.92 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -93.72 163.76 13.41 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 1.1399999999999999 109.119 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.24 130.78 14.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 1.0900000000000001 110.038 -179.209 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.51 34.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.651 -0.87 . . . . 1.3700000000000001 108.651 179.377 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.28 115.63 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.538 -0.726 . . . . 1.1499999999999999 109.706 -179.377 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.26 156.95 33.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.447 -0.783 . . . . 2.79 109.777 179.675 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.8 138.9 2.29 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.348 -1.101 . . . . 0.45000000000000001 110.348 179.331 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.42 -48.93 9.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -1.065 . . . . 3.1600000000000001 109.395 179.69 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.08 -39.88 79.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -0.92 . . . . 2.2200000000000002 109.101 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.94 -43.05 99.21 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.416 -0.802 . . . . 3.54 109.386 179.829 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.52 -56.0 25.31 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.544 -0.723 . . . . 0.5 109.863 -179.808 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.25 -38.61 41.63 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.224 -0.923 . . . . 1.6599999999999999 109.917 -179.565 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.3 -53.98 40.41 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.126 -0.984 . . . . 1.1499999999999999 110.476 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.56 -43.26 99.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.017 -1.052 . . . . 0.34000000000000002 109.187 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.67 -44.5 63.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.196 -0.94 . . . . 2.9399999999999999 109.208 179.454 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.9 -43.95 97.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.74 109.865 -179.874 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.78 -40.84 94.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 1.0700000000000001 109.242 -179.96 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.41 -54.77 43.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.925 . . . . 1.22 109.443 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.64 -33.72 75.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.892 . . . . 1.72 109.509 -179.8 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.33 23.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.847 -179.613 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.5 -45.21 95.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.485 -179.865 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.82 -34.19 72.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 1.9099999999999999 109.462 179.965 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.31 -50.08 69.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 1.1499999999999999 109.336 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.37 -47.17 83.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 2.1400000000000001 109.051 179.867 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.8 -31.68 66.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.552 -0.718 . . . . 1.4299999999999999 109.474 179.679 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.88 78.59 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.3 109.654 -179.831 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.4199999999999999 109.239 -179.948 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.6 -0.519 . . . . 1.6100000000000001 109.6 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -98.86 152.48 19.7 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.185 -0.947 . . . . 0.96999999999999997 110.074 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -141.57 137.31 31.87 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.694 -0.854 . . . . 0.59999999999999998 108.694 178.929 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -93.74 163.95 13.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.335 -0.853 . . . . 1.1000000000000001 109.066 -179.912 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.38 130.74 14.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 1.1000000000000001 110.087 -179.228 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.15 128.43 34.66 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.642 -0.873 . . . . 1.3600000000000001 108.642 179.381 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.25 115.64 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.541 -0.724 . . . . 1.1699999999999999 109.706 -179.44 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.24 156.95 33.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.429 -0.795 . . . . 2.79 109.812 179.633 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.81 138.79 2.27 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.349 -1.1 . . . . 0.47999999999999998 110.349 179.359 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.31 -48.93 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.386 179.713 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.21 -39.68 79.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 2.21 109.095 179.879 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.02 99.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.407 -0.808 . . . . 3.5499999999999998 109.391 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.46 -56.18 23.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.568 -0.708 . . . . 0.52000000000000002 109.805 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.69 40.06 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 1.6799999999999999 109.964 -179.542 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.32 -53.91 41.47 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.162 -0.961 . . . . 1.1499999999999999 110.552 -179.266 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.65 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.058 -1.026 . . . . 0.33000000000000002 109.183 -179.575 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.222 -0.924 . . . . 3.02 109.152 179.456 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.05 -43.85 98.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 1.75 109.851 -179.825 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.75 94.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 1.0700000000000001 109.262 -179.959 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.43 -54.7 44.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 1.21 109.513 179.792 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.69 -33.75 75.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.6899999999999999 109.48 -179.897 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.26 24.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.0600000000000001 109.951 -179.652 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.49 -45.31 94.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.462 -179.879 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.75 -34.24 72.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 1.9299999999999999 109.494 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.21 -50.03 69.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.277 -0.89 . . . . 1.1399999999999999 109.398 -179.883 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.43 -47.13 83.19 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 2.1899999999999999 109.009 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.83 -31.76 66.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 109.454 179.693 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 1.3100000000000001 109.612 -179.779 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.576 -0.527 . . . . 2.1099999999999999 109.576 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -98.92 152.51 19.69 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 1.01 110.081 -179.936 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.56 137.3 31.86 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.721 -0.844 . . . . 0.57999999999999996 108.721 178.891 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -93.7 163.87 13.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.318 -0.864 . . . . 1.1599999999999999 109.105 -179.971 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.29 130.69 14.73 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.115 -0.991 . . . . 1.1699999999999999 110.113 -179.197 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.12 128.48 34.67 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.597 -0.89 . . . . 1.8100000000000001 108.597 179.395 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.31 115.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.463 -0.773 . . . . 1.1299999999999999 109.752 -179.459 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.28 156.95 33.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.449 -0.782 . . . . 2.8199999999999998 109.77 179.762 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.76 138.93 2.28 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.337 -1.105 . . . . 0.45000000000000001 110.337 179.344 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -83.47 -48.84 9.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.345 -1.091 . . . . 3.0800000000000001 109.395 179.702 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.15 -39.86 79.9 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.213 -0.929 . . . . 2.54 109.134 179.776 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.89 -43.15 98.87 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 4.1100000000000003 109.329 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.51 -56.05 24.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.728 . . . . 0.56999999999999995 109.83 -179.758 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.72 40.11 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 110.006 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.29 -53.89 41.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.22 -0.925 . . . . 1.29 110.486 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.61 -43.21 99.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.055 -1.028 . . . . 0.40000000000000002 109.211 -179.595 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -51.83 -44.41 63.55 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.224 -0.922 . . . . 3.8500000000000001 109.127 179.539 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.88 -43.92 97.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.78 109.924 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.81 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 1.1699999999999999 109.195 -179.907 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.37 -54.77 43.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.194 -0.941 . . . . 1.2 109.47 179.854 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.489 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.76 -33.68 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.1200000000000001 109.435 -179.774 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.7 -56.3 23.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.973 -179.678 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.5 -45.32 94.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 1.1399999999999999 109.426 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.74 -34.18 72.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.239 -0.913 . . . . 2.0899999999999999 109.447 -179.984 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.24 -50.12 69.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.391 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.31 -47.19 83.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 2.6800000000000002 109.056 179.816 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.82 -31.77 66.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.56 -0.712 . . . . 1.3400000000000001 109.41 179.743 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.3 109.68 -179.823 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.571 -0.529 . . . . 1.6699999999999999 109.571 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -98.89 152.44 19.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.231 -0.918 . . . . 1.01 110.131 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -141.51 137.36 32.02 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.713 -0.847 . . . . 0.63 108.713 178.901 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -93.72 163.97 13.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 1.1299999999999999 109.109 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.35 130.76 14.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 110.015 -179.217 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.48 34.68 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.673 -0.862 . . . . 1.3700000000000001 108.673 179.319 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.29 115.59 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.551 -0.718 . . . . 1.1499999999999999 109.711 -179.408 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.26 156.95 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.419 -0.801 . . . . 2.77 109.797 179.689 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.86 138.74 2.28 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.301 -1.12 . . . . 0.42999999999999999 110.301 179.293 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.25 -48.86 10.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.373 -1.075 . . . . 3.1200000000000001 109.453 179.734 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.25 -39.7 79.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 2.2200000000000002 109.092 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.0 99.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.419 -0.801 . . . . 3.5 109.395 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.5 -56.13 23.82 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.563 -0.71 . . . . 0.5 109.854 -179.863 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.1 -38.68 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.961 -179.614 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.37 -53.9 41.37 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.193 -0.942 . . . . 1.1399999999999999 110.475 -179.177 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -43.24 99.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.049 -1.032 . . . . 0.32000000000000001 109.185 -179.596 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.74 -44.41 63.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.243 -0.911 . . . . 2.96 109.186 179.511 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.93 -43.88 98.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.75 109.869 -179.869 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.84 -40.82 94.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.175 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.36 -54.77 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -0.92 . . . . 1.22 109.476 179.839 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.79 -33.73 75.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.343 -0.848 . . . . 1.73 109.429 -179.74 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.19 25.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 1.0700000000000001 109.944 -179.632 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.53 -45.16 95.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 1.1100000000000001 109.516 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.92 -34.18 72.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.426 -179.987 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.17 -50.15 69.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 1.1699999999999999 109.376 -179.94 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.36 -47.2 83.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.863 . . . . 2.1499999999999999 108.973 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.73 -31.84 66.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 1.4399999999999999 109.483 179.727 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.88 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 1.3 109.665 -179.807 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.92 . . . . 1.3999999999999999 109.353 179.953 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.195 -0.668 . . . . 1.7 109.195 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -96.79 148.99 22.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.131 -0.981 . . . . 1.04 109.838 -179.934 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.53 140.75 35.28 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.373 -0.829 . . . . 0.65000000000000002 108.921 179.466 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -98.19 165.08 12.05 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.332 -179.949 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -150.41 133.01 15.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.275 -0.891 . . . . 1.0900000000000001 109.952 -179.463 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.73 126.57 34.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.382 -0.824 . . . . 1.3700000000000001 108.872 179.353 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.93 114.59 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.462 -0.774 . . . . 1.1499999999999999 109.871 -179.632 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.11 154.31 35.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 2.79 109.657 179.625 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.53 4.16 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.169 -1.172 . . . . 0.45000000000000001 110.169 179.418 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -84.23 -51.08 7.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -1.076 . . . . 3.1600000000000001 109.379 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.25 -40.92 78.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.125 179.84 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.17 -45.69 90.64 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.683 -0.858 . . . . 3.54 108.683 179.487 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.72 -52.65 64.15 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.647 -0.658 . . . . 0.5 109.259 179.434 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.57 -40.15 62.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 1.6599999999999999 109.866 -179.73 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 24.3 ttp -62.71 -50.33 71.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.321 -0.862 . . . . 1.1499999999999999 110.229 -179.577 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.08 -44.96 96.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.19 -0.944 . . . . 0.34000000000000002 109.148 -179.74 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.58 60.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 2.9399999999999999 109.261 179.764 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -61.33 -52.76 63.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.74 109.868 -179.646 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.22 -35.75 76.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.096 -1.003 . . . . 1.0700000000000001 108.675 179.788 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.74 -57.6 12.3 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.46 -0.775 . . . . 1.22 109.387 179.522 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 1.72 109.573 179.962 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.46 -51.62 69.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 110.138 -179.447 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.77 -46.51 89.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 1.0800000000000001 109.428 -179.741 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.146 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.38 -51.86 57.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.085 179.902 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.27 -37.99 85.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.276 -0.89 . . . . 2.1400000000000001 108.946 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -55.73 -36.83 67.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.67 -0.644 . . . . 1.4299999999999999 109.294 179.784 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.15 73.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.446 -0.784 . . . . 1.3 109.556 179.905 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 1.4199999999999999 109.656 -179.843 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.209 -0.663 . . . . 1.6100000000000001 109.209 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.85 148.86 22.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.202 -0.936 . . . . 0.96999999999999997 109.893 -179.916 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.49 140.68 35.36 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.455 -0.778 . . . . 0.59999999999999998 108.921 179.526 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.12 164.95 12.12 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.342 -0.848 . . . . 1.1000000000000001 109.322 -179.896 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.29 133.04 15.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.94 . . . . 1.1000000000000001 110.0 -179.544 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.77 126.55 34.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 1.3600000000000001 108.932 179.337 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.96 114.56 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.418 -0.801 . . . . 1.1699999999999999 109.868 -179.572 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.455 -0.778 . . . . 2.79 109.727 179.606 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.46 4.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.127 -1.189 . . . . 0.47999999999999998 110.127 179.412 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -84.15 -51.04 7.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -1.082 . . . . 3.2200000000000002 109.408 179.671 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.1 78.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 2.21 109.074 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.06 -45.71 90.92 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.711 -0.848 . . . . 3.5499999999999998 108.711 179.508 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.66 -52.67 64.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.277 -0.638 . . . . 0.52000000000000002 109.277 179.428 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.16 62.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 1.6799999999999999 109.842 -179.71 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.3 ttp -62.73 -50.32 71.57 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 1.1499999999999999 110.234 -179.563 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.19 -44.83 96.67 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.247 -0.908 . . . . 0.33000000000000002 109.165 -179.751 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.65 60.27 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.167 -0.958 . . . . 3.02 109.234 179.703 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.29 -52.71 63.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 1.75 109.901 -179.612 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.27 -35.7 76.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 1.0700000000000001 108.741 179.726 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.77 -57.64 12.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.471 -0.768 . . . . 1.21 109.382 179.476 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.57 -31.42 72.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.629 179.97 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.47 69.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 1.0600000000000001 110.147 -179.475 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.79 -46.43 89.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.076 -1.015 . . . . 1.0800000000000001 109.481 -179.808 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -58.54 -34.0 70.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 1.9299999999999999 109.045 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.34 -51.87 57.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.363 -0.835 . . . . 1.1399999999999999 109.147 179.828 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.2 -38.18 85.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.84 . . . . 2.1899999999999999 108.892 179.739 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.56 -36.91 67.34 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.273 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.38 -0.825 . . . . 1.3100000000000001 109.545 179.954 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.173 -0.677 . . . . 2.1099999999999999 109.173 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.79 149.03 22.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 1.01 109.774 -179.898 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -140.62 140.7 35.11 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -0.76 . . . . 0.57999999999999996 108.963 179.423 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.15 165.08 12.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.402 -0.811 . . . . 1.1599999999999999 109.242 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -150.43 132.95 15.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.977 . . . . 1.1699999999999999 110.003 -179.512 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.68 126.55 34.03 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.895 -0.78 . . . . 1.8100000000000001 108.895 179.356 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.6 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.617 -0.677 . . . . 1.1299999999999999 109.861 -179.69 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.33 -0.856 . . . . 2.8199999999999998 109.662 179.582 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.56 4.14 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.079 -1.208 . . . . 0.45000000000000001 110.079 179.366 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.31 -51.03 7.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.24 -1.153 . . . . 3.0800000000000001 109.364 179.725 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.04 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.336 -0.853 . . . . 2.54 109.114 179.839 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.02 -45.78 90.68 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.736 -0.839 . . . . 4.1100000000000003 108.736 179.437 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -56.58 -52.73 63.69 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.614 -0.679 . . . . 0.56999999999999995 109.245 179.435 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.18 62.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.436 -0.79 . . . . 1.6599999999999999 109.815 -179.633 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.2 ttp -62.69 -50.26 71.87 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.339 -0.851 . . . . 1.29 110.269 -179.574 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.21 -44.88 96.57 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.188 -0.945 . . . . 0.40000000000000002 109.165 -179.736 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.15 -41.63 60.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.156 -0.965 . . . . 3.8500000000000001 109.206 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -61.19 -52.87 62.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 1.78 109.855 -179.638 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.17 -35.75 76.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.703 179.794 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.86 -57.57 12.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.546 -0.721 . . . . 1.2 109.319 179.581 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.58 -31.44 72.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.593 -179.972 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.351 -0.843 . . . . 1.0700000000000001 110.106 -179.474 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.82 -46.45 89.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.046 -1.034 . . . . 1.1399999999999999 109.432 -179.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.37 -34.06 70.28 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.163 179.821 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.36 -51.78 58.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.345 -0.847 . . . . 1.3799999999999999 109.144 179.885 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -61.23 -38.13 85.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 2.6800000000000002 109.006 179.612 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.72 -36.74 67.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.363 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.339 -0.85 . . . . 1.3 109.632 179.824 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.119 -0.697 . . . . 1.6699999999999999 109.119 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.74 149.02 22.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.179 -0.951 . . . . 1.01 109.872 -179.947 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.56 140.72 35.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.31 -0.869 . . . . 0.63 108.932 179.475 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -98.17 165.07 12.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 1.1299999999999999 109.29 -179.939 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.35 133.05 15.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 1.1000000000000001 109.957 -179.505 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.9 126.66 34.25 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.349 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.56 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.603 -0.686 . . . . 1.1499999999999999 109.895 -179.593 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.08 154.23 35.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 2.77 109.758 179.62 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.78 138.55 4.2 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.131 -1.188 . . . . 0.42999999999999999 110.131 179.451 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.24 -51.11 7.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -1.08 . . . . 3.1200000000000001 109.384 179.628 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.21 -41.05 78.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.889 . . . . 2.2200000000000002 109.085 179.914 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.05 -45.77 90.67 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.66 -0.867 . . . . 3.5 108.66 179.47 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.63 -52.71 63.84 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.646 -0.659 . . . . 0.5 109.246 179.498 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.55 -40.23 62.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -0.772 . . . . 1.6899999999999999 109.752 -179.644 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 24.2 ttp -62.68 -50.33 71.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.35 -0.843 . . . . 1.1399999999999999 110.278 -179.525 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.14 -44.86 96.67 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.187 -0.946 . . . . 0.32000000000000001 109.179 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -51.2 -41.54 60.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.15 -0.969 . . . . 2.96 109.282 179.737 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.31 -52.78 63.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 1.75 109.843 -179.66 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.27 -35.67 76.06 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.205 -0.934 . . . . 1.0800000000000001 108.658 179.826 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.8 -57.65 12.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.432 -0.792 . . . . 1.22 109.337 179.531 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.57 -31.46 72.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 1.73 109.601 -179.999 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.55 69.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 1.0700000000000001 110.188 -179.503 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.75 -46.65 88.72 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.127 -0.983 . . . . 1.1100000000000001 109.414 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.3 -34.08 70.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.112 179.863 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.41 -51.71 58.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.36 -0.837 . . . . 1.1699999999999999 109.189 179.887 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.22 -38.15 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 2.1499999999999999 108.943 179.636 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.66 -36.75 67.42 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.616 -0.677 . . . . 1.4399999999999999 109.325 179.807 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.16 73.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 1.3 109.47 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 1.3999999999999999 109.608 -179.828 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.379 -0.601 . . . . 1.7 109.379 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.51 148.62 22.63 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 1.04 110.23 -179.751 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.5 137.15 35.26 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.64 -0.874 . . . . 0.65000000000000002 108.64 179.083 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.6 166.15 12.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.313 -179.692 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.1 tp -149.79 129.28 13.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 1.0900000000000001 109.693 -179.581 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.7 125.59 32.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.374 -0.828 . . . . 1.3700000000000001 108.943 179.73 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -124.43 115.84 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.582 -0.699 . . . . 1.1499999999999999 109.701 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -76.42 158.26 31.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 2.79 109.766 179.408 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.03 1.75 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.293 -1.123 . . . . 0.45000000000000001 110.293 179.364 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.523 HH11 ' CG ' ' A' ' 335' ' ' ARG . 0.0 OUTLIER -83.14 -47.29 11.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.358 -1.084 . . . . 3.1600000000000001 108.995 179.639 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.14 -43.5 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.369 179.854 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.412 HH22 ' CG ' ' C' ' 352' ' ' ASP . 42.7 ttm180 -62.43 -42.95 99.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.398 -0.814 . . . . 3.54 109.196 179.726 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -55.39 -50.0 70.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.525 -0.735 . . . . 0.5 109.498 179.687 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.44 -39.61 61.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 110.086 -179.632 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.05 -49.12 77.26 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 110.251 -179.282 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.64 -44.56 96.26 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.175 -0.953 . . . . 0.34000000000000002 109.25 -179.713 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.89 -42.75 59.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.913 . . . . 2.9399999999999999 109.458 179.632 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.03 -51.42 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 1.74 109.709 -179.882 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.8 -37.44 81.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 1.0700000000000001 108.952 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.52 -54.69 44.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.323 -0.86 . . . . 1.22 109.213 179.514 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -63.18 -32.92 74.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 1.72 109.687 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.05 40.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 110.093 -179.505 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 1.0800000000000001 109.556 -179.712 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -59.24 -35.77 74.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.9099999999999999 109.654 -179.91 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.24 -49.82 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.408 -179.841 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.74 -46.7 86.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 2.1400000000000001 109.101 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . 0.42 ' CG ' HH22 ' C' ' 337' ' ' ARG . 2.6 m-20 -57.7 -30.9 65.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.433 179.613 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.92 -45.68 73.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.3 110.17 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.158 -0.964 . . . . 1.4199999999999999 109.8 -179.603 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.374 -0.602 . . . . 1.6100000000000001 109.374 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -96.53 148.58 22.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.25 -0.906 . . . . 0.96999999999999997 110.234 -179.766 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.44 137.15 35.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.61 -0.885 . . . . 0.59999999999999998 108.61 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.57 166.4 12.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.329 -0.857 . . . . 1.1000000000000001 109.342 -179.728 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -150.04 129.15 12.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.665 -179.593 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.62 125.54 32.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.844 . . . . 1.3600000000000001 109.031 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -124.37 115.75 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.557 -0.714 . . . . 1.1699999999999999 109.744 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -76.43 158.28 31.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.852 . . . . 2.79 109.788 179.447 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.29 135.13 1.73 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.268 -1.133 . . . . 0.47999999999999998 110.268 179.442 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.35 11.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -1.023 . . . . 3.2200000000000002 109.024 179.631 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.19 -43.39 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 2.21 109.411 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.483 HH22 ' CG ' ' D' ' 352' ' ' ASP . 42.7 ttm180 -62.47 -42.99 99.87 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.249 -0.907 . . . . 3.5499999999999998 109.183 179.699 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.33 -50.05 70.61 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.542 -0.724 . . . . 0.52000000000000002 109.477 179.667 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.47 -39.55 61.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 1.6799999999999999 110.02 -179.617 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.09 -49.13 77.15 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.257 -0.902 . . . . 1.1499999999999999 110.234 -179.24 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.68 -44.54 96.37 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.33000000000000002 109.265 -179.706 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.84 -42.84 58.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.923 . . . . 3.02 109.442 179.601 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.29 69.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.939 . . . . 1.75 109.688 -179.821 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.87 -37.43 82.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 108.948 179.867 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.57 -54.61 45.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 1.21 109.264 179.498 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.23 -32.9 74.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -0.86 . . . . 1.6899999999999999 109.647 179.866 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -55.05 40.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 1.0600000000000001 110.142 -179.505 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.09 -43.87 98.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 1.0800000000000001 109.598 -179.765 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.18 -35.8 74.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 109.613 -179.844 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.24 -49.82 70.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 109.4 -179.872 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.78 -46.61 87.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.375 -0.828 . . . . 2.1899999999999999 109.06 -179.938 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.452 ' CG ' HH22 ' D' ' 337' ' ' ARG . 2.6 m-20 -57.83 -30.83 66.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.523 -0.736 . . . . 1.4299999999999999 109.437 179.635 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.3100000000000001 110.16 -179.655 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.366 -0.605 . . . . 2.1099999999999999 109.366 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.49 148.6 22.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.216 -0.928 . . . . 1.01 110.25 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.54 137.02 35.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.672 -0.862 . . . . 0.57999999999999996 108.672 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.5 166.15 12.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.311 -0.868 . . . . 1.1599999999999999 109.409 -179.697 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.92 129.28 12.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.1699999999999999 109.582 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.64 125.56 32.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.8100000000000001 108.968 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -124.45 115.8 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.629 -0.67 . . . . 1.1299999999999999 109.683 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -76.41 158.18 31.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.8199999999999998 109.834 179.371 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 135.1 1.82 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.21 -1.156 . . . . 0.45000000000000001 110.21 179.37 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.532 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.0 OUTLIER -83.09 -47.39 11.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -1.093 . . . . 3.0800000000000001 109.014 179.557 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.12 -43.44 91.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 2.54 109.44 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.42 HH22 ' CG ' ' A' ' 352' ' ' ASP . 42.7 ttm180 -62.48 -42.96 99.85 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.351 -0.843 . . . . 4.1100000000000003 109.172 179.728 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.36 -50.03 70.72 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.509 -0.744 . . . . 0.56999999999999995 109.472 179.657 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.42 -39.56 61.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 1.6599999999999999 110.058 -179.598 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.06 -49.1 77.31 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.184 -0.948 . . . . 1.29 110.304 -179.216 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.74 -44.56 96.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.235 -0.916 . . . . 0.40000000000000002 109.194 -179.691 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.77 -42.8 58.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 3.8500000000000001 109.502 179.598 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.33 69.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 1.78 109.76 -179.893 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -60.77 -37.62 82.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 1.1699999999999999 108.915 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.39 -54.74 43.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.375 -0.828 . . . . 1.2 109.242 179.536 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.2 -32.8 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.389 -0.82 . . . . 2.1200000000000001 109.685 179.904 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.71 -54.88 42.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 1.0700000000000001 110.08 -179.421 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 109.526 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.13 -35.79 74.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 2.0899999999999999 109.653 -179.914 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.28 -49.68 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.172 -0.955 . . . . 1.3799999999999999 109.512 -179.873 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.86 -46.6 87.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 109.061 179.955 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.412 ' CG ' HH22 ' A' ' 337' ' ' ARG . 2.6 m-20 -57.76 -30.85 65.94 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.471 -0.768 . . . . 1.3400000000000001 109.379 179.602 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 1.3 110.09 -179.591 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.417 -0.586 . . . . 1.6699999999999999 109.417 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.39 148.59 22.63 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.284 -0.885 . . . . 1.01 110.232 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.6 137.0 34.97 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.678 -0.86 . . . . 0.63 108.678 179.088 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.32 166.26 12.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.291 -0.881 . . . . 1.1299999999999999 109.425 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.95 129.18 12.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 1.1000000000000001 109.705 -179.627 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.65 125.64 32.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.419 -0.8 . . . . 1.3700000000000001 108.981 179.723 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.4 115.86 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.521 -0.737 . . . . 1.1499999999999999 109.733 -179.548 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 158.22 31.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.32 -0.862 . . . . 2.77 109.796 179.375 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.11 1.77 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.258 -1.137 . . . . 0.42999999999999999 110.258 179.373 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.525 HH11 ' HG2' ' D' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.39 11.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.427 -1.043 . . . . 3.1200000000000001 108.993 179.621 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.13 -43.35 91.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 2.2200000000000002 109.407 179.871 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.452 HH22 ' CG ' ' B' ' 352' ' ' ASP . 42.7 ttm180 -62.54 -42.91 99.84 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.284 -0.885 . . . . 3.5 109.153 179.757 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.37 -50.02 70.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.524 -0.735 . . . . 0.5 109.497 179.694 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.41 -39.66 61.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 110.051 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.07 -49.11 77.28 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.157 -0.964 . . . . 1.1399999999999999 110.233 -179.209 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.208 -0.932 . . . . 0.32000000000000001 109.181 -179.65 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.76 -42.83 58.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 2.96 109.475 179.624 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.98 -51.4 69.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 1.75 109.712 -179.842 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.74 -37.55 82.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.113 -0.992 . . . . 1.0800000000000001 108.972 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.48 -54.65 44.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.396 -0.815 . . . . 1.22 109.222 179.546 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.21 -32.96 74.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.73 109.71 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -55.01 40.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 110.103 -179.481 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.14 -43.68 98.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 1.1100000000000001 109.579 -179.748 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.32 -35.77 74.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -0.936 . . . . 1.9099999999999999 109.563 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.9 tp -64.22 -49.85 70.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.138 -0.976 . . . . 1.1699999999999999 109.427 -179.87 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.73 -46.71 86.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 2.1499999999999999 109.05 179.995 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.483 ' CG ' HH22 ' B' ' 337' ' ' ARG . 2.6 m-20 -57.73 -30.82 65.86 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 109.445 179.667 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.62 73.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 1.3 110.129 -179.594 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 1.3999999999999999 109.705 -179.522 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.25 0.548 . . . . 1.7 109.612 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 30.5 m-85 -95.13 151.12 19.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.269 -0.895 . . . . 1.04 109.471 179.802 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -141.32 138.57 33.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.2 -0.937 . . . . 0.65000000000000002 109.325 179.621 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.3 165.79 11.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.45 -0.781 . . . . 1.1399999999999999 109.069 179.817 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.3 tp -149.54 133.55 17.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.081 -1.012 . . . . 1.0900000000000001 109.885 -179.601 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.543 ' NE2' ' N ' ' A' ' 332' ' ' ILE . 1.4 tm0? -84.47 126.85 33.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 108.734 179.558 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.543 ' N ' ' NE2' ' A' ' 331' ' ' GLN . 41.7 mt -124.17 110.03 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 CA-C-O 121.575 0.702 . . . . 1.1499999999999999 109.755 -179.565 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.73 148.97 38.15 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.608 -0.683 . . . . 2.79 109.412 179.44 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.39 132.52 5.52 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.214 -1.154 . . . . 0.45000000000000001 110.214 179.544 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.12 -43.09 16.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -1.092 . . . . 3.1600000000000001 109.172 179.587 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.51 -46.86 87.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.348 -0.845 . . . . 2.2200000000000002 109.637 -179.919 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.457 ' NH1' ' HG3' ' A' ' 337' ' ' ARG . 16.6 ttm-85 -63.32 -40.42 97.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.265 -0.897 . . . . 3.54 109.803 -179.614 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.6 -54.19 24.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.5 109.449 179.973 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -52.73 -37.07 58.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.192 -0.942 . . . . 1.6599999999999999 109.802 179.928 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.5 -51.78 64.08 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.3 -0.875 . . . . 1.1499999999999999 110.419 -179.453 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.04 -43.95 94.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.09 -1.007 . . . . 0.34000000000000002 109.115 -179.86 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.82 -43.31 58.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.234 -0.916 . . . . 2.9399999999999999 109.348 179.703 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.16 -51.11 71.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 1.74 109.765 -179.729 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.28 -39.06 85.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.125 -0.984 . . . . 1.0700000000000001 108.694 179.685 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.19 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.526 -0.734 . . . . 1.22 109.67 179.725 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.39 -34.87 78.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 1.72 110.096 -179.62 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.2 38.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 110.159 -179.485 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.94 -38.94 87.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.296 -0.877 . . . . 1.0800000000000001 109.623 -179.613 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.95 -39.68 86.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.098 -1.001 . . . . 1.9099999999999999 108.743 179.226 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.35 -47.34 79.68 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.608 -0.886 . . . . 1.1499999999999999 108.608 179.528 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.49 -45.66 91.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 122.03 0.919 . . . . 2.1400000000000001 108.91 179.423 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.02 -31.13 60.83 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.224 0.535 . . . . 1.4299999999999999 109.726 -179.786 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.51 85.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 1.3 109.497 -179.964 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.4199999999999999 109.715 -179.924 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.233 0.54 . . . . 1.6100000000000001 109.61 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 30.3 m-85 -95.17 151.06 19.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.266 -0.896 . . . . 0.96999999999999997 109.416 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.32 138.56 33.21 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.59999999999999998 109.32 179.517 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.22 165.83 11.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 1.1000000000000001 109.105 179.791 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.56 133.61 17.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.068 -1.02 . . . . 1.1000000000000001 109.882 -179.701 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.545 ' NE2' ' N ' ' B' ' 332' ' ' ILE . 1.4 tm0? -84.48 126.94 33.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 108.767 179.495 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.545 ' N ' ' NE2' ' B' ' 331' ' ' GLN . 41.6 mt -124.21 110.09 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 CA-C-O 121.639 0.733 . . . . 1.1699999999999999 109.733 -179.521 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.77 148.92 38.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 2.79 109.377 179.434 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.153 -1.179 . . . . 0.47999999999999998 110.153 179.462 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.14 -43.1 16.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -1.099 . . . . 3.2200000000000002 109.129 179.585 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.52 -46.94 87.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.265 -0.897 . . . . 2.21 109.598 -179.88 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.461 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 16.7 ttm-85 -63.29 -40.43 97.35 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.254 -0.904 . . . . 3.5499999999999998 109.798 -179.516 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.55 -54.26 23.9 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.316 -0.865 . . . . 0.52000000000000002 109.395 179.979 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.83 -36.95 59.43 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 1.6799999999999999 109.727 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.52 -51.93 63.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.296 -0.878 . . . . 1.1499999999999999 110.366 -179.472 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.86 -44.03 94.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.33000000000000002 109.134 -179.835 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.79 -43.32 58.64 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.292 -0.88 . . . . 3.02 109.39 179.732 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.09 -51.19 70.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 1.75 109.731 -179.758 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.28 -39.03 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.147 -0.97 . . . . 1.0700000000000001 108.703 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.22 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.772 . . . . 1.21 109.684 179.751 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.31 -34.98 78.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 110.061 -179.653 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.35 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 1.0600000000000001 110.175 -179.509 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -60.85 -39.04 87.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 109.599 -179.559 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -59.98 -39.58 86.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.043 -1.036 . . . . 1.9299999999999999 108.763 179.214 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.36 -47.17 80.33 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.58 -0.896 . . . . 1.1399999999999999 108.58 179.518 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.74 -45.79 91.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.321 -0.862 . . . . 2.1899999999999999 108.833 179.46 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.97 -31.02 60.4 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 116.126 -0.488 . . . . 1.4299999999999999 109.722 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.862 . . . . 1.3100000000000001 109.451 -179.939 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.338 0.589 . . . . 2.1099999999999999 109.571 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 31.3 m-85 -95.11 151.09 19.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.252 -0.905 . . . . 1.01 109.489 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -141.3 138.59 33.28 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.205 -0.934 . . . . 0.57999999999999996 109.326 179.601 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.32 165.8 11.85 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.504 -0.747 . . . . 1.1599999999999999 109.067 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.6 tp -149.55 133.58 17.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 1.1699999999999999 109.864 -179.646 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.532 ' NE2' ' N ' ' C' ' 332' ' ' ILE . 1.4 tm0? -84.43 126.84 33.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 1.8100000000000001 108.822 179.502 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.532 ' N ' ' NE2' ' C' ' 331' ' ' GLN . 41.4 mt -124.13 110.13 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.524 -0.735 . . . . 1.1299999999999999 109.725 -179.515 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -75.89 148.95 37.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.622 -0.673 . . . . 2.8199999999999998 109.424 179.427 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.43 132.64 5.57 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.172 -1.171 . . . . 0.45000000000000001 110.172 179.595 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.22 -43.04 16.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.126 . . . . 3.0800000000000001 109.179 179.529 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.318 -0.864 . . . . 2.54 109.614 -179.93 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.449 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 16.5 ttm-85 -63.3 -40.45 97.38 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.244 -0.91 . . . . 4.1100000000000003 109.808 -179.608 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -50.55 -54.26 23.86 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.217 -0.927 . . . . 0.56999999999999995 109.397 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -52.81 -36.98 59.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 1.6599999999999999 109.726 -179.998 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.59 -51.77 63.86 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.286 -0.883 . . . . 1.29 110.357 -179.421 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.03 -43.87 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.072 -1.018 . . . . 0.40000000000000002 109.181 -179.834 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.93 -43.23 60.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 3.8500000000000001 109.351 179.695 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.13 -51.15 70.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.416 -0.803 . . . . 1.78 109.775 -179.771 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.31 -39.06 85.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 1.1699999999999999 108.718 179.692 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.1 -55.39 35.71 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.535 -0.728 . . . . 1.2 109.68 179.67 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.28 -35.03 79.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.373 -0.83 . . . . 2.1200000000000001 110.081 -179.614 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -55.27 37.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 110.19 -179.465 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.95 -38.98 87.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.306 -0.871 . . . . 1.1399999999999999 109.557 -179.596 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.9 -39.69 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 108.716 179.211 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.42 -47.03 80.68 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.591 -0.892 . . . . 1.3799999999999999 108.591 179.612 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.81 -45.76 91.33 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.849 0.833 . . . . 2.6800000000000002 108.862 179.362 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.86 -31.08 59.24 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.241 0.543 . . . . 1.3400000000000001 109.807 -179.885 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.302 -0.873 . . . . 1.3 109.451 -179.905 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.283 0.563 . . . . 1.6699999999999999 109.591 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 31.3 m-85 -95.22 151.08 19.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 1.01 109.366 179.877 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.34 138.57 33.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.158 -0.964 . . . . 0.63 109.367 179.522 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.24 165.83 11.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.494 -0.754 . . . . 1.1299999999999999 109.105 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.54 133.57 17.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.015 -1.053 . . . . 1.1000000000000001 109.889 -179.635 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' D' ' 332' ' ' ILE . 1.4 tm0? -84.51 126.91 33.72 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.344 -0.847 . . . . 1.3700000000000001 108.778 179.525 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.544 ' N ' ' NE2' ' D' ' 331' ' ' GLN . 41.6 mt -124.18 110.09 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.568 -0.707 . . . . 1.1499999999999999 109.777 -179.535 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.83 148.97 37.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.601 -0.687 . . . . 2.77 109.405 179.477 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.181 -1.168 . . . . 0.42999999999999999 110.181 179.561 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.19 -43.13 16.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -1.066 . . . . 3.1200000000000001 109.147 179.58 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.45 -46.95 87.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.646 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.462 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 16.7 ttm-85 -63.34 -40.33 97.0 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 3.5 109.795 -179.542 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -50.57 -54.28 23.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.3 -0.875 . . . . 0.5 109.386 179.982 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -52.73 -37.03 58.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.6899999999999999 109.781 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.56 -51.84 63.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.249 -0.907 . . . . 1.1399999999999999 110.388 -179.4 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.87 -43.99 94.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.122 -0.986 . . . . 0.32000000000000001 109.169 -179.922 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.9 -43.3 59.75 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.19 -0.944 . . . . 2.96 109.351 179.785 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.08 -51.17 70.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 1.75 109.754 -179.798 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.31 -39.09 85.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.146 -0.971 . . . . 1.0800000000000001 108.652 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.13 -55.33 36.36 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.515 -0.74 . . . . 1.22 109.657 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -0.808 . . . . 1.73 110.06 -179.638 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -55.3 36.84 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 110.168 -179.466 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.88 -38.98 87.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.1100000000000001 109.625 -179.582 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -60.05 -39.55 86.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.9099999999999999 108.743 179.233 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.53 -47.23 79.59 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.558 -0.904 . . . . 1.1699999999999999 108.558 179.535 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.62 -45.61 91.45 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.953 0.883 . . . . 2.1499999999999999 108.789 179.498 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.09 -31.02 60.88 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.154 0.502 . . . . 1.4399999999999999 109.695 -179.78 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 1.3 109.525 179.961 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.324 -0.86 . . . . 1.3999999999999999 109.74 -179.954 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.274 0.559 . . . . 1.7 109.525 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 37.0 m-85 -95.15 148.7 22.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.187 -0.946 . . . . 1.04 109.72 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.82 137.72 33.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 109.091 179.355 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.64 162.94 13.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.387 -0.82 . . . . 1.1399999999999999 108.905 179.832 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -149.13 132.08 16.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.089 -1.007 . . . . 1.0900000000000001 109.922 -179.364 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -84.18 125.51 32.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.975 179.436 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.97 116.3 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.599 -0.688 . . . . 1.1499999999999999 109.492 -179.663 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.51 34.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.932 . . . . 2.79 109.922 179.902 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.73 137.67 2.42 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.518 -1.033 . . . . 0.45000000000000001 110.518 179.187 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -83.08 -46.38 12.87 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.372 -1.075 . . . . 3.1600000000000001 109.196 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.88 -45.7 85.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.135 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.24 -43.92 98.09 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.334 -0.854 . . . . 3.54 109.109 179.69 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.25 -58.45 7.65 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.643 -0.661 . . . . 0.5 109.423 179.891 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.53 -35.48 40.81 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.277 -0.89 . . . . 1.6599999999999999 109.653 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.8 ttp -64.2 -53.71 45.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 110.163 -179.561 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -43.29 99.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.34000000000000002 108.998 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.54 -42.06 61.53 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.261 -0.899 . . . . 2.9399999999999999 109.328 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -60.68 -46.1 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 1.74 109.702 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.12 -45.02 96.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 109.279 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.76 75.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 1.22 109.247 179.769 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.2 -36.95 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 1.72 109.427 179.904 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.6 73.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.857 . . . . 1.0700000000000001 109.678 -179.791 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.74 -43.02 99.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.428 -179.953 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.73 -39.48 80.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.907 . . . . 1.9099999999999999 109.196 179.789 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.65 -42.38 98.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.523 -0.917 . . . . 1.1499999999999999 108.523 179.652 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -58.71 -52.14 66.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.1400000000000001 108.54 179.378 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.55 -29.1 64.11 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.837 -0.539 . . . . 1.4299999999999999 109.574 179.853 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.71 71.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 1.3 109.405 -179.747 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.864 . . . . 1.4199999999999999 109.538 179.718 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.485 -0.561 . . . . 1.6100000000000001 109.485 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 37.5 m-85 -95.19 148.68 22.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.22 -0.925 . . . . 0.96999999999999997 109.762 179.957 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.77 137.67 33.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.35 -0.844 . . . . 0.59999999999999998 109.092 179.4 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.61 162.86 13.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.383 -0.823 . . . . 1.1000000000000001 108.997 179.756 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 45.7 tp -149.09 132.12 16.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 1.1000000000000001 109.909 -179.338 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.27 125.58 32.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.395 -0.815 . . . . 1.3600000000000001 108.96 179.477 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.93 116.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.584 -0.698 . . . . 1.1699999999999999 109.545 -179.622 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -76.42 155.37 34.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.229 -0.919 . . . . 2.79 109.997 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.81 137.75 2.48 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.493 -1.043 . . . . 0.47999999999999998 110.493 179.238 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.19 -46.34 12.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -1.095 . . . . 3.2200000000000002 109.181 179.508 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 -45.8 85.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.291 -0.88 . . . . 2.21 109.127 179.844 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -61.16 -43.94 98.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.289 -0.882 . . . . 3.5499999999999998 109.131 179.705 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.24 -58.51 7.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.552 -0.718 . . . . 0.52000000000000002 109.415 179.889 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.37 -35.57 39.26 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.338 -0.851 . . . . 1.6799999999999999 109.63 -179.743 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.2 -53.8 43.56 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.051 -179.423 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.28 -43.35 99.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 0.33000000000000002 109.036 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.45 -42.12 61.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.874 . . . . 3.02 109.388 179.634 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 15.8 tp10 -60.65 -46.16 91.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.75 109.708 -179.912 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.07 -44.98 96.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.302 -0.874 . . . . 1.0700000000000001 109.356 -179.986 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.48 -49.85 74.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.207 -0.933 . . . . 1.21 109.181 179.741 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.06 -36.94 83.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 109.521 179.884 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.7 -50.53 73.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.361 -0.837 . . . . 1.0600000000000001 109.713 -179.786 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.69 -43.11 99.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.895 . . . . 1.0800000000000001 109.43 -179.995 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.62 -39.54 80.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.162 179.759 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.54 -42.3 98.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.484 -0.932 . . . . 1.1399999999999999 108.484 179.666 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -52.24 66.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 2.1899999999999999 108.598 179.359 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.51 -29.07 64.01 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.186 0.517 . . . . 1.4299999999999999 109.617 179.786 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 1.3100000000000001 109.477 -179.745 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.288 0.566 . . . . 2.1099999999999999 109.546 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.4 m-85 -95.18 148.64 22.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.198 -0.939 . . . . 1.01 109.792 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.74 137.67 33.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.57999999999999996 109.105 179.412 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.9 p -96.62 162.74 13.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.391 -0.818 . . . . 1.1599999999999999 108.963 179.814 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -148.91 132.23 16.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.048 -1.032 . . . . 1.1699999999999999 109.923 -179.324 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.36 125.58 32.43 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.899 -0.778 . . . . 1.8100000000000001 108.899 179.507 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -123.91 116.31 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.597 -0.69 . . . . 1.1299999999999999 109.539 -179.675 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.51 155.49 33.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.219 -0.926 . . . . 2.8199999999999998 109.896 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.82 137.66 2.46 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.446 -1.062 . . . . 0.45000000000000001 110.446 179.164 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.17 -46.31 12.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.408 -1.054 . . . . 3.0800000000000001 109.226 179.528 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.8 -45.7 85.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.909 . . . . 2.54 109.187 179.755 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.25 -44.01 97.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 4.1100000000000003 109.091 179.721 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.22 -58.43 7.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.586 -0.696 . . . . 0.56999999999999995 109.425 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.43 -35.58 40.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.848 . . . . 1.6599999999999999 109.607 -179.742 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.17 -53.8 43.65 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -0.958 . . . . 1.29 110.057 -179.463 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.35 -43.28 99.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.976 . . . . 0.40000000000000002 108.985 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.59 -42.01 61.6 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.292 -0.88 . . . . 3.8500000000000001 109.386 179.692 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.502 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 15.6 tp10 -60.65 -46.19 91.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.29 -0.881 . . . . 1.78 109.641 -179.965 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.16 -45.04 96.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 1.1699999999999999 109.26 -179.876 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.81 75.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 1.2 109.184 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.04 -37.02 83.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.52 179.886 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.5 73.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 1.0700000000000001 109.731 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.79 -43.03 99.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 109.361 -179.954 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.67 -39.47 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.228 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.52 -42.33 98.45 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.486 -0.931 . . . . 1.3799999999999999 108.486 179.629 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -52.27 66.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 2.6800000000000002 108.598 179.366 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.46 -29.08 63.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.856 -0.528 . . . . 1.3400000000000001 109.619 179.781 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.3 109.406 -179.695 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.26 0.552 . . . . 1.6699999999999999 109.554 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 37.4 m-85 -95.24 148.63 22.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.891 . . . . 1.01 109.811 179.947 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.77 137.63 33.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.34 -0.85 . . . . 0.63 109.097 179.445 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 47.1 p -96.53 162.82 13.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.363 -0.835 . . . . 1.1299999999999999 108.922 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 45.6 tp -148.99 132.23 16.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.048 -1.032 . . . . 1.1000000000000001 109.927 -179.396 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.33 125.61 32.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.893 179.497 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.04 116.24 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.527 -0.733 . . . . 1.1499999999999999 109.512 -179.645 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.46 34.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 2.77 109.913 179.919 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.76 137.66 2.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.476 -1.05 . . . . 0.42999999999999999 110.476 179.135 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.05 -46.34 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -1.075 . . . . 3.1200000000000001 109.232 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.84 -45.73 85.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.138 179.841 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.397 -0.815 . . . . 3.5 109.099 179.758 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.17 -58.42 7.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.504 -0.748 . . . . 0.5 109.467 179.876 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.56 -35.5 41.29 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.355 -0.841 . . . . 1.6899999999999999 109.621 -179.737 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.14 -53.84 43.16 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.287 -0.883 . . . . 1.1399999999999999 110.093 -179.514 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.29 -43.28 99.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.32000000000000001 109.055 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.49 -42.07 61.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 2.96 109.426 179.653 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -60.69 -46.17 91.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 1.75 109.634 -179.906 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.8 mt -61.09 -44.99 96.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.234 -0.917 . . . . 1.0800000000000001 109.302 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -57.53 -49.74 75.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.166 -0.959 . . . . 1.22 109.179 179.794 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.1 -36.92 83.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.905 . . . . 1.73 109.517 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.52 73.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 109.695 -179.733 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.76 -43.05 99.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.886 . . . . 1.1100000000000001 109.358 -179.971 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.74 -39.45 80.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.168 179.849 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.69 -42.3 98.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 1.1699999999999999 108.527 179.659 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.502 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -58.83 -51.99 67.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.018 -1.051 . . . . 2.1499999999999999 108.605 179.403 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.6 -29.14 64.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.27 0.557 . . . . 1.4399999999999999 109.615 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.66 71.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.195 -0.941 . . . . 1.3 109.384 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 1.3999999999999999 109.491 179.763 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.261 0.553 . . . . 1.7 109.796 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.23 156.43 16.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.303 -0.873 . . . . 1.04 109.254 179.665 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.33 -170.08 2.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.36 -0.837 . . . . 0.65000000000000002 109.23 179.624 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.2 p -153.51 147.11 25.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.151 -0.968 . . . . 1.1399999999999999 109.129 -179.961 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.2 136.72 33.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.438 -0.789 . . . . 1.0900000000000001 109.804 -179.048 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.67 33.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.701 -0.625 . . . . 1.3700000000000001 109.345 179.185 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -123.35 116.5 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.656 -0.868 . . . . 1.1499999999999999 108.656 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -73.75 152.8 40.25 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.32 -0.863 . . . . 2.79 109.918 -179.577 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.46 141.07 2.67 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.095 -1.202 . . . . 0.45000000000000001 110.095 179.392 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.4 -48.62 11.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.378 -1.072 . . . . 3.1600000000000001 109.281 179.688 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.84 -37.56 74.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 109.047 179.841 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.96 -42.98 99.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.218 -0.926 . . . . 3.54 108.844 179.362 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.1 -56.05 25.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.552 -0.717 . . . . 0.5 109.6 179.697 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.89 -38.46 56.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.863 . . . . 1.6599999999999999 109.756 -179.768 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.76 -53.07 59.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 110.087 -179.418 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.24 -45.79 93.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.147 -0.971 . . . . 0.34000000000000002 108.958 -179.934 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.32 -41.87 60.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.295 -0.878 . . . . 2.9399999999999999 109.352 179.788 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.96 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 1.74 109.848 -179.597 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.09 -40.4 93.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.207 -0.933 . . . . 1.0700000000000001 108.833 179.833 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.03 -53.73 55.07 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 1.22 109.432 179.488 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.17 -34.05 75.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.375 -0.828 . . . . 1.72 109.382 179.993 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.38 80.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.214 -179.985 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.51 -46.39 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.383 -0.823 . . . . 1.0800000000000001 109.353 179.588 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.1 -35.78 74.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.53 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.51 -51.7 61.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 1.1499999999999999 109.569 -179.801 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.79 -43.93 97.52 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.433 -0.792 . . . . 2.1400000000000001 109.063 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.59 -33.43 66.21 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.68 179.885 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -51.29 52.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 1.3 109.815 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 1.4199999999999999 109.782 -179.77 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.205 0.526 . . . . 1.6100000000000001 109.749 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.14 156.47 16.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.328 -0.857 . . . . 0.96999999999999997 109.323 179.569 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.33 -170.1 2.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.413 -0.804 . . . . 0.59999999999999998 109.218 179.609 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.6 p -153.57 147.04 24.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.301 -0.874 . . . . 1.1000000000000001 109.136 -179.868 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.24 136.73 33.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 1.1000000000000001 109.751 -179.037 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.79 33.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.634 -0.666 . . . . 1.3600000000000001 109.287 179.197 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.42 116.5 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 108.672 -0.862 . . . . 1.1699999999999999 108.672 179.469 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.75 152.78 40.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.383 -0.823 . . . . 2.79 109.94 -179.581 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.52 141.04 2.69 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.134 -1.186 . . . . 0.47999999999999998 110.134 179.423 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -81.36 -48.62 11.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -1.057 . . . . 3.2200000000000002 109.257 179.712 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.81 -37.57 74.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.21 109.115 179.837 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -62.0 -42.92 99.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.203 -0.935 . . . . 3.5499999999999998 108.835 179.45 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.08 -56.03 25.79 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.606 -0.684 . . . . 0.52000000000000002 109.622 179.659 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.81 -38.43 55.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.786 . . . . 1.6799999999999999 109.869 -179.847 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.82 -53.07 59.97 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.174 -0.954 . . . . 1.1499999999999999 110.081 -179.439 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.27 -45.83 92.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.204 -0.935 . . . . 0.33000000000000002 108.949 -179.917 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.26 -41.84 60.67 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.279 -0.888 . . . . 3.02 109.47 179.731 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.94 -53.48 57.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.213 -0.93 . . . . 1.75 109.919 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.1 -40.42 93.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 108.848 179.746 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.05 -53.74 54.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.401 -0.812 . . . . 1.21 109.412 179.534 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -61.97 -34.3 75.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 1.6899999999999999 109.423 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.32 80.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 1.0600000000000001 109.231 -179.938 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.69 -46.16 89.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.358 -0.839 . . . . 1.0800000000000001 109.37 179.623 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.24 -35.77 74.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.9299999999999999 109.574 179.939 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.5 -51.75 61.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.498 -179.81 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.75 -43.95 97.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.325 -0.859 . . . . 2.1899999999999999 109.061 -179.951 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.62 -33.28 66.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.726 179.881 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.766 -179.681 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.199 0.523 . . . . 2.1099999999999999 109.746 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.2 156.49 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.266 -0.896 . . . . 1.01 109.324 179.566 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.43 -170.07 2.66 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.451 -0.78 . . . . 0.57999999999999996 109.202 179.634 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.8 p -153.56 147.15 25.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -0.885 . . . . 1.1599999999999999 109.139 -179.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.4 136.67 33.33 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.406 -0.809 . . . . 1.1699999999999999 109.736 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.07 132.64 34.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.7 -0.625 . . . . 1.8100000000000001 109.45 179.133 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.4 116.51 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 N-CA-C 108.672 -0.862 . . . . 1.1299999999999999 108.672 179.493 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.77 152.78 40.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.391 -0.818 . . . . 2.8199999999999998 109.954 -179.579 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.03 2.68 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.091 -1.204 . . . . 0.45000000000000001 110.091 179.361 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -81.42 -48.49 11.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.308 -1.113 . . . . 3.0800000000000001 109.281 179.735 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -37.5 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 2.54 109.121 179.831 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.225 -0.922 . . . . 4.1100000000000003 108.88 179.381 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -56.11 -56.02 25.98 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.526 -0.734 . . . . 0.56999999999999995 109.629 179.616 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -51.79 -38.53 55.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.785 -179.869 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.84 -53.01 60.82 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.202 -0.936 . . . . 1.29 110.084 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.26 -45.83 92.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.121 -0.987 . . . . 0.40000000000000002 108.952 -179.996 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -51.3 -41.92 60.8 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.24 -0.912 . . . . 3.8500000000000001 109.389 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.91 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.78 109.827 -179.567 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.117 -0.989 . . . . 1.1699999999999999 108.855 179.791 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.0 -53.75 54.88 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.486 -0.758 . . . . 1.2 109.393 179.495 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.1 -34.28 76.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.454 -0.779 . . . . 2.1200000000000001 109.394 -179.954 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.23 80.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.833 . . . . 1.0700000000000001 109.25 -179.926 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.66 -46.35 88.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.367 -0.833 . . . . 1.1399999999999999 109.389 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.12 -35.7 73.92 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.361 -0.837 . . . . 2.0899999999999999 109.538 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.56 -51.59 62.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.847 . . . . 1.3799999999999999 109.54 -179.748 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.86 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.286 -0.884 . . . . 2.6800000000000002 109.034 -179.96 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.65 -33.32 66.22 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.525 -0.735 . . . . 1.3400000000000001 109.664 179.898 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 1.3 109.839 -179.67 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.26 0.552 . . . . 1.6699999999999999 109.707 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.11 156.56 16.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.286 -0.884 . . . . 1.01 109.326 179.618 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.53 -170.15 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.368 -0.832 . . . . 0.63 109.221 179.686 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.4 p -153.54 147.09 25.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.236 -0.915 . . . . 1.1299999999999999 109.167 -179.855 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.3 136.69 33.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.508 -0.745 . . . . 1.1000000000000001 109.83 -179.057 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.75 33.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.695 -0.628 . . . . 1.3700000000000001 109.343 179.199 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.36 116.5 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 108.652 -0.87 . . . . 1.1499999999999999 108.652 179.528 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.83 152.78 40.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.481 -0.762 . . . . 2.77 109.896 -179.544 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.12 2.7 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.06 -1.216 . . . . 0.42999999999999999 110.06 179.412 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.52 -48.43 11.84 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -1.078 . . . . 3.1200000000000001 109.357 179.678 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.93 -37.56 74.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 109.027 179.793 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.226 -0.922 . . . . 3.5 108.872 179.385 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.04 -55.95 26.66 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.551 -0.718 . . . . 0.5 109.699 179.645 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.9 -38.42 56.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.524 -0.735 . . . . 1.6899999999999999 109.802 -179.864 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.91 -52.95 61.09 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.207 -0.933 . . . . 1.1399999999999999 110.093 -179.361 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 108.993 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.34 -41.82 60.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.313 -0.867 . . . . 2.96 109.424 179.807 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.94 -53.55 56.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.229 -0.92 . . . . 1.75 109.884 -179.636 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.0 -40.47 93.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.162 -0.962 . . . . 1.0800000000000001 108.813 179.761 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.99 -53.82 54.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.499 -0.75 . . . . 1.22 109.379 179.592 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.07 -34.13 75.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 1.73 109.419 -179.977 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.23 -48.27 80.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.238 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -46.5 88.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 1.1100000000000001 109.361 179.537 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.99 -35.76 73.76 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.321 -0.862 . . . . 1.9099999999999999 109.528 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.57 -51.61 61.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 1.1699999999999999 109.509 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.331 -0.856 . . . . 2.1499999999999999 109.054 -179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -56.67 -33.3 66.25 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.522 -0.736 . . . . 1.4399999999999999 109.726 179.866 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.21 52.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 1.3 109.78 -179.661 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 1.3999999999999999 109.732 -179.802 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.248 0.547 . . . . 1.7 109.674 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.287 -0.883 . . . . 1.04 109.594 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -138.99 139.65 37.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.352 -0.843 . . . . 0.65000000000000002 108.836 179.462 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.7 p -93.77 164.79 12.99 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 1.1399999999999999 109.164 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.65 14.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.156 -0.965 . . . . 1.0900000000000001 110.104 -179.243 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.15 127.25 33.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.3700000000000001 108.864 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.43 117.25 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 121.563 -0.711 . . . . 1.1499999999999999 109.76 -179.514 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -76.88 154.38 33.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 2.79 109.62 179.474 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.37 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.336 -1.106 . . . . 0.45000000000000001 110.336 179.154 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.28 -47.4 11.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -1.091 . . . . 3.1600000000000001 109.398 179.639 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.74 -42.38 93.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.958 . . . . 2.2200000000000002 109.418 179.9 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.51 -41.89 97.97 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.376 -0.828 . . . . 3.54 109.554 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.04 -55.75 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.695 . . . . 0.5 109.791 -179.884 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.02 -38.06 49.04 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.958 -179.661 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -52.6 59.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 110.695 -179.152 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.72 -43.56 97.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.34000000000000002 109.279 -179.519 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.47 -43.65 62.19 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.201 -0.937 . . . . 2.9399999999999999 109.567 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.92 -46.36 91.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 1.74 109.971 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.7 mt -61.19 -42.56 98.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.373 -179.755 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.58 -50.64 73.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.19 -0.944 . . . . 1.22 109.594 179.97 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.34 -34.88 78.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.89 . . . . 1.72 109.865 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.49 -50.43 73.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 110.073 -179.604 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.51 -43.75 98.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 1.0800000000000001 109.67 -179.719 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.55 -34.66 72.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.117 -0.989 . . . . 1.9099999999999999 109.433 179.938 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.71 -51.2 63.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 1.1499999999999999 109.314 -179.883 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.03 -42.42 94.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.895 . . . . 2.1400000000000001 109.035 179.843 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.36 -46.05 80.17 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.504 -0.748 . . . . 1.4299999999999999 109.12 179.587 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.11 65.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 1.3 109.193 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.876 . . . . 1.4199999999999999 109.585 179.993 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.416 ' CD ' HH21 ' D' ' 335' ' ' ARG . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.326 0.584 . . . . 1.6100000000000001 109.699 . . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -97.85 152.94 18.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.22 -0.925 . . . . 0.96999999999999997 109.625 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -138.88 139.74 38.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.283 -0.885 . . . . 0.59999999999999998 108.831 179.447 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.4 p -93.9 164.8 12.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.339 -0.851 . . . . 1.1000000000000001 109.176 -179.783 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.72 14.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 1.1000000000000001 110.129 -179.201 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.2 33.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.854 -0.795 . . . . 1.3600000000000001 108.854 179.528 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.41 117.12 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.491 -0.756 . . . . 1.1699999999999999 109.829 -179.465 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' B' ' 333' ' ' ARG . 19.3 ttt-85 -76.66 154.38 34.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 2.79 109.607 179.508 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.94 137.24 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.386 -1.086 . . . . 0.47999999999999998 110.386 179.124 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.17 -47.45 11.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.409 179.585 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.75 -42.52 93.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.176 -0.952 . . . . 2.21 109.374 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.31 -41.91 97.79 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.415 -0.803 . . . . 3.5499999999999998 109.524 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.12 -55.7 28.16 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.493 -0.754 . . . . 0.52000000000000002 109.741 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.1 -38.06 49.55 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.198 -0.939 . . . . 1.6799999999999999 109.96 -179.642 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.8 -52.74 58.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 1.1499999999999999 110.689 -179.205 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.65 -43.52 97.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.06 -1.025 . . . . 0.33000000000000002 109.322 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.42 -43.85 62.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.251 -0.906 . . . . 3.02 109.489 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.86 -46.32 91.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.873 . . . . 1.75 110.024 -179.673 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.1 -42.57 98.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.219 -0.926 . . . . 1.0700000000000001 109.436 -179.835 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.57 -50.62 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 1.21 109.652 179.96 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.33 -34.9 78.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.185 -0.947 . . . . 1.6899999999999999 109.85 -179.817 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.32 74.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.0600000000000001 110.033 -179.51 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.63 -43.61 98.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 1.0800000000000001 109.686 -179.723 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.61 -34.6 72.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 1.9299999999999999 109.413 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.71 -51.29 63.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 1.1399999999999999 109.28 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -59.9 -42.51 94.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.21 -0.931 . . . . 2.1899999999999999 109.061 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.29 -46.09 79.91 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.108 -0.701 . . . . 1.4299999999999999 109.108 179.552 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.322 -0.861 . . . . 1.3100000000000001 109.201 179.788 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.209 0.528 . . . . 2.1099999999999999 109.7 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.345 -0.847 . . . . 1.01 109.639 179.874 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.94 139.65 38.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.57999999999999996 108.837 179.5 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.87 164.84 12.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.293 -0.879 . . . . 1.1599999999999999 109.219 -179.824 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.22 130.61 14.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 1.1699999999999999 110.026 -179.117 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.11 127.22 33.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 1.8100000000000001 108.874 179.513 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.45 117.2 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 O-C-N 121.551 -0.718 . . . . 1.1299999999999999 109.753 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' C' ' 333' ' ' ARG . 19.3 ttt-85 -76.72 154.34 34.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.827 . . . . 2.8199999999999998 109.641 179.44 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.98 137.17 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.364 -1.094 . . . . 0.45000000000000001 110.364 179.126 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.22 -47.43 11.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -1.096 . . . . 3.0800000000000001 109.379 179.657 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.46 93.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.166 -0.958 . . . . 2.54 109.383 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.353 -0.842 . . . . 4.1100000000000003 109.515 -179.946 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.02 -55.74 27.52 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.473 -0.767 . . . . 0.56999999999999995 109.745 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.06 -38.05 49.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 109.923 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.89 -52.75 58.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.253 -0.904 . . . . 1.29 110.64 -179.102 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.61 -43.66 97.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.40000000000000002 109.239 -179.444 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.4 -43.74 62.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.228 -0.92 . . . . 3.8500000000000001 109.554 179.763 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.42 90.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 1.78 109.969 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -42.51 98.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.141 -0.974 . . . . 1.1699999999999999 109.431 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.62 -50.61 73.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 1.2 109.572 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.33 -34.93 78.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 2.1200000000000001 109.877 -179.815 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.36 74.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 1.0700000000000001 110.088 -179.554 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.55 -43.59 98.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -0.88 . . . . 1.1399999999999999 109.683 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -59.7 -34.53 73.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.213 -0.93 . . . . 2.0899999999999999 109.473 179.987 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.71 -51.28 63.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.383 -0.823 . . . . 1.3799999999999999 109.266 -179.904 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.02 -42.46 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 2.6800000000000002 109.059 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.28 -46.07 79.9 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.1 -0.704 . . . . 1.3400000000000001 109.1 179.549 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.358 -0.839 . . . . 1.3 109.178 179.793 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.312 0.577 . . . . 1.6699999999999999 109.701 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -97.77 152.99 18.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.227 -0.92 . . . . 1.01 109.69 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -138.94 139.67 38.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.878 . . . . 0.63 108.822 179.479 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.84 164.78 12.98 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.274 -0.891 . . . . 1.1299999999999999 109.187 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.75 14.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.186 -0.946 . . . . 1.1000000000000001 110.044 -179.18 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.19 33.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.869 179.495 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.41 117.23 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.533 -0.729 . . . . 1.1499999999999999 109.731 -179.474 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' D' ' 333' ' ' ARG . 19.4 ttt-85 -76.74 154.33 34.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.388 -0.82 . . . . 2.77 109.647 179.446 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.36 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.331 -1.108 . . . . 0.42999999999999999 110.331 179.076 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.416 HH21 ' CD ' ' B' ' 326' ' ' GLU . 34.9 ttm180 -83.23 -47.45 11.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.39 -1.065 . . . . 3.1200000000000001 109.348 179.679 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.54 93.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.366 179.983 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.35 -41.96 97.91 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.319 -0.863 . . . . 3.5 109.496 -179.954 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -55.06 -55.73 27.75 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.577 -0.702 . . . . 0.5 109.75 -179.794 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.07 -38.03 49.21 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.224 -0.923 . . . . 1.6899999999999999 109.954 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.87 -52.71 58.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 110.711 -179.206 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.57 -43.71 96.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.12 -0.987 . . . . 0.32000000000000001 109.277 -179.55 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -51.4 -43.71 62.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.279 -0.888 . . . . 2.96 109.518 179.768 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.48 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.308 -0.87 . . . . 1.75 109.947 -179.748 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.12 -42.58 98.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 1.0800000000000001 109.414 -179.75 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -58.47 -50.7 72.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.2 -0.938 . . . . 1.22 109.651 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -63.28 -34.9 78.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 1.73 109.863 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.36 74.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 1.0700000000000001 110.095 -179.567 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.6 -43.51 98.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.1100000000000001 109.695 -179.667 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.71 -34.65 73.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.432 179.954 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.66 -51.26 63.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.328 -179.916 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.04 -42.4 94.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 2.1499999999999999 109.015 179.915 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.37 -46.08 80.2 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.065 -0.717 . . . . 1.4399999999999999 109.065 179.612 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.18 65.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.358 -0.839 . . . . 1.3 109.223 179.777 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 1.3999999999999999 109.548 -179.989 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.421 -0.585 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.336 -0.853 . . . . 1.04 109.762 -179.815 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.62 ' H ' ' NE2' ' C' ' 331' ' ' GLN . 83.3 m-85 -138.39 -173.96 3.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.374 -0.829 . . . . 0.65000000000000002 109.332 179.946 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -149.73 147.97 28.69 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.569 -0.9 . . . . 1.1399999999999999 108.569 179.99 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 67.5 tp -141.18 134.21 29.2 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.834 . . . . 1.0900000000000001 109.913 -178.565 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.648 HE21 ' H ' ' C' ' 328' ' ' PHE . 7.5 tm0? -84.72 127.36 34.07 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.312 -0.996 . . . . 1.3700000000000001 108.312 179.137 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.52 112.25 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.064 -179.406 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -75.52 149.99 38.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.532 -0.73 . . . . 2.79 109.863 -179.88 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.98 134.33 5.97 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.883 -1.287 . . . . 0.45000000000000001 109.883 179.529 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.6 -48.43 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -1.089 . . . . 3.1600000000000001 109.419 179.785 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.86 -44.16 90.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.37 -0.831 . . . . 2.2200000000000002 109.359 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.246 -0.909 . . . . 3.54 109.233 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.83 -56.68 16.77 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.5 109.667 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.61 -39.25 57.65 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.294 -0.879 . . . . 1.6599999999999999 109.728 -179.807 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.12 -51.94 64.51 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 110.155 -179.237 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.96 -46.57 90.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.109 -0.994 . . . . 0.34000000000000002 108.899 -179.8 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.69 -43.15 62.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 2.9399999999999999 109.5 179.74 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.72 -45.45 92.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.864 . . . . 1.74 110.093 -179.579 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.51 -42.49 96.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 1.0700000000000001 109.221 -179.985 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.72 -52.7 64.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.357 -0.839 . . . . 1.22 109.323 179.707 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.5 ' CD ' ' HZ3' ' B' ' 351' ' ' LYS . 79.4 tt0 -63.51 -35.9 81.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 1.72 109.752 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.49 57.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 109.898 -179.601 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.06 -43.59 98.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.296 -179.882 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -35.68 73.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.9099999999999999 109.143 179.87 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.527 ' O ' ' NE2' ' A' ' 354' ' ' GLN . 23.7 tp -63.8 -44.19 94.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.435 -0.791 . . . . 1.1499999999999999 109.329 179.874 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.99 -42.82 99.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 2.1400000000000001 108.763 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -57.74 -29.51 64.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.388 179.547 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.79 84.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 1.3 109.911 -179.734 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 350' ' ' LEU . 3.9 mp0 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.4199999999999999 109.39 -179.819 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.387 -0.598 . . . . 1.6100000000000001 109.387 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.212 -0.93 . . . . 0.96999999999999997 109.726 -179.803 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.617 ' H ' HE21 ' D' ' 331' ' ' GLN . 83.4 m-85 -138.35 -173.94 3.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.59999999999999998 109.338 179.996 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -149.7 148.08 28.83 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.542 -0.91 . . . . 1.1000000000000001 108.542 179.984 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.32 134.16 28.87 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.379 -0.826 . . . . 1.1000000000000001 109.776 -178.524 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.667 HE21 ' H ' ' D' ' 328' ' ' PHE . 7.6 tm0? -84.68 127.37 34.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.326 -0.991 . . . . 1.3600000000000001 108.326 179.085 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.48 112.23 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.399 -0.813 . . . . 1.1699999999999999 109.184 -179.473 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.53 149.97 38.26 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.73 . . . . 2.79 109.816 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.35 5.98 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.921 -1.272 . . . . 0.47999999999999998 109.921 179.498 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.63 -48.48 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -1.112 . . . . 3.2200000000000002 109.318 179.882 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.8 -44.13 90.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.288 -0.883 . . . . 2.21 109.409 179.91 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.42 99.54 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.216 -0.928 . . . . 3.5499999999999998 109.253 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.79 -56.68 16.75 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.514 -0.741 . . . . 0.52000000000000002 109.69 -179.929 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.65 -39.23 57.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 109.789 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.14 -51.9 64.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 110.191 -179.321 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.95 -46.6 90.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.33000000000000002 108.899 -179.856 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.59 -43.2 62.4 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.368 -0.832 . . . . 3.02 109.573 179.716 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -59.68 -45.55 91.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 1.75 109.968 -179.563 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.56 -42.43 96.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.131 -0.981 . . . . 1.0700000000000001 109.177 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.75 -52.66 64.75 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 1.21 109.365 179.684 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.5 -35.98 82.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 1.6899999999999999 109.729 -179.945 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.65 55.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 1.0600000000000001 109.919 -179.627 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.11 -43.5 98.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.96 . . . . 1.0800000000000001 109.24 -179.785 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -59.0 -35.7 73.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 1.9299999999999999 109.239 179.753 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.8 -44.2 94.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.307 -0.871 . . . . 1.1399999999999999 109.25 179.832 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.5 ' HZ3' ' CD ' ' A' ' 346' ' ' GLU . 11.5 ttmm -61.0 -42.96 99.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 2.1899999999999999 108.792 179.911 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.63 -29.46 64.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.579 -0.7 . . . . 1.4299999999999999 109.416 179.458 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 1.3100000000000001 109.873 -179.668 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.41 -0.589 . . . . 2.1099999999999999 109.41 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -93.96 145.91 24.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.902 . . . . 1.01 109.719 -179.748 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.648 ' H ' HE21 ' A' ' 331' ' ' GLN . 83.4 m-85 -138.3 -173.93 3.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.421 -0.799 . . . . 0.57999999999999996 109.343 179.993 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.6 p -149.74 148.1 28.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.557 -0.905 . . . . 1.1599999999999999 108.557 179.892 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 67.4 tp -141.29 134.24 29.05 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.368 -0.832 . . . . 1.1699999999999999 109.825 -178.534 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 328' ' ' PHE . 7.6 tm0? -84.73 127.42 34.1 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.342 -0.984 . . . . 1.8100000000000001 108.342 179.073 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.55 112.15 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.486 -0.759 . . . . 1.1299999999999999 109.174 -179.421 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.5 150.01 38.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.543 -0.723 . . . . 2.8199999999999998 109.874 -179.791 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.94 134.36 5.96 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.922 -1.271 . . . . 0.45000000000000001 109.922 179.554 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -79.58 -48.43 13.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.423 -1.045 . . . . 3.0800000000000001 109.369 179.845 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.89 -44.16 91.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.845 . . . . 2.54 109.332 179.898 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.63 -42.3 99.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.339 -0.85 . . . . 4.1100000000000003 109.283 179.907 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.86 -56.64 17.28 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.513 -0.742 . . . . 0.56999999999999995 109.637 -179.954 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.73 -39.17 57.96 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.42 -0.8 . . . . 1.6599999999999999 109.783 -179.753 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.15 -51.86 64.76 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.293 -0.879 . . . . 1.29 110.244 -179.286 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.01 -46.56 90.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.40000000000000002 108.904 -179.884 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.63 -43.11 62.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.307 -0.87 . . . . 3.8500000000000001 109.527 179.701 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.84 -45.42 92.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.78 110.0 -179.539 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.61 -42.3 96.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.943 . . . . 1.1699999999999999 109.241 -179.942 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -58.88 -52.59 65.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.895 . . . . 1.2 109.356 179.673 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.48 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 2.1200000000000001 109.764 -179.964 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.55 56.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 109.958 -179.605 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.01 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.176 -0.952 . . . . 1.1399999999999999 109.377 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.02 -35.74 73.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.218 179.779 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.85 -44.12 94.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.3799999999999999 109.25 179.937 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.511 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 11.5 ttmm -61.04 -42.93 99.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.335 -0.853 . . . . 2.6800000000000002 108.755 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.67 -29.44 64.64 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.666 -0.646 . . . . 1.3400000000000001 109.452 179.486 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 1.3 109.92 -179.668 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.411 -0.588 . . . . 1.6699999999999999 109.411 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.96 145.87 24.33 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.26 -0.9 . . . . 1.01 109.728 -179.81 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.667 ' H ' HE21 ' B' ' 331' ' ' GLN . 83.3 m-85 -138.26 -173.9 3.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.382 -0.824 . . . . 0.63 109.302 179.995 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.76 148.05 28.75 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.528 -0.916 . . . . 1.1299999999999999 108.528 179.938 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.25 134.21 29.07 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.315 -0.865 . . . . 1.1000000000000001 109.848 -178.554 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.617 HE21 ' H ' ' B' ' 328' ' ' PHE . 7.6 tm0? -84.72 127.39 34.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.28 -1.008 . . . . 1.3700000000000001 108.28 179.12 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.45 112.32 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.483 -0.761 . . . . 1.1499999999999999 109.196 -179.549 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -75.65 150.06 38.04 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.545 -0.722 . . . . 2.77 109.819 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.37 5.99 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.889 -1.284 . . . . 0.42999999999999999 109.889 179.556 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.71 -48.41 13.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -1.077 . . . . 3.1200000000000001 109.357 179.787 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -44.16 90.96 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 2.2200000000000002 109.341 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -62.6 -42.29 99.48 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.242 -0.911 . . . . 3.5 109.294 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.9 -56.69 16.81 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.578 -0.702 . . . . 0.5 109.591 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.69 -39.18 57.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.773 -179.749 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.04 -51.98 64.65 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.201 -0.937 . . . . 1.1399999999999999 110.229 -179.374 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.95 -46.62 89.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.065 -1.022 . . . . 0.32000000000000001 108.932 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.59 -43.18 62.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -0.848 . . . . 2.96 109.567 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.73 -45.43 92.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.312 -0.868 . . . . 1.75 110.037 -179.571 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.65 -42.41 96.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 109.197 -179.931 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.73 -52.69 64.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.309 -0.869 . . . . 1.22 109.34 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.511 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 79.4 tt0 -63.46 -35.99 82.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 1.73 109.757 -179.946 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.49 57.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 109.976 -179.628 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.1 -43.55 98.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 1.1100000000000001 109.293 -179.934 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.97 -35.74 73.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.17 179.818 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' D' ' 354' ' ' GLN . 23.8 tp -63.8 -44.16 94.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.381 -0.825 . . . . 1.1699999999999999 109.324 179.875 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.03 -42.81 99.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.318 -0.864 . . . . 2.1499999999999999 108.773 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -57.72 -29.52 64.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.35 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.85 84.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 1.3 109.879 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' D' ' 350' ' ' LEU . 3.9 mp0 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.173 -0.955 . . . . 1.3999999999999999 109.415 -179.877 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.463 -0.569 . . . . 1.7 109.463 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.54 153.41 18.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.176 -0.953 . . . . 1.04 109.469 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -135.73 -170.63 2.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.265 -0.897 . . . . 0.65000000000000002 109.068 179.832 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.71 145.19 24.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.202 -0.936 . . . . 1.1399999999999999 108.758 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.16 136.17 33.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.445 -0.784 . . . . 1.0900000000000001 109.614 -178.502 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.17 128.64 34.93 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.464 -0.939 . . . . 1.3700000000000001 108.464 179.031 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.03 116.41 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.309 0 N-CA-C 108.997 -0.742 . . . . 1.1499999999999999 108.997 -179.804 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.61 152.66 39.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.728 -0.607 . . . . 2.79 110.006 -179.432 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.06 136.26 1.52 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.46 -1.056 . . . . 0.45000000000000001 110.46 178.854 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -80.48 -41.6 24.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.422 -1.046 . . . . 3.1600000000000001 109.057 179.313 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.39 -48.34 80.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 108.982 179.505 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.2 ttm180 -60.87 -42.53 98.1 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.463 -0.773 . . . . 3.54 109.155 179.676 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -55.12 -54.9 37.34 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.591 -0.693 . . . . 0.5 109.527 179.936 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.17 63.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.6599999999999999 109.83 -179.772 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -61.66 -50.07 73.98 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.298 -0.876 . . . . 1.1499999999999999 110.132 -179.133 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.77 -45.77 93.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.942 . . . . 0.34000000000000002 108.902 -179.945 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -40.63 54.48 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.383 -0.823 . . . . 2.9399999999999999 109.58 179.607 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.12 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 1.74 109.932 -179.588 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.91 -34.05 72.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.251 -0.905 . . . . 1.0700000000000001 108.784 179.762 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.49 -57.45 12.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.535 -0.728 . . . . 1.22 109.33 179.317 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.53 -35.02 79.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.538 -0.726 . . . . 1.72 109.912 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.57 33.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 110.079 -179.253 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.76 -43.33 99.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.128 -0.982 . . . . 1.0800000000000001 109.405 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.81 -33.43 70.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 109.093 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.67 -52.06 54.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.428 -0.795 . . . . 1.1499999999999999 109.191 -179.915 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.92 -42.36 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.314 -0.866 . . . . 2.1400000000000001 109.097 179.819 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . 0.494 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 35.0 m-20 -57.12 -35.62 69.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.582 -0.699 . . . . 1.4299999999999999 109.514 179.898 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.24 78.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 1.3 109.388 -179.976 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 1.4199999999999999 109.608 -179.972 . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.323 0.583 . . . . 1.6100000000000001 109.555 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.53 153.05 18.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.125 -0.985 . . . . 0.96999999999999997 109.621 179.931 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.54 -170.63 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.25 -0.906 . . . . 0.59999999999999998 109.003 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.79 144.87 23.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.267 -0.896 . . . . 1.1000000000000001 108.832 179.794 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -139.92 136.12 33.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.459 -0.776 . . . . 1.1000000000000001 109.711 -178.417 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.29 128.6 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.395 -0.965 . . . . 1.3600000000000001 108.395 179.143 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.89 116.46 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 N-CA-C 109.03 -0.73 . . . . 1.1699999999999999 109.03 -179.838 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -74.67 153.06 39.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.657 -0.652 . . . . 2.79 109.943 -179.418 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.62 136.45 1.4 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.497 -1.041 . . . . 0.47999999999999998 110.497 178.991 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.58 -41.54 23.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.397 -1.06 . . . . 3.2200000000000002 109.037 179.26 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.45 -48.34 81.06 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 2.21 108.97 179.512 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -60.96 -42.52 98.44 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.529 -0.732 . . . . 3.5499999999999998 109.115 179.678 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.19 -54.81 38.59 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.545 -0.722 . . . . 0.52000000000000002 109.547 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.17 -43.12 63.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.411 -0.806 . . . . 1.6799999999999999 109.828 -179.812 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -61.75 -50.05 73.93 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 110.087 -179.087 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.73 -45.8 92.86 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.079 -1.013 . . . . 0.33000000000000002 108.905 -179.977 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.73 -40.6 54.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.407 -0.808 . . . . 3.02 109.584 179.625 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.16 -49.53 77.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.313 -0.867 . . . . 1.75 109.876 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.98 -34.01 72.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 108.74 179.847 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.4 -57.43 13.04 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.369 -0.832 . . . . 1.21 109.374 179.302 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.62 -35.0 79.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.523 -0.736 . . . . 1.6899999999999999 109.945 -179.858 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.54 33.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.291 -0.881 . . . . 1.0600000000000001 109.989 -179.223 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.73 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 1.0800000000000001 109.372 -179.777 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.83 -33.37 70.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.307 -0.871 . . . . 1.9299999999999999 109.177 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.58 -52.16 54.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.466 -0.771 . . . . 1.1399999999999999 109.169 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.468 -0.77 . . . . 2.1899999999999999 109.078 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.42 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 35.6 m-20 -56.98 -35.67 69.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.619 179.777 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.29 -0.881 . . . . 1.3100000000000001 109.417 -179.907 . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.449 -0.575 . . . . 2.1099999999999999 109.449 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -93.62 153.42 18.4 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.203 -0.935 . . . . 1.01 109.423 179.873 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.76 -170.64 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.001 179.838 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.61 145.31 24.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 1.1599999999999999 108.815 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.3 136.01 32.82 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.449 -0.782 . . . . 1.1699999999999999 109.612 -178.507 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.18 128.5 34.9 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.482 -0.933 . . . . 1.8100000000000001 108.482 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.84 116.46 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 N-CA-C 109.034 -0.728 . . . . 1.1299999999999999 109.034 -179.721 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.68 152.99 39.08 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.408 0.623 . . . . 2.8199999999999998 109.964 -179.428 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.72 136.45 1.43 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.448 -1.061 . . . . 0.45000000000000001 110.448 178.937 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.63 -41.42 23.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -1.097 . . . . 3.0800000000000001 109.041 179.282 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.53 -48.24 81.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.413 -0.805 . . . . 2.54 108.983 179.517 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.494 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 26.2 ttm180 -60.86 -42.67 98.31 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.396 -0.815 . . . . 4.1100000000000003 109.168 179.573 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.18 -54.82 38.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.569 -0.707 . . . . 0.56999999999999995 109.512 179.973 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.11 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.822 -179.861 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.77 -49.98 74.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.346 -0.846 . . . . 1.29 110.113 -179.079 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.81 -45.73 93.28 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.192 -0.942 . . . . 0.40000000000000002 109.015 179.99 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.78 -40.66 55.67 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.377 -0.827 . . . . 3.8500000000000001 109.485 179.626 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.95 -49.81 76.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.87 . . . . 1.78 109.882 -179.603 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.83 -33.98 72.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 108.809 179.84 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.43 -57.6 12.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.547 -0.72 . . . . 1.2 109.285 179.276 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.36 -35.03 79.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.474 -0.766 . . . . 2.1200000000000001 110.006 -179.868 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.58 33.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 109.998 -179.236 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.75 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.207 -0.933 . . . . 1.1399999999999999 109.357 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.78 -33.44 70.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.098 179.741 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.53 -52.18 54.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.341 -0.849 . . . . 1.3799999999999999 109.237 -179.921 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.02 -42.3 99.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.475 -0.765 . . . . 2.6800000000000002 109.021 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 35.5 m-20 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.556 179.837 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 1.3 109.436 179.999 . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.445 -0.576 . . . . 1.6699999999999999 109.445 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.57 153.25 18.52 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 1.01 109.475 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -135.63 -170.59 2.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.307 -0.871 . . . . 0.63 108.994 179.848 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.4 p -152.65 145.4 24.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 1.1299999999999999 108.83 179.745 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.43 135.89 32.5 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.408 -0.807 . . . . 1.1000000000000001 109.676 -178.449 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.0 128.59 34.89 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.575 -0.898 . . . . 1.3700000000000001 108.575 179.098 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.93 116.45 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 109.041 -0.726 . . . . 1.1499999999999999 109.041 -179.723 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -74.62 152.99 39.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.721 -0.612 . . . . 2.77 110.074 -179.486 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.69 136.39 1.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.568 -1.013 . . . . 0.42999999999999999 110.568 179.014 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -80.64 -41.59 23.6 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 108.912 179.417 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -58.29 -48.51 80.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.403 -0.811 . . . . 2.2200000000000002 108.926 179.451 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.42 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.2 ttm180 -60.85 -42.64 98.22 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.418 -0.801 . . . . 3.5 109.161 179.747 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.11 -54.87 37.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.535 -0.728 . . . . 0.5 109.507 179.895 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.05 -43.27 63.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 1.6899999999999999 109.865 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.65 -50.06 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 110.141 -179.075 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.8 -45.77 93.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.32000000000000001 108.93 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.71 -40.71 54.82 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.389 -0.819 . . . . 2.96 109.492 179.577 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.03 -49.6 77.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.344 -0.847 . . . . 1.75 109.915 -179.545 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.95 -33.94 72.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 108.763 179.854 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.44 -57.5 12.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.417 -0.802 . . . . 1.22 109.287 179.242 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.58 -34.99 79.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.493 -0.754 . . . . 1.73 109.923 -179.733 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -55.59 33.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 110.039 -179.234 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.75 -43.48 98.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 1.1100000000000001 109.35 -179.729 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.74 -33.46 70.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 109.065 179.785 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.56 -52.11 54.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 1.1699999999999999 109.202 -179.928 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.362 -0.836 . . . . 2.1499999999999999 109.053 179.826 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 35.6 m-20 -56.93 -35.65 69.3 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.59 -0.694 . . . . 1.4399999999999999 109.583 179.827 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -35.23 77.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.3 109.382 -179.84 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 1.3999999999999999 109.62 179.903 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.245 0.545 . . . . 1.7 109.539 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -95.55 144.69 25.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 1.04 109.821 -179.772 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.462 ' N ' ' OE1' ' C' ' 331' ' ' GLN . 78.4 m-85 -132.96 -172.47 2.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.451 -0.781 . . . . 0.65000000000000002 109.18 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.99 151.2 31.74 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.554 -0.906 . . . . 1.1399999999999999 108.554 -179.957 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.97 134.11 25.83 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.357 -0.84 . . . . 1.0900000000000001 109.776 -178.515 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.835 -0.802 . . . . 1.3700000000000001 108.835 179.549 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.69 111.48 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 109.032 -0.729 . . . . 1.1499999999999999 109.032 -179.729 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.44 151.01 38.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.787 . . . . 2.79 109.889 -179.75 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 133.25 5.09 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.055 -1.218 . . . . 0.45000000000000001 110.055 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 335' ' ' ARG . 2.5 ttt-85 -79.57 -45.42 19.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -1.079 . . . . 3.1600000000000001 109.038 179.683 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.12 -46.22 85.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.424 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -63.13 -42.24 99.48 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.277 -0.89 . . . . 3.54 109.415 179.956 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -53.83 -55.35 27.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.699 -0.626 . . . . 0.5 109.808 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.5 -39.17 60.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.873 . . . . 1.6599999999999999 109.731 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.37 -52.24 62.51 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.266 -0.896 . . . . 1.1499999999999999 110.603 -179.408 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.83 -48.09 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.34000000000000002 109.172 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.59 -41.27 61.07 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.889 . . . . 2.9399999999999999 109.683 179.774 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -58.84 -49.28 78.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.202 -0.936 . . . . 1.74 109.954 -179.543 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.22 -37.21 79.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 1.0700000000000001 108.768 179.74 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.78 11.52 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.559 -0.713 . . . . 1.22 109.72 179.736 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.16 -33.53 75.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.403 -0.811 . . . . 1.72 109.904 -179.597 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.61 56.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.287 -0.883 . . . . 1.0700000000000001 110.127 -179.497 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.36 -41.67 97.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.138 -0.976 . . . . 1.0800000000000001 109.483 -179.826 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.58 -35.48 72.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 1.9099999999999999 109.001 179.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.81 -49.75 71.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.379 -0.825 . . . . 1.1499999999999999 108.816 179.658 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.89 -48.6 81.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.363 -0.836 . . . . 2.1400000000000001 108.961 179.579 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -57.08 -30.57 64.42 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.214 -0.661 . . . . 1.4299999999999999 109.214 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -31.68 72.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.917 . . . . 1.3 109.426 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.292 -0.88 . . . . 1.4199999999999999 109.362 179.865 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.507 -0.553 . . . . 1.6100000000000001 109.507 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.47 144.75 25.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.96999999999999997 109.839 -179.827 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.439 ' N ' ' OE1' ' D' ' 331' ' ' GLN . 78.4 m-85 -133.01 -172.57 2.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.467 -0.77 . . . . 0.59999999999999998 109.161 179.842 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.9 151.35 32.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.197 -0.94 . . . . 1.1000000000000001 108.602 179.921 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -143.03 134.15 25.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 1.1000000000000001 109.838 -178.569 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -85.87 126.35 34.0 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.89 -0.781 . . . . 1.3600000000000001 108.89 179.571 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.69 111.55 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.418 -0.802 . . . . 1.1699999999999999 109.0 -179.632 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.52 151.0 38.02 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 2.79 109.848 -179.697 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.89 133.41 5.15 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.967 -1.253 . . . . 0.47999999999999998 109.967 179.531 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' B' ' 335' ' ' ARG . 2.5 ttt-85 -79.53 -45.44 19.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.355 -1.085 . . . . 3.2200000000000002 109.1 179.584 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.19 -46.24 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 2.21 109.436 -179.997 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -63.17 -42.15 99.34 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.245 -0.91 . . . . 3.5499999999999998 109.388 179.938 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.528 -0.733 . . . . 0.52000000000000002 109.771 -179.696 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -39.08 60.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.765 -179.854 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.5 -52.19 62.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 110.573 -179.344 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.92 -48.03 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.069 -1.019 . . . . 0.33000000000000002 109.136 -179.615 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.63 -41.2 61.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.307 -0.87 . . . . 3.02 109.704 179.818 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.86 -49.33 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 1.75 109.907 -179.569 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.18 79.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.076 -1.015 . . . . 1.0700000000000001 108.749 179.756 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.85 11.22 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.638 -0.664 . . . . 1.21 109.735 179.711 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.08 -33.6 75.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 109.914 -179.624 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -53.69 55.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.213 -0.929 . . . . 1.0600000000000001 110.084 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.34 -41.73 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 1.0800000000000001 109.436 -179.787 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.52 -35.58 72.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.988 179.72 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.76 -49.73 71.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.893 -0.78 . . . . 1.1399999999999999 108.893 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.99 -48.46 81.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 2.1899999999999999 108.896 179.673 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 17.1 m-20 -57.16 -30.53 64.55 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.61 -0.682 . . . . 1.4299999999999999 109.222 179.689 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 1.3100000000000001 109.528 -179.924 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.537 -0.542 . . . . 2.1099999999999999 109.537 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.55 144.8 25.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.301 -0.875 . . . . 1.01 109.799 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.408 ' N ' ' OE1' ' A' ' 331' ' ' GLN . 78.5 m-85 -133.08 -172.51 2.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.36 -0.837 . . . . 0.57999999999999996 109.176 179.863 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.38 32.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.221 -0.925 . . . . 1.1599999999999999 108.525 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.5 tp -143.05 134.07 25.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.298 -0.876 . . . . 1.1699999999999999 109.868 -178.559 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -85.83 126.29 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.824 -0.806 . . . . 1.8100000000000001 108.824 179.61 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.64 111.52 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.463 -0.773 . . . . 1.1299999999999999 109.059 -179.694 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.51 151.06 38.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.803 . . . . 2.8199999999999998 109.865 -179.678 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 133.4 5.11 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.974 -1.251 . . . . 0.45000000000000001 109.974 179.57 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' C' ' 335' ' ' ARG . 2.5 ttt-85 -79.64 -45.35 19.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -1.067 . . . . 3.0800000000000001 109.059 179.695 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.23 -46.22 86.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.355 -0.841 . . . . 2.54 109.43 179.985 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -63.08 -42.23 99.6 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.417 -0.802 . . . . 4.1100000000000003 109.43 179.866 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.81 -55.42 26.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.604 -0.685 . . . . 0.56999999999999995 109.757 -179.743 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.45 -39.21 60.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 109.744 -179.756 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.36 -52.29 62.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.28 -0.888 . . . . 1.29 110.547 -179.312 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.85 -48.08 83.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.993 -1.067 . . . . 0.40000000000000002 109.152 -179.577 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.68 -41.08 61.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.29 -0.881 . . . . 3.8500000000000001 109.752 179.809 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.93 -49.3 78.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.241 -0.912 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.09 79.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 1.1699999999999999 108.76 179.771 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.24 -57.76 11.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.529 -0.732 . . . . 1.2 109.737 179.745 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.18 -33.56 75.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.412 -0.805 . . . . 2.1200000000000001 109.907 -179.633 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -53.67 55.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 110.165 -179.513 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -41.68 97.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 109.412 -179.791 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.57 -35.62 72.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 2.0899999999999999 108.915 179.721 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.7 -49.89 71.33 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.876 -0.787 . . . . 1.3799999999999999 108.876 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.78 -48.57 81.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 2.6800000000000002 108.913 179.655 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.454 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 17.0 m-20 -57.04 -30.67 64.44 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.64 -0.663 . . . . 1.3400000000000001 109.233 179.703 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 1.3 109.503 -179.887 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.447 -0.575 . . . . 1.6699999999999999 109.447 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -95.54 144.79 25.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.906 . . . . 1.01 109.815 -179.824 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.449 ' N ' ' OE1' ' B' ' 331' ' ' GLN . 78.6 m-85 -133.07 -172.56 2.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.483 -0.761 . . . . 0.63 109.144 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.31 31.95 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 1.1299999999999999 108.576 179.97 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -142.99 134.19 25.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.761 -178.514 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -85.95 126.29 34.0 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.857 -0.794 . . . . 1.3700000000000001 108.857 179.561 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.65 111.44 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.437 -0.79 . . . . 1.1499999999999999 109.026 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -75.39 150.98 38.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 2.77 109.946 -179.765 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 133.36 5.12 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.024 -1.23 . . . . 0.42999999999999999 110.024 179.587 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.494 HH11 ' HG2' ' D' ' 335' ' ' ARG . 2.5 ttt-85 -79.61 -45.36 19.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.389 -1.065 . . . . 3.1200000000000001 109.094 179.616 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.23 -46.2 86.34 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.393 -0.817 . . . . 2.2200000000000002 109.438 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -63.11 -42.26 99.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.297 -0.877 . . . . 3.5 109.38 179.93 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -53.82 -55.41 26.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.604 -0.685 . . . . 0.5 109.809 -179.7 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.44 -39.13 60.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 1.6899999999999999 109.784 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.38 -52.31 62.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 110.568 -179.394 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.87 -48.15 83.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.117 -0.989 . . . . 0.32000000000000001 109.089 -179.528 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.52 -41.18 60.84 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.284 -0.885 . . . . 2.96 109.775 179.775 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.92 -49.25 78.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -0.959 . . . . 1.75 109.934 -179.566 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.26 -37.2 79.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.071 -1.018 . . . . 1.0800000000000001 108.68 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.551 -0.718 . . . . 1.22 109.775 179.729 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.04 -33.59 75.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.411 -0.806 . . . . 1.73 109.894 -179.655 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.71 55.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.87 . . . . 1.0700000000000001 110.076 -179.443 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 1.1100000000000001 109.515 -179.744 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.51 -35.57 72.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.025 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.78 -49.78 71.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.378 -0.827 . . . . 1.1699999999999999 108.868 179.671 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.89 -48.61 81.04 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.378 -0.826 . . . . 2.1499999999999999 109.006 179.498 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 17.1 m-20 -57.09 -30.47 64.37 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.666 -0.646 . . . . 1.4399999999999999 109.287 179.632 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.68 72.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.3 109.511 -179.938 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.181 -0.95 . . . . 1.3999999999999999 109.293 179.911 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.299 0.571 . . . . 1.7 109.994 . . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -96.59 151.85 19.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.243 -0.91 . . . . 1.04 109.378 179.505 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.31 4.12 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.65000000000000002 109.262 179.898 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.26 146.55 26.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.297 -0.877 . . . . 1.1399999999999999 108.762 -179.801 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.08 132.18 27.98 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 1.0900000000000001 109.735 -178.573 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.72 130.64 34.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.358 -0.979 . . . . 1.3700000000000001 108.358 179.12 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -123.33 113.29 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.412 -0.805 . . . . 1.1499999999999999 109.331 -179.49 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -74.49 149.52 40.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.531 -0.73 . . . . 2.79 109.311 179.704 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 135.12 4.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.868 -1.293 . . . . 0.45000000000000001 109.868 179.836 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.77 -46.18 15.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -1.102 . . . . 3.1600000000000001 109.555 179.861 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.06 -42.83 86.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.513 -179.936 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.06 -42.87 99.64 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.337 -0.852 . . . . 3.54 109.313 179.96 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -55.54 -56.9 14.95 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.585 -0.697 . . . . 0.5 110.039 -179.694 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.6 -37.82 51.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 110.083 -179.505 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.7 -50.78 67.83 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 110.502 -179.221 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.86 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.091 -1.006 . . . . 0.34000000000000002 109.189 -179.515 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.6 -43.67 62.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.293 -0.88 . . . . 2.9399999999999999 109.511 179.669 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.04 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.107 -0.995 . . . . 1.74 109.76 -179.792 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.56 -44.43 97.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.463 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -58.02 -48.2 80.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 1.22 109.247 179.868 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.99 -38.41 88.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.858 . . . . 1.72 109.466 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.31 66.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.846 -179.869 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.64 -43.87 98.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 1.0800000000000001 109.314 -179.94 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.44 -36.62 76.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.209 179.689 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.22 -51.78 62.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.456 -0.778 . . . . 1.1499999999999999 109.114 179.849 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.62 -42.05 96.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.1400000000000001 109.033 179.832 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -34.78 67.56 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.331 179.778 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.34 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.351 -0.843 . . . . 1.3 109.658 -179.889 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 1.4199999999999999 109.637 -179.846 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' B' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.236 0.541 . . . . 1.6100000000000001 110.007 . . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -96.65 151.9 19.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.357 179.492 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.29 4.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.363 -0.835 . . . . 0.59999999999999998 109.319 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 108.725 -179.78 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 51.3 tp -140.22 132.15 27.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.341 -0.849 . . . . 1.1000000000000001 109.642 -178.541 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.69 130.67 34.67 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 1.3600000000000001 108.375 179.128 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 113.35 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.419 -0.801 . . . . 1.1699999999999999 109.309 -179.448 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.7 ttt-85 -74.51 149.62 40.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.736 . . . . 2.79 109.3 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.21 135.12 4.37 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.847 -1.301 . . . . 0.47999999999999998 109.847 179.818 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.8 -46.1 15.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.304 -1.115 . . . . 3.2200000000000002 109.573 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -42.9 86.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.21 109.482 -179.977 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.08 -42.8 99.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.251 -0.906 . . . . 3.5499999999999998 109.359 -179.962 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.6 -56.88 15.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.506 -0.746 . . . . 0.52000000000000002 109.993 -179.731 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.63 -37.9 52.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 1.6799999999999999 110.051 -179.482 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.59 -50.87 67.74 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.14 -0.975 . . . . 1.1499999999999999 110.481 -179.274 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.42 98.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.146 -0.971 . . . . 0.33000000000000002 109.234 -179.486 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.72 -43.6 62.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.2 -0.937 . . . . 3.02 109.436 179.734 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.09 91.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.189 -0.944 . . . . 1.75 109.737 -179.8 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.5 -44.41 97.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.509 -179.725 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -58.05 -48.1 81.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.094 -1.004 . . . . 1.21 109.29 179.823 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.98 -38.42 88.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 1.6899999999999999 109.462 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.94 -52.33 66.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 1.0600000000000001 109.825 -179.774 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.58 -43.97 97.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.915 . . . . 1.0800000000000001 109.331 -179.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.32 -36.71 76.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.246 -0.908 . . . . 1.9299999999999999 109.244 179.628 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.16 -51.77 62.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.436 -0.79 . . . . 1.1399999999999999 109.177 179.811 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.58 -41.99 95.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 109.1 179.797 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -34.75 67.8 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.26 179.795 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.87 . . . . 1.3100000000000001 109.668 -179.918 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' C' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.218 0.533 . . . . 2.1099999999999999 109.943 . . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -96.67 151.91 19.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.227 -0.921 . . . . 1.01 109.339 179.494 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.17 -175.25 4.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.839 . . . . 0.57999999999999996 109.248 179.928 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.32 146.57 26.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.204 -0.935 . . . . 1.1599999999999999 108.715 -179.757 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.12 132.1 27.78 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.386 -0.821 . . . . 1.1699999999999999 109.707 -178.576 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.64 130.73 34.68 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.408 -0.96 . . . . 1.8100000000000001 108.408 179.033 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.39 113.35 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.529 -0.732 . . . . 1.1299999999999999 109.307 -179.506 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.47 149.53 40.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.57 -0.706 . . . . 2.8199999999999998 109.377 179.675 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.37 134.98 4.41 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.818 -1.313 . . . . 0.45000000000000001 109.818 179.766 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -80.69 -46.18 15.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -1.052 . . . . 3.0800000000000001 109.546 179.921 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.96 -42.88 85.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.862 . . . . 2.54 109.512 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -62.13 -42.81 99.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.278 -0.889 . . . . 4.1100000000000003 109.291 -179.935 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.56 -56.94 14.44 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.538 -0.726 . . . . 0.56999999999999995 109.985 -179.692 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.61 -37.81 51.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.024 -179.427 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.65 -50.91 67.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.234 -0.916 . . . . 1.29 110.482 -179.265 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.65 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.117 -0.989 . . . . 0.40000000000000002 109.312 -179.565 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.73 -43.55 62.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.266 -0.896 . . . . 3.8500000000000001 109.44 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.78 109.744 -179.807 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.242 -0.912 . . . . 1.1699999999999999 109.549 -179.741 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.98 -48.23 80.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.069 -1.02 . . . . 1.2 109.227 179.799 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.92 -38.43 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.88 . . . . 2.1200000000000001 109.482 -179.958 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.0 -52.31 66.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.763 -179.768 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.58 -43.93 97.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.386 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.4 -36.62 76.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.907 . . . . 2.0899999999999999 109.189 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.28 -51.7 62.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 1.3799999999999999 109.145 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.65 -41.94 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 109.049 179.807 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -34.77 67.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.3400000000000001 109.285 179.791 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.878 . . . . 1.3 109.612 -179.897 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' D' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.255 0.55 . . . . 1.6699999999999999 110.051 . . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -96.59 151.79 19.26 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.179 -0.951 . . . . 1.01 109.383 179.499 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.06 -175.25 4.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.287 -0.883 . . . . 0.63 109.325 179.895 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.205 -0.934 . . . . 1.1299999999999999 108.68 -179.72 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -140.19 132.14 27.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 1.1000000000000001 109.652 -178.555 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.68 130.69 34.67 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.349 -0.982 . . . . 1.3700000000000001 108.349 179.121 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.1 mt -123.37 113.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.493 -0.754 . . . . 1.1499999999999999 109.372 -179.487 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.45 149.57 40.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.592 -0.692 . . . . 2.77 109.307 179.758 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.27 135.08 4.39 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.833 -1.307 . . . . 0.42999999999999999 109.833 179.769 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.76 -46.21 15.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 3.1200000000000001 109.551 179.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.97 -42.9 86.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.533 179.997 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.11 -42.8 99.59 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.277 -0.889 . . . . 3.5 109.342 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.57 -56.87 15.22 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.605 -0.685 . . . . 0.5 110.016 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.62 -37.83 51.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 1.6899999999999999 110.062 -179.449 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.3 ttp -63.69 -50.84 67.61 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.17 -0.956 . . . . 1.1399999999999999 110.47 -179.218 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.36 99.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.007 . . . . 0.32000000000000001 109.293 -179.596 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.8 -43.63 63.16 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.166 -0.959 . . . . 2.96 109.367 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -46.1 91.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 1.75 109.818 -179.83 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.51 -44.37 97.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.22 -0.925 . . . . 1.0800000000000001 109.559 -179.745 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -58.08 -48.16 80.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.109 -0.994 . . . . 1.22 109.22 179.838 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.0 -38.42 88.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.73 109.483 -179.959 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.89 -52.42 65.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.0700000000000001 109.727 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.54 -43.87 98.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.16 -0.963 . . . . 1.1100000000000001 109.412 -179.909 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.51 -36.61 76.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.132 179.685 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.29 -51.64 62.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.1699999999999999 109.174 179.891 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.61 -41.99 95.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 2.1499999999999999 109.166 179.706 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.68 -34.74 67.69 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.6 -0.688 . . . . 1.4399999999999999 109.311 179.715 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.36 84.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.369 -0.832 . . . . 1.3 109.666 -179.927 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 1.3999999999999999 109.665 -179.877 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.511 -0.552 . . . . 1.7 109.511 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.18 156.04 17.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.903 . . . . 1.04 109.582 179.983 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -137.78 -169.65 2.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.075 179.972 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.3 p -152.58 148.86 27.84 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.99 -1.069 . . . . 1.1399999999999999 109.026 -179.995 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.36 132.94 27.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.37 -0.831 . . . . 1.0900000000000001 109.829 -178.697 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.49 127.63 34.47 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.686 -0.857 . . . . 1.3700000000000001 108.686 179.248 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.4 mt -123.74 117.79 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 121.528 -0.733 . . . . 1.1499999999999999 109.248 -179.688 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.25 149.9 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.587 -0.696 . . . . 2.79 110.131 -179.727 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 135.67 5.51 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.445 -1.062 . . . . 0.45000000000000001 110.445 179.274 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -82.05 -53.16 6.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 3.1600000000000001 109.225 179.575 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.94 -40.23 83.99 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.165 -0.96 . . . . 2.2200000000000002 108.678 179.355 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' C' ' 352' ' ' ASP . 4.8 ttt180 -63.2 -43.47 98.08 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.776 -0.824 . . . . 3.54 108.776 179.58 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -53.16 60.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.685 -0.634 . . . . 0.5 109.631 179.764 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.06 -36.29 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.031 -179.502 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.97 -50.17 71.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.141 -0.975 . . . . 1.1499999999999999 110.314 -179.205 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.99 -44.48 97.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.34000000000000002 109.289 -179.778 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.941 . . . . 2.9399999999999999 109.477 179.804 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.52 -45.0 95.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 1.74 109.833 -179.7 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.8 -46.16 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 1.0700000000000001 109.224 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.58 -48.65 80.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.173 -0.954 . . . . 1.22 109.345 179.754 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.79 -41.86 99.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 1.72 109.746 -179.843 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.24 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.845 . . . . 1.0700000000000001 109.808 -179.674 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.41 -43.1 99.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.181 -0.95 . . . . 1.0800000000000001 109.18 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -34.78 73.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 1.9099999999999999 109.183 179.53 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.71 -49.09 74.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.1499999999999999 109.608 -179.847 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.27 -40.97 97.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 2.1400000000000001 108.926 179.819 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' C' ' 337' ' ' ARG . 56.4 m-20 -56.58 -32.19 64.96 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.508 179.761 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.95 60.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 1.3 109.715 -179.844 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.4199999999999999 109.569 -179.893 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.433 -0.58 . . . . 1.6100000000000001 109.433 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.24 156.06 17.05 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.96999999999999997 109.533 -179.964 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -137.87 -169.8 2.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.408 -0.807 . . . . 0.59999999999999998 108.974 179.982 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.5 148.9 27.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.098 -1.001 . . . . 1.1000000000000001 109.041 -179.944 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.44 132.83 26.72 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.359 -0.838 . . . . 1.1000000000000001 109.789 -178.606 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.45 127.7 34.48 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.723 -0.843 . . . . 1.3600000000000001 108.723 179.218 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.79 117.84 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.389 -0.819 . . . . 1.1699999999999999 109.234 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.36 149.88 38.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.647 -0.658 . . . . 2.79 110.12 -179.625 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.04 135.62 5.52 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.43 -1.068 . . . . 0.47999999999999998 110.43 179.325 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.95 -53.18 6.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.359 -1.083 . . . . 3.2200000000000002 109.171 179.567 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -59.09 -40.09 84.2 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.076 -1.015 . . . . 2.21 108.704 179.472 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.412 ' NH1' ' OD2' ' D' ' 352' ' ' ASP . 4.9 ttt180 -63.2 -43.48 98.04 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.8 -0.815 . . . . 3.5499999999999998 108.8 179.491 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.56 -53.25 59.71 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.686 -0.634 . . . . 0.52000000000000002 109.632 179.725 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.95 -36.29 37.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 1.6799999999999999 110.142 -179.57 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.01 -50.08 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.187 -0.946 . . . . 1.1499999999999999 110.364 -179.241 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.01 -44.61 97.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.078 -1.014 . . . . 0.33000000000000002 109.246 -179.805 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 3.02 109.374 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.35 -45.16 94.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.192 -0.942 . . . . 1.75 109.818 -179.747 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.81 -46.16 90.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.231 -179.955 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -58.64 -48.48 80.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.21 109.395 179.693 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.88 -41.86 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -0.846 . . . . 1.6899999999999999 109.718 -179.835 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.25 66.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 1.0600000000000001 109.888 -179.74 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.58 -43.07 99.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.09 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.88 -34.77 73.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.932 . . . . 1.9299999999999999 109.176 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.74 -49.0 74.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.574 -179.838 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.38 -40.94 98.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.33 -0.856 . . . . 2.1899999999999999 108.878 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH1' ' D' ' 337' ' ' ARG . 56.4 m-20 -56.65 -32.08 65.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.711 -0.618 . . . . 1.4299999999999999 109.526 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.268 -0.895 . . . . 1.3100000000000001 109.682 -179.826 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.423 -0.584 . . . . 2.1099999999999999 109.423 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.23 156.21 16.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.88 . . . . 1.01 109.532 -179.992 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.95 -169.8 2.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.343 -0.848 . . . . 0.57999999999999996 108.982 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.53 148.84 27.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 1.1599999999999999 109.026 -179.997 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.37 132.87 26.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 109.857 -178.713 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.42 127.61 34.44 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.7 -0.852 . . . . 1.8100000000000001 108.7 179.268 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.72 117.82 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.491 -0.755 . . . . 1.1299999999999999 109.215 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.26 149.89 38.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.625 -0.672 . . . . 2.8199999999999998 110.07 -179.695 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 135.51 5.48 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.436 -1.066 . . . . 0.45000000000000001 110.436 179.209 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.8 -53.23 6.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.372 -1.075 . . . . 3.0800000000000001 109.221 179.529 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -59.03 -40.06 83.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.068 -1.02 . . . . 2.54 108.633 179.501 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 352' ' ' ASP . 4.8 ttt180 -63.36 -43.39 97.81 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.73 -0.841 . . . . 4.1100000000000003 108.73 179.621 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -56.65 -53.17 60.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.747 -0.596 . . . . 0.56999999999999995 109.631 179.691 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -51.0 -36.28 38.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.889 . . . . 1.6599999999999999 110.107 -179.56 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.0 -50.18 71.74 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.092 -1.005 . . . . 1.29 110.354 -179.24 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.94 -44.56 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.039 -1.038 . . . . 0.40000000000000002 109.292 -179.852 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.43 -41.54 60.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.214 -0.929 . . . . 3.8500000000000001 109.413 179.844 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.41 -45.18 94.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.895 . . . . 1.78 109.802 -179.782 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.69 -46.14 90.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 1.1699999999999999 109.299 -179.993 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -58.64 -48.5 80.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.331 -0.855 . . . . 1.2 109.334 179.746 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.96 -41.78 99.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.737 -179.822 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.33 66.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 1.0700000000000001 109.845 -179.728 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -43.26 99.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 1.1399999999999999 109.127 179.99 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.75 -34.84 73.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 2.0899999999999999 109.144 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.71 -49.1 74.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.356 -0.84 . . . . 1.3799999999999999 109.546 -179.832 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 2.6800000000000002 108.938 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 337' ' ' ARG . 56.5 m-20 -56.64 -32.02 64.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.57 -0.706 . . . . 1.3400000000000001 109.547 179.786 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.837 . . . . 1.3 109.712 -179.838 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.455 -0.572 . . . . 1.6699999999999999 109.455 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.26 156.14 17.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 1.01 109.583 179.991 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -137.84 -169.61 2.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.63 109.053 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.67 148.66 27.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.034 -1.041 . . . . 1.1299999999999999 109.026 -179.907 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -141.3 132.87 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.434 -0.791 . . . . 1.1000000000000001 109.895 -178.738 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.34 127.64 34.42 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.739 -0.838 . . . . 1.3700000000000001 108.739 179.251 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.69 117.84 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.508 -0.745 . . . . 1.1499999999999999 109.198 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.32 149.97 38.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 2.77 110.104 -179.753 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 135.69 5.5 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.4 -1.08 . . . . 0.42999999999999999 110.4 179.204 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.93 -53.23 6.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.418 -1.048 . . . . 3.1200000000000001 109.235 179.55 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.96 -40.15 83.85 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.157 -0.964 . . . . 2.2200000000000002 108.657 179.476 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH1' ' OD2' ' B' ' 352' ' ' ASP . 4.8 ttt180 -63.28 -43.43 97.95 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.759 -0.83 . . . . 3.5 108.759 179.604 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -56.65 -53.19 60.57 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.698 -0.626 . . . . 0.5 109.547 179.823 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.03 -36.23 38.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 1.6899999999999999 110.126 -179.528 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.06 -50.16 71.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.096 -1.002 . . . . 1.1399999999999999 110.285 -179.223 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.92 -44.56 97.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.32000000000000001 109.27 -179.801 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -51.4 -41.58 60.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 2.96 109.438 179.826 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.38 -45.18 94.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.909 . . . . 1.75 109.829 -179.77 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.7 -46.13 91.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 1.0800000000000001 109.309 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.64 -48.57 80.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.22 109.333 179.736 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.85 -41.79 99.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.73 109.726 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.2 66.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.888 -179.724 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.44 -43.25 99.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.146 -0.971 . . . . 1.1100000000000001 109.116 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.84 -34.8 73.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 1.9099999999999999 109.135 179.538 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.67 -49.08 74.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.328 -0.858 . . . . 1.1699999999999999 109.614 -179.895 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.34 -40.97 98.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 2.1499999999999999 108.868 179.818 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD2' ' NH1' ' B' ' 337' ' ' ARG . 56.1 m-20 -56.71 -32.04 65.09 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.684 -0.635 . . . . 1.4399999999999999 109.495 179.874 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.9 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 1.3 109.729 -179.876 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 1.3999999999999999 109.522 -179.85 . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.28 0.562 . . . . 1.7 109.632 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -94.83 155.42 16.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.212 -0.93 . . . . 1.04 109.894 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -138.57 -174.91 3.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.65000000000000002 108.985 179.639 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.43 118.25 5.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 1.1399999999999999 109.061 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -109.38 136.54 48.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.679 -0.638 . . . . 1.0900000000000001 109.913 -178.731 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.78 128.78 35.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.384 -0.822 . . . . 1.3700000000000001 108.906 179.147 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.93 117.13 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.399 -0.813 . . . . 1.1499999999999999 109.432 -179.671 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.01 155.78 34.63 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.612 -0.68 . . . . 2.79 109.931 179.973 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 144.64 7.08 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.175 -1.17 . . . . 0.45000000000000001 110.175 179.167 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.563 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.6 OUTLIER -81.71 -50.32 9.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.984 . . . . 3.1600000000000001 109.218 179.662 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.16 -40.56 81.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 2.2200000000000002 109.229 179.766 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.607 ' CB ' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.24 73.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.462 -0.774 . . . . 3.54 109.588 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -54.46 -58.28 8.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.517 -0.74 . . . . 0.5 109.596 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.49 -41.05 60.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.677 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.22 -51.75 62.17 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.251 -0.906 . . . . 1.1499999999999999 110.216 -179.295 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.59 -46.59 89.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 0.34000000000000002 108.954 -179.697 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -49.99 -42.31 48.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.324 179.611 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.09 -44.66 91.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.267 -0.896 . . . . 1.74 109.737 -179.833 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.65 -46.47 89.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.955 . . . . 1.0700000000000001 109.161 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.43 -50.43 73.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.483 -0.761 . . . . 1.22 109.547 179.914 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.39 -35.8 80.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 1.72 109.621 -179.934 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -55.97 27.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.414 -0.804 . . . . 1.0700000000000001 110.021 -179.696 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 1.0800000000000001 109.307 -179.766 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.89 -38.42 78.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.9099999999999999 109.111 179.85 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.58 -45.77 91.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.357 -0.839 . . . . 1.1499999999999999 108.853 179.715 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.91 -52.3 60.48 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.806 0.812 . . . . 2.1400000000000001 108.861 179.207 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -55.18 -34.78 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.27 -0.641 . . . . 1.4299999999999999 109.27 179.864 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.47 69.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 1.3 109.301 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 1.4199999999999999 109.407 179.946 . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.283 0.563 . . . . 1.6100000000000001 109.647 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.82 155.44 16.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.228 -0.92 . . . . 0.96999999999999997 109.835 -179.966 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.64 -175.0 3.98 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.83 . . . . 0.59999999999999998 108.989 179.71 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 36.0 p -152.46 118.24 5.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.162 -0.961 . . . . 1.1000000000000001 109.073 -179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -109.38 136.5 48.71 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.44 0.638 . . . . 1.1000000000000001 109.896 -178.707 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.74 128.77 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 1.3600000000000001 108.896 179.154 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.96 117.2 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 121.47 -0.769 . . . . 1.1699999999999999 109.414 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -76.04 155.8 34.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.597 -0.689 . . . . 2.79 109.929 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.66 7.07 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.187 -1.165 . . . . 0.47999999999999998 110.187 179.163 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.543 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.6 OUTLIER -81.72 -50.31 9.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -1.019 . . . . 3.2200000000000002 109.269 179.644 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.15 -40.56 81.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -0.809 . . . . 2.21 109.216 179.763 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.604 ' CB ' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.3 73.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.432 -0.793 . . . . 3.5499999999999998 109.512 -179.994 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.39 -58.26 8.1 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.428 -0.795 . . . . 0.52000000000000002 109.577 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.58 -40.94 60.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.254 -0.904 . . . . 1.6799999999999999 109.749 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.3 -51.62 62.58 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 110.275 -179.369 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.62 -46.57 89.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.091 -1.006 . . . . 0.33000000000000002 109.005 -179.731 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -50.01 -42.22 48.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 3.02 109.346 179.606 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.19 -44.52 92.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.75 109.762 -179.849 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.63 -46.49 89.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 109.223 179.764 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.51 -50.37 74.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 1.21 109.625 179.859 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.38 -35.87 80.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.543 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -55.98 27.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 1.0600000000000001 109.985 -179.669 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -60.64 -40.0 90.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 1.0800000000000001 109.328 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.94 -38.23 78.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.892 . . . . 1.9299999999999999 109.212 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.83 -45.65 91.63 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.804 -0.813 . . . . 1.1399999999999999 108.804 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.99 -52.32 60.14 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.853 -0.795 . . . . 2.1899999999999999 108.853 179.21 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.1 -34.82 64.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.323 -0.621 . . . . 1.4299999999999999 109.323 179.779 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 1.3100000000000001 109.293 179.903 . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.228 0.537 . . . . 2.1099999999999999 109.598 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.8 155.6 16.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.303 -0.873 . . . . 1.01 109.753 -179.936 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.72 -175.02 3.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.365 -0.834 . . . . 0.57999999999999996 108.935 179.694 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 36.1 p -152.43 118.28 5.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 1.1599999999999999 109.1 179.984 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.41 136.47 48.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.663 -0.648 . . . . 1.1699999999999999 109.876 -178.648 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.65 128.75 35.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.8100000000000001 108.902 179.09 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.98 117.1 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.487 -0.758 . . . . 1.1299999999999999 109.456 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.02 155.81 34.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.579 -0.701 . . . . 2.8199999999999998 109.945 -179.993 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.72 7.11 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.252 -1.139 . . . . 0.45000000000000001 110.252 179.214 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.6 OUTLIER -81.8 -50.35 9.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 3.0800000000000001 109.168 179.708 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -58.12 -40.52 81.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 2.54 109.227 179.789 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.607 ' CB ' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -50.25 73.41 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.42 -0.8 . . . . 4.1100000000000003 109.489 -179.964 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -54.43 -58.3 7.99 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.578 -0.701 . . . . 0.56999999999999995 109.581 -179.962 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.48 -41.04 60.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.753 -179.929 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.221 -0.924 . . . . 1.29 110.236 -179.345 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.48 -46.63 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.11 -0.994 . . . . 0.40000000000000002 109.021 -179.768 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -50.04 -42.23 49.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.8500000000000001 109.312 179.654 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.15 -44.62 92.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.78 109.763 -179.861 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.58 -46.61 89.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.149 -0.969 . . . . 1.1699999999999999 109.138 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.323 -0.861 . . . . 1.2 109.598 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 2.1200000000000001 109.558 -179.893 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.33 -56.05 27.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 1.0700000000000001 109.952 -179.661 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.67 -40.0 90.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.938 . . . . 1.1399999999999999 109.268 -179.667 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.97 -38.29 78.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.925 . . . . 2.0899999999999999 109.163 179.782 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.85 -45.52 92.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.824 . . . . 1.3799999999999999 108.783 179.785 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -64.04 -52.34 59.89 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.764 0.793 . . . . 2.6800000000000002 108.895 179.114 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.13 -34.73 64.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.35 -0.611 . . . . 1.3400000000000001 109.35 179.758 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 1.3 109.372 179.83 . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.241 0.543 . . . . 1.6699999999999999 109.595 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.91 155.52 16.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 1.01 109.776 -179.919 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.67 -175.0 3.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.409 -0.807 . . . . 0.63 108.98 179.656 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.42 118.49 5.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.23 -0.919 . . . . 1.1299999999999999 109.011 179.972 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.58 136.53 48.81 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.41 0.624 . . . . 1.1000000000000001 109.85 -178.722 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.71 128.68 35.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.375 -0.828 . . . . 1.3700000000000001 108.874 179.15 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.93 117.11 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.396 -0.815 . . . . 1.1499999999999999 109.472 -179.749 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -75.99 155.66 34.79 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.618 -0.676 . . . . 2.77 109.961 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.2 144.63 7.18 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.26 -1.136 . . . . 0.42999999999999999 110.26 179.196 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.6 OUTLIER -81.66 -50.42 9.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -1.058 . . . . 3.1200000000000001 109.227 179.663 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.03 -40.61 81.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.279 179.752 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.601 ' CB ' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -50.16 73.7 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.352 -0.843 . . . . 3.5 109.529 -179.98 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.54 -58.19 8.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.48 -0.762 . . . . 0.5 109.586 -179.97 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.48 -41.06 60.66 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.272 -0.893 . . . . 1.6899999999999999 109.718 -179.95 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -64.2 -51.75 62.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.173 -0.954 . . . . 1.1399999999999999 110.315 -179.343 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.61 -46.44 89.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.191 -0.943 . . . . 0.32000000000000001 109.072 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.11 -42.2 49.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.245 -0.91 . . . . 2.96 109.268 179.555 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.16 -44.57 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 1.75 109.734 -179.824 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.69 -46.47 89.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -0.921 . . . . 1.0800000000000001 109.148 179.856 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.48 -50.37 73.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.327 -0.858 . . . . 1.22 109.598 179.9 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.47 -35.74 80.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 1.73 109.586 -179.927 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.46 -55.85 29.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 110.051 -179.737 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.82 -39.91 90.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 1.1100000000000001 109.268 -179.705 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.95 -38.38 78.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.165 179.75 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.76 -45.55 92.15 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.788 -0.819 . . . . 1.1699999999999999 108.788 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -64.08 -52.21 60.35 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.751 0.786 . . . . 2.1499999999999999 108.898 179.151 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.16 -34.83 64.15 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 109.329 -0.619 . . . . 1.4399999999999999 109.329 179.742 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.55 69.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.3 109.336 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.345 -0.847 . . . . 1.3999999999999999 109.436 179.976 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.211 0.529 . . . . 1.7 109.685 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 38.3 m-85 -95.68 158.18 15.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.289 -0.882 . . . . 1.04 109.455 179.674 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -139.62 140.05 36.87 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.425 -0.797 . . . . 0.65000000000000002 108.961 179.428 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.75 161.33 13.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 1.1399999999999999 109.562 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.7 tp -148.55 134.02 18.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 1.0900000000000001 109.998 -179.411 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.08 131.63 34.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.483 -0.76 . . . . 1.3700000000000001 109.531 179.588 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.9 mt -124.12 117.02 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 N-CA-C 108.921 -0.77 . . . . 1.1499999999999999 108.921 179.725 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.45 148.79 38.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -0.845 . . . . 2.79 109.895 -179.841 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.99 139.85 5.41 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.131 -1.188 . . . . 0.45000000000000001 110.131 179.261 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -84.05 -46.27 12.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -1.051 . . . . 3.1600000000000001 109.283 179.743 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.01 -38.39 76.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 2.2200000000000002 109.07 179.813 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -61.8 -37.14 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.422 -0.799 . . . . 3.54 109.426 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -56.16 -52.08 65.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.451 -0.781 . . . . 0.5 109.792 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -52.52 -38.3 59.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.241 -0.912 . . . . 1.6599999999999999 109.794 -179.69 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.66 14.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.186 -0.946 . . . . 1.1499999999999999 110.238 -179.407 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.04 -44.07 97.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.34000000000000002 108.574 179.924 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.8 OUTLIER -51.49 -42.53 61.74 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.453 -0.78 . . . . 2.9399999999999999 109.454 179.541 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -60.03 -52.87 63.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.74 109.606 -179.796 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.12 -37.3 79.62 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.256 -0.902 . . . . 1.0700000000000001 108.579 179.638 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.36 -55.79 30.48 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.461 -0.774 . . . . 1.22 109.42 179.536 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.98 -32.88 74.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 1.72 109.519 179.911 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.35 69.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.605 -179.862 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.38 -47.68 84.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 1.0800000000000001 109.356 179.81 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.7 -35.98 73.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 1.9099999999999999 109.234 179.823 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.11 -49.02 73.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.333 179.84 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.6 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 2.1400000000000001 108.984 179.92 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.76 -34.11 67.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.482 179.742 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.6 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.339 -0.85 . . . . 1.3 109.716 -179.827 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.4199999999999999 109.536 -179.857 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.279 0.561 . . . . 1.6100000000000001 109.638 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.9 m-85 -95.69 158.13 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.218 -0.926 . . . . 0.96999999999999997 109.481 179.64 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.0 36.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.33 -0.856 . . . . 0.59999999999999998 109.032 179.406 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -97.74 161.43 13.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.269 -0.895 . . . . 1.1000000000000001 109.523 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.64 134.01 18.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.862 . . . . 1.1000000000000001 109.893 -179.353 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.49 34.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 1.3600000000000001 109.493 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 61.5 mt -123.91 116.99 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.942 -0.762 . . . . 1.1699999999999999 108.942 179.692 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 2.79 109.995 -179.937 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.86 5.47 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.119 -1.192 . . . . 0.47999999999999998 110.119 179.266 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -84.14 -46.19 12.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -1.046 . . . . 3.2200000000000002 109.327 179.719 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -58.1 -38.25 76.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 2.21 109.155 179.768 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -61.78 -37.14 83.23 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.379 -0.826 . . . . 3.5499999999999998 109.526 179.735 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.19 -52.09 65.66 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.778 . . . . 0.52000000000000002 109.754 -179.957 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.47 -38.38 59.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.76 -179.631 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.53 15.69 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 110.242 -179.326 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.14 -44.05 97.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 0.33000000000000002 108.493 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.407 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.8 OUTLIER -51.52 -42.62 61.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.434 -0.791 . . . . 3.02 109.345 179.59 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -60.06 -52.82 63.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -0.917 . . . . 1.75 109.58 -179.717 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.508 -0.923 . . . . 1.0700000000000001 108.508 179.618 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.26 -55.84 29.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.459 -0.776 . . . . 1.21 109.378 179.573 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.95 -32.89 74.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.524 179.967 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.55 -51.4 69.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.362 -0.836 . . . . 1.0600000000000001 109.641 -179.901 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.35 -47.76 84.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -0.873 . . . . 1.0800000000000001 109.331 179.832 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.178 -0.951 . . . . 1.9299999999999999 109.233 179.835 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.13 -49.12 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.399 -0.813 . . . . 1.1399999999999999 109.247 179.961 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.49 -43.41 98.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.411 -0.805 . . . . 2.1899999999999999 108.964 179.968 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.77 -34.21 67.38 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.597 -0.689 . . . . 1.4299999999999999 109.346 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.3100000000000001 109.712 -179.802 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.238 0.542 . . . . 2.1099999999999999 109.678 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.5 m-85 -95.71 158.21 15.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 1.01 109.46 179.666 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.63 140.03 36.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.25 -0.906 . . . . 0.57999999999999996 109.02 179.402 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 60.9 p -97.68 161.44 13.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 1.1599999999999999 109.552 -179.757 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.66 134.05 18.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 1.1699999999999999 109.959 -179.43 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.12 131.59 34.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.584 -0.698 . . . . 1.8100000000000001 109.506 179.584 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.02 117.03 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.957 -0.757 . . . . 1.1299999999999999 108.957 179.661 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.38 148.83 38.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.506 -0.746 . . . . 2.8199999999999998 109.971 -179.928 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.97 139.89 5.41 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.147 -1.181 . . . . 0.45000000000000001 110.147 179.276 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -84.1 -46.17 12.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -1.078 . . . . 3.0800000000000001 109.343 179.702 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -58.09 -38.27 76.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 2.54 109.083 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.78 -37.18 83.39 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.404 -0.81 . . . . 4.1100000000000003 109.451 179.785 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.08 -52.2 65.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.469 -0.77 . . . . 0.56999999999999995 109.738 -179.904 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.46 -38.38 59.16 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.745 -179.609 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.28 -56.66 14.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.199 -0.938 . . . . 1.29 110.218 -179.349 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.05 -44.17 97.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.981 -1.074 . . . . 0.40000000000000002 108.554 179.939 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.413 HH11 ' HB3' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -51.33 -42.62 61.36 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.548 -0.72 . . . . 3.8500000000000001 109.514 179.46 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.02 -52.83 63.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 1.78 109.612 -179.776 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.13 -37.35 79.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 1.1699999999999999 108.536 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.3 -55.8 30.31 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.459 -0.776 . . . . 1.2 109.383 179.571 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.06 -32.89 74.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.448 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.27 70.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.838 . . . . 1.0700000000000001 109.57 -179.836 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.4 -47.67 84.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.1399999999999999 109.347 179.825 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.7 -35.99 73.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.231 -0.918 . . . . 2.0899999999999999 109.196 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.09 -49.11 73.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 1.3799999999999999 109.283 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.52 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.433 -0.792 . . . . 2.6800000000000002 108.963 -179.992 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.78 -34.18 67.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.582 -0.699 . . . . 1.3400000000000001 109.444 179.794 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.309 -0.869 . . . . 1.3 109.705 -179.869 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.262 0.554 . . . . 1.6699999999999999 109.696 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 38.3 m-85 -95.73 158.16 15.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.182 -0.949 . . . . 1.01 109.433 179.65 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.6 140.1 36.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.63 108.964 179.405 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.1 p -97.76 161.31 13.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.273 -0.892 . . . . 1.1299999999999999 109.525 -179.771 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.56 134.06 18.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.176 -0.953 . . . . 1.1000000000000001 109.884 -179.405 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.58 34.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.498 -0.751 . . . . 1.3700000000000001 109.481 179.555 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.7 mt -123.99 116.99 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.948 -0.76 . . . . 1.1499999999999999 108.948 179.665 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.456 -0.778 . . . . 2.77 110.002 -179.912 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.05 139.83 5.44 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.105 -1.198 . . . . 0.42999999999999999 110.105 179.285 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -84.08 -46.21 12.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -1.143 . . . . 3.1200000000000001 109.303 179.727 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.08 -38.27 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.108 179.797 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -61.86 -37.15 83.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.375 -0.828 . . . . 3.5 109.413 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.09 -52.17 65.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.504 -0.748 . . . . 0.5 109.767 -179.961 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.44 -38.39 59.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.6899999999999999 109.78 -179.664 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttp -63.24 -56.58 15.42 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.251 -0.906 . . . . 1.1399999999999999 110.3 -179.376 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -44.03 97.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.007 -1.058 . . . . 0.32000000000000001 108.534 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.406 ' HB3' HH11 ' D' ' 342' ' ' ARG . 0.8 OUTLIER -51.42 -42.56 61.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.498 -0.751 . . . . 2.96 109.433 179.491 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.96 -52.96 63.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 1.75 109.59 -179.797 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.08 -37.31 79.53 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.927 . . . . 1.0800000000000001 108.57 179.647 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.38 -55.78 30.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.495 -0.753 . . . . 1.22 109.391 179.556 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.99 -32.98 74.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.345 -0.847 . . . . 1.73 109.442 179.941 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.36 69.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 1.0700000000000001 109.634 -179.823 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.35 -47.62 85.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.1100000000000001 109.394 179.778 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -58.76 -36.03 73.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 1.9099999999999999 109.155 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.03 -49.15 73.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.368 -0.832 . . . . 1.1699999999999999 109.26 179.893 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.56 -43.39 98.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.292 -0.88 . . . . 2.1499999999999999 108.977 179.977 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.73 -34.18 67.26 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.458 179.76 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.68 82.83 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.3 109.75 -179.834 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.85 . . . . 1.3999999999999999 109.574 -179.896 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 1.7 109.493 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -97.65 149.4 22.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.203 -0.936 . . . . 1.04 110.05 -179.812 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -138.98 138.6 37.43 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.545 -0.909 . . . . 0.65000000000000002 108.545 179.059 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.9 p -98.03 163.96 12.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.396 -0.815 . . . . 1.1399999999999999 109.249 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.84 131.36 15.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 1.0900000000000001 109.859 -179.184 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.18 127.23 34.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 1.3700000000000001 108.838 179.52 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.33 113.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.458 -0.777 . . . . 1.1499999999999999 109.659 -179.512 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.413 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.44 32.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 2.79 109.808 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 134.57 3.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.016 -1.234 . . . . 0.45000000000000001 110.016 179.442 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.94 -48.81 11.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -1.133 . . . . 3.1600000000000001 109.211 179.66 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.62 -42.43 88.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.154 179.77 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.81 . . . . 3.54 109.257 179.865 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -55.38 -56.48 19.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.559 -0.713 . . . . 0.5 109.541 179.897 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.24 -38.94 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.328 -0.858 . . . . 1.6599999999999999 109.781 -179.625 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.12 -54.22 41.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 110.079 -179.454 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.83 -45.76 93.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.34000000000000002 108.972 -179.986 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.354 -0.841 . . . . 2.9399999999999999 109.284 179.869 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.21 -51.88 64.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 1.74 109.498 179.754 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.15 -35.93 74.38 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.695 -0.854 . . . . 1.0700000000000001 108.695 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.47 -56.97 15.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.475 -0.766 . . . . 1.22 109.225 179.453 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.01 -29.48 70.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 1.72 109.716 -179.968 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.5 -55.23 37.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.944 -179.581 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.66 -40.72 93.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 1.0800000000000001 109.405 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.72 -36.19 78.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.473 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.24 -52.85 56.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 109.124 179.994 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.93 -47.32 85.42 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 2.1400000000000001 109.052 179.689 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -35.66 71.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.054 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.42 72.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.339 -0.851 . . . . 1.3 109.513 -179.989 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.296 -0.877 . . . . 1.4199999999999999 109.725 -179.825 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.473 -0.565 . . . . 1.6100000000000001 109.473 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -97.72 149.38 22.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.29 -0.881 . . . . 0.96999999999999997 110.059 -179.791 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.47 37.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.552 -0.907 . . . . 0.59999999999999998 108.552 179.156 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -97.98 163.82 12.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.295 -179.873 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -148.64 131.47 16.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 1.1000000000000001 109.907 -179.249 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.14 127.19 34.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 1.3600000000000001 108.878 179.471 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.79 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.518 -0.739 . . . . 1.1699999999999999 109.634 -179.509 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.4 HH11 ' CG ' ' B' ' 333' ' ' ARG . 1.1 ttt-85 -76.82 155.43 33.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 2.79 109.752 179.717 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.06 134.51 3.11 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.036 -1.225 . . . . 0.47999999999999998 110.036 179.391 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.63 12.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -1.122 . . . . 3.2200000000000002 109.247 179.689 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.83 -42.38 89.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 2.21 109.083 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.77 -43.63 97.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 3.5499999999999998 109.278 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.39 -56.47 19.71 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.527 -0.733 . . . . 0.52000000000000002 109.522 179.854 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.27 -38.88 28.64 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.834 -179.635 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.1 -54.21 41.45 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.218 -0.926 . . . . 1.1499999999999999 110.078 -179.455 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.87 -45.82 93.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.119 -0.988 . . . . 0.33000000000000002 108.903 -179.927 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.53 -40.24 59.27 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.428 -0.795 . . . . 3.02 109.281 179.906 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -63.17 -51.88 64.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.091 -1.006 . . . . 1.75 109.526 179.782 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.05 -35.94 74.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 1.0700000000000001 108.674 179.871 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.63 -56.86 16.72 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.52 -0.737 . . . . 1.21 109.2 179.601 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.01 -29.57 70.71 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.333 -0.854 . . . . 1.6899999999999999 109.633 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.46 -55.28 37.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.907 . . . . 1.0600000000000001 109.958 -179.524 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.66 -40.61 92.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.457 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.8 -36.25 78.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.418 179.873 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.18 -52.8 57.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 1.1399999999999999 109.044 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -62.01 -47.39 84.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.389 -0.82 . . . . 2.1899999999999999 109.025 179.745 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -35.71 71.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.093 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.424 0 O-C-N 121.307 -0.871 . . . . 1.3100000000000001 109.539 -179.983 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.475 -0.565 . . . . 2.1099999999999999 109.475 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.63 149.45 22.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.214 -0.929 . . . . 1.01 110.065 -179.862 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.65 37.32 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.485 -0.931 . . . . 0.57999999999999996 108.485 179.069 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -98.11 163.83 12.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.285 -0.885 . . . . 1.1599999999999999 109.28 -179.915 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.72 131.51 16.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.174 -0.954 . . . . 1.1699999999999999 109.91 -179.292 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.16 127.28 34.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 1.8100000000000001 108.828 179.525 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.47 113.79 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.55 -0.719 . . . . 1.1299999999999999 109.584 -179.508 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -76.86 155.5 32.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 2.8199999999999998 109.735 179.735 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.04 134.49 3.09 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.053 -1.219 . . . . 0.45000000000000001 110.053 179.441 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.86 -48.81 11.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -1.081 . . . . 3.0800000000000001 109.201 179.674 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.71 -42.35 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.336 -0.852 . . . . 2.54 109.113 179.806 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.377 -0.827 . . . . 4.1100000000000003 109.199 179.84 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -55.4 -56.44 20.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.538 -0.726 . . . . 0.56999999999999995 109.505 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.2 -39.0 28.0 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.804 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.11 -54.24 40.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.245 -0.91 . . . . 1.29 110.079 -179.439 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.66 -45.92 92.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.40000000000000002 108.923 -179.969 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.5 -40.26 59.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.4 -0.813 . . . . 3.8500000000000001 109.335 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.13 -51.88 64.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.0 -1.063 . . . . 1.78 109.545 179.694 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.16 -35.91 74.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 108.673 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -58.6 -56.87 16.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.458 -0.776 . . . . 1.2 109.214 179.545 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.08 -29.52 70.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.684 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.51 -55.12 39.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.303 -0.873 . . . . 1.0700000000000001 110.069 -179.618 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.74 -40.56 92.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -0.993 . . . . 1.1399999999999999 109.446 -179.852 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -60.8 -36.24 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 2.0899999999999999 109.51 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.21 -52.82 56.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 1.3799999999999999 109.044 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.98 -47.32 85.36 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.452 -0.78 . . . . 2.6800000000000002 109.079 179.73 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -35.73 71.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.498 -0.751 . . . . 1.3400000000000001 109.074 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.389 -0.819 . . . . 1.3 109.527 -179.974 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.481 -0.563 . . . . 1.6699999999999999 109.481 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.69 149.39 22.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 1.01 110.058 -179.832 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.01 138.53 37.3 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.56 -0.904 . . . . 0.63 108.56 179.11 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -97.92 163.87 12.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.313 -0.867 . . . . 1.1299999999999999 109.303 -179.909 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -148.74 131.46 15.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.175 -0.953 . . . . 1.1000000000000001 109.872 -179.315 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.05 127.21 34.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.3700000000000001 108.902 179.433 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.77 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.519 -0.738 . . . . 1.1499999999999999 109.593 -179.526 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -76.87 155.45 32.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 2.77 109.788 179.62 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 134.61 3.14 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.996 -1.242 . . . . 0.42999999999999999 109.996 179.378 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.71 11.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -1.107 . . . . 3.1200000000000001 109.242 179.686 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.81 -42.28 88.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.319 -0.863 . . . . 2.2200000000000002 109.14 179.818 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.358 -0.838 . . . . 3.5 109.253 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.42 -56.45 20.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.49 -0.756 . . . . 0.5 109.507 179.983 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.21 -38.87 27.7 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.867 -179.659 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.24 -54.1 42.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 1.1399999999999999 110.085 -179.487 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.83 -45.79 93.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.32000000000000001 108.985 -179.976 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.23 59.32 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.371 -0.83 . . . . 2.96 109.31 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.052 -1.03 . . . . 1.75 109.545 179.728 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.1 -36.0 74.39 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 108.693 179.831 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -58.47 -56.96 15.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.47 -0.769 . . . . 1.22 109.301 179.449 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.05 -29.48 70.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 1.73 109.765 179.97 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.32 36.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.942 -179.629 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.55 -40.77 92.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 1.1100000000000001 109.395 -179.776 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -60.73 -36.28 78.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.209 -0.932 . . . . 1.9099999999999999 109.464 179.918 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.09 -52.93 56.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -0.82 . . . . 1.1699999999999999 109.063 -179.995 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.94 -47.36 85.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.417 -0.802 . . . . 2.1499999999999999 109.05 179.762 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.96 -35.75 71.59 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.028 -0.73 . . . . 1.4399999999999999 109.028 179.673 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.43 72.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.318 -0.864 . . . . 1.3 109.512 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.3 -0.875 . . . . 1.3999999999999999 109.7 -179.773 . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.246 0.546 . . . . 1.7 109.584 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -93.95 154.37 17.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.25 -0.906 . . . . 1.04 109.464 179.849 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -141.22 137.12 32.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.357 -0.839 . . . . 0.65000000000000002 108.978 179.426 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.86 164.76 12.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.436 -0.79 . . . . 1.1399999999999999 109.313 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.09 131.84 15.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 1.0900000000000001 109.602 -179.706 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.43 127.35 33.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.105 179.621 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.95 115.46 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.592 -0.692 . . . . 1.1499999999999999 109.563 -179.607 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.35 151.05 38.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 2.79 109.977 179.716 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.62 4.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.351 -1.1 . . . . 0.45000000000000001 110.351 179.172 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.03 -44.76 12.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.416 -1.05 . . . . 3.1600000000000001 109.22 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.22 -46.11 86.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.153 -0.967 . . . . 2.2200000000000002 109.083 179.782 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.34 -0.85 . . . . 3.54 109.429 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -54.08 -55.75 24.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.387 -0.821 . . . . 0.5 109.321 179.919 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.52 -36.05 54.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.499 -179.828 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -51.95 63.73 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.338 -0.851 . . . . 1.1499999999999999 110.056 -179.48 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -41.57 95.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.34000000000000002 108.978 -179.85 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.7 -43.22 62.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 2.9399999999999999 109.207 179.603 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 351' ' ' LYS . 9.9 tp10 -60.08 -52.05 66.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.351 -0.843 . . . . 1.74 109.614 179.92 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 108.855 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.07 -55.92 28.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.392 -0.817 . . . . 1.22 109.433 179.452 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.44 ' CB ' ' HZ2' ' B' ' 351' ' ' LYS . 97.7 mt-10 -63.67 -32.71 74.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.837 . . . . 1.72 110.026 -179.828 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.59 -52.75 64.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 109.987 -179.481 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.66 -43.75 98.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.184 -0.947 . . . . 1.0800000000000001 109.464 -179.878 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.72 -33.56 70.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.9099999999999999 109.56 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.34 -54.33 30.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 109.407 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.501 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.69 86.82 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.326 -0.859 . . . . 2.1400000000000001 108.987 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -56.99 -42.14 79.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.694 . . . . 1.4299999999999999 109.583 179.584 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -22.37 65.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 1.3 109.758 -179.687 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 1.4199999999999999 109.474 179.882 . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.307 0.575 . . . . 1.6100000000000001 109.518 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -93.81 154.28 17.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.96999999999999997 109.592 179.768 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.12 137.11 32.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.348 -0.845 . . . . 0.59999999999999998 109.002 179.391 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -94.77 164.66 12.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -0.83 . . . . 1.1000000000000001 109.3 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -150.12 131.91 15.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.217 -0.927 . . . . 1.1000000000000001 109.589 -179.715 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.45 127.14 33.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 1.3600000000000001 109.082 179.721 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.82 115.49 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.642 -0.661 . . . . 1.1699999999999999 109.564 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -75.56 150.92 37.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.43 -0.794 . . . . 2.79 109.893 179.819 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.21 137.73 4.16 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.364 -1.094 . . . . 0.47999999999999998 110.364 179.261 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.13 -44.67 12.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.527 -0.984 . . . . 3.2200000000000002 109.258 179.561 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.24 -45.99 86.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 2.21 109.101 179.741 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.53 -41.6 98.98 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.359 -0.838 . . . . 3.5499999999999998 109.4 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.08 -55.85 23.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 0.52000000000000002 109.289 179.929 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.41 -36.01 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 1.6799999999999999 109.613 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.51 -51.93 63.41 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.322 -0.861 . . . . 1.1499999999999999 110.001 -179.429 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.65 -41.61 95.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.006 . . . . 0.33000000000000002 108.977 -179.904 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.84 -43.05 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 3.02 109.24 179.681 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.501 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 9.9 tp10 -60.0 -52.18 66.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 1.75 109.576 179.887 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.17 -39.54 86.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 1.0700000000000001 108.887 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.08 -55.88 29.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.404 -0.81 . . . . 1.21 109.43 179.455 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.68 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 1.6899999999999999 109.991 -179.809 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.79 63.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 1.0600000000000001 110.037 -179.539 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.59 -43.8 98.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 1.0800000000000001 109.498 -179.92 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -33.54 70.35 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.595 -179.997 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.33 -54.28 31.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.27 -0.893 . . . . 1.1399999999999999 109.431 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.78 87.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.329 -0.857 . . . . 2.1899999999999999 108.994 179.812 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.99 -41.96 79.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.461 -0.775 . . . . 1.4299999999999999 109.568 179.655 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.845 . . . . 1.3100000000000001 109.744 -179.712 . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.653 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -93.73 154.26 17.88 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.235 -0.915 . . . . 1.01 109.597 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -141.17 137.14 32.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.341 -0.849 . . . . 0.57999999999999996 109.013 179.352 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -94.77 164.67 12.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.809 . . . . 1.1599999999999999 109.297 -179.893 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.08 131.91 15.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 1.1699999999999999 109.627 -179.775 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -84.45 127.2 33.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 1.8100000000000001 109.068 179.702 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.93 115.39 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.581 -0.699 . . . . 1.1299999999999999 109.564 -179.631 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -75.4 151.02 38.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.529 -0.732 . . . . 2.8199999999999998 109.953 179.798 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 137.58 4.05 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.436 -1.066 . . . . 0.45000000000000001 110.436 179.307 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -85.05 -44.68 12.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.357 -1.084 . . . . 3.0800000000000001 109.262 179.508 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.2 -46.12 86.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.06 -1.025 . . . . 2.54 109.084 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.52 -41.49 98.89 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.443 179.875 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.07 -55.81 23.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.487 -0.758 . . . . 0.56999999999999995 109.348 179.805 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.51 -36.01 54.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.594 -179.873 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.36 -52.0 63.59 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.341 -0.85 . . . . 1.29 110.065 -179.508 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.6 -41.61 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.173 -0.954 . . . . 0.40000000000000002 109.083 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.71 -43.22 62.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.893 . . . . 3.8500000000000001 109.256 179.627 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.517 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 9.9 tp10 -59.89 -52.15 66.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 1.78 109.607 179.86 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.2 -39.56 86.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 108.869 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.14 -55.79 30.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.434 -0.791 . . . . 1.2 109.423 179.484 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.71 -32.69 74.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 2.1200000000000001 109.991 -179.835 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.84 63.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 1.0700000000000001 110.006 -179.578 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.61 -43.81 98.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 1.1399999999999999 109.491 -179.856 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.76 -33.52 70.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 2.0899999999999999 109.549 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.36 -54.25 31.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 1.3799999999999999 109.383 -179.808 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.449 ' HZ2' ' CB ' ' D' ' 346' ' ' GLU . 31.7 ttmt -61.05 -38.67 87.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.389 -0.819 . . . . 2.6800000000000002 108.994 179.888 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.06 -41.91 79.59 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.554 179.656 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 1.3 109.632 -179.71 . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.22 0.533 . . . . 1.6699999999999999 109.619 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.86 154.39 17.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 1.01 109.492 179.812 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.25 137.07 32.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.325 -0.859 . . . . 0.63 109.074 179.365 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.8 164.74 12.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.412 -0.805 . . . . 1.1299999999999999 109.26 -179.93 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -150.21 131.84 14.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 1.1000000000000001 109.587 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.4 127.32 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 109.125 179.652 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.0 115.52 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.558 -0.714 . . . . 1.1499999999999999 109.535 -179.612 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.45 151.02 38.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.486 -0.758 . . . . 2.77 109.921 179.755 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.61 4.04 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.406 -1.077 . . . . 0.42999999999999999 110.406 179.253 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.11 -44.54 12.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -1.019 . . . . 3.1200000000000001 109.265 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.39 -46.0 87.22 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -0.933 . . . . 2.2200000000000002 109.067 179.711 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.45 -41.65 98.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.505 -0.747 . . . . 3.5 109.417 179.774 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.03 -55.84 23.57 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.347 -0.846 . . . . 0.5 109.324 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -52.48 -36.01 54.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.6899999999999999 109.518 -179.863 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.44 -51.97 63.44 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.285 -0.884 . . . . 1.1399999999999999 110.031 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.32000000000000001 109.051 -179.912 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.74 -43.15 62.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 2.96 109.247 179.602 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.425 ' OE2' ' NZ ' ' C' ' 351' ' ' LYS . 9.9 tp10 -60.09 -52.15 66.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.296 -0.878 . . . . 1.75 109.516 179.931 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.05 -39.68 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 108.864 179.873 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -59.11 -55.84 29.87 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.43 -0.794 . . . . 1.22 109.422 179.566 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.449 ' CB ' ' HZ2' ' C' ' 351' ' ' LYS . 97.5 mt-10 -63.76 -32.5 74.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.73 110.072 -179.851 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.69 -52.71 64.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.962 -179.536 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.71 -43.73 98.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -0.921 . . . . 1.1100000000000001 109.41 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.77 -33.55 70.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.531 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.4 -54.28 31.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 1.1699999999999999 109.418 -179.784 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.517 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 31.4 ttmt -60.95 -38.77 87.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.335 -0.853 . . . . 2.1499999999999999 108.905 179.838 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.97 -42.04 79.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.603 179.641 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.45 65.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 1.3 109.681 -179.637 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 1.3999999999999999 109.397 179.937 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.414 -0.587 . . . . 1.7 109.414 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -94.87 149.22 21.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.228 -0.92 . . . . 1.04 110.126 -179.669 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.58 135.13 29.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.378 -0.826 . . . . 0.65000000000000002 108.852 178.918 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.7 p -96.75 162.79 13.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.299 -0.876 . . . . 1.1399999999999999 109.369 -179.87 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -149.47 131.06 14.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.153 -0.967 . . . . 1.0900000000000001 109.736 -179.644 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.81 126.42 33.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 1.3700000000000001 109.023 179.63 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.2 mt -124.08 114.62 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 121.611 -0.681 . . . . 1.1499999999999999 109.568 -179.626 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.05 154.92 35.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.852 . . . . 2.79 109.737 179.717 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.93 136.42 2.23 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.317 -1.113 . . . . 0.45000000000000001 110.317 179.221 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.49 -42.99 16.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -1.09 . . . . 3.1600000000000001 109.24 179.529 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.64 -47.43 84.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 2.2200000000000002 109.119 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.76 -42.75 98.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.352 -0.842 . . . . 3.54 109.217 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.93 -56.13 23.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.534 -0.729 . . . . 0.5 109.473 179.904 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.79 -37.92 53.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 1.6599999999999999 109.782 -179.846 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.92 -51.39 67.12 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.886 . . . . 1.1499999999999999 109.953 -179.545 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.34000000000000002 108.831 -179.961 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.16 -43.65 61.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.359 -0.838 . . . . 2.9399999999999999 109.282 179.523 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.73 -51.09 71.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 1.74 109.777 -179.913 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.32 -38.11 85.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 1.0700000000000001 108.864 179.726 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.12 50.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.439 -0.788 . . . . 1.22 109.299 179.611 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -62.97 -34.11 76.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.72 109.605 179.993 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.74 64.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 110.013 -179.562 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.61 -45.51 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.424 -179.821 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.18 73.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 1.9099999999999999 109.216 179.805 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.74 -47.68 77.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.654 -179.893 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.8 -40.22 96.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 2.1400000000000001 109.035 179.666 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.09 -37.46 69.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.502 -0.749 . . . . 1.4299999999999999 109.23 179.656 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.87 82.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.343 -0.848 . . . . 1.3 109.534 179.886 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 1.4199999999999999 109.519 -179.864 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.431 -0.581 . . . . 1.6100000000000001 109.431 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.8 149.21 21.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.241 -0.912 . . . . 0.96999999999999997 110.207 -179.639 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.6 135.2 29.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.59999999999999998 108.826 178.912 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -96.79 162.88 13.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 109.367 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.48 130.96 14.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.177 -0.952 . . . . 1.1000000000000001 109.808 -179.657 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.73 126.4 33.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.032 179.629 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.97 114.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.555 -0.716 . . . . 1.1699999999999999 109.637 -179.73 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -75.99 154.98 35.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 2.79 109.763 179.758 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.9 136.45 2.23 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.348 -1.101 . . . . 0.47999999999999998 110.348 179.278 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -83.44 -43.1 16.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -1.064 . . . . 3.2200000000000002 109.233 179.437 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.65 -47.35 84.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.184 -0.948 . . . . 2.21 109.135 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.66 98.15 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.38 -0.825 . . . . 3.5499999999999998 109.216 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.97 -56.15 22.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.464 -0.773 . . . . 0.52000000000000002 109.403 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.81 -37.94 53.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.32 -0.862 . . . . 1.6799999999999999 109.787 -179.79 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.82 -51.49 66.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.963 -179.569 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.09 -43.43 98.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.149 -0.969 . . . . 0.33000000000000002 108.891 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.25 -43.55 61.54 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.361 -0.837 . . . . 3.02 109.295 179.516 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.07 71.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 1.75 109.71 -179.852 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.29 -38.16 85.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 108.852 179.768 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.61 -54.04 51.58 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 1.21 109.343 179.6 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.02 -34.06 76.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.672 179.901 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.79 64.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.895 . . . . 1.0600000000000001 109.978 -179.593 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.7 mt -61.58 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.139 -0.976 . . . . 1.0800000000000001 109.455 -179.803 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.3 -35.27 73.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 1.9299999999999999 109.141 179.859 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.66 77.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 1.1399999999999999 109.614 -179.829 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.1899999999999999 108.962 179.694 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.03 -37.49 69.27 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.185 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.375 -0.828 . . . . 1.3100000000000001 109.539 179.948 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.373 -0.602 . . . . 2.1099999999999999 109.373 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -94.88 149.23 21.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.206 -0.934 . . . . 1.01 110.158 -179.581 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.58 135.3 29.93 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.767 -0.827 . . . . 0.57999999999999996 108.767 178.989 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.4 p -96.84 162.93 13.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.374 -0.829 . . . . 1.1599999999999999 109.387 -179.849 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.61 131.04 14.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 109.685 -179.623 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.85 126.48 33.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 1.8100000000000001 108.976 179.623 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.3 mt -124.03 114.66 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.581 -0.7 . . . . 1.1299999999999999 109.582 -179.645 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.9 35.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.397 -0.814 . . . . 2.8199999999999998 109.765 179.692 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.98 136.54 2.28 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.334 -1.106 . . . . 0.45000000000000001 110.334 179.269 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.59 -43.07 16.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -1.095 . . . . 3.0800000000000001 109.184 179.511 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.6 -47.55 83.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 2.54 109.083 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.64 -42.84 97.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.339 -0.85 . . . . 4.1100000000000003 109.18 179.807 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.78 -56.2 21.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.47 -0.769 . . . . 0.56999999999999995 109.481 179.917 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.91 -37.81 53.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.339 -0.85 . . . . 1.6599999999999999 109.795 -179.793 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.86 -51.48 66.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.264 -0.897 . . . . 1.29 109.928 -179.607 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.51 98.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.40000000000000002 108.82 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.18 -43.66 61.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.236 -0.915 . . . . 3.8500000000000001 109.274 179.551 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.77 -51.09 71.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.338 -0.851 . . . . 1.78 109.739 -179.878 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.3 -38.16 85.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 1.1699999999999999 108.859 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.06 51.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.336 -0.852 . . . . 1.2 109.353 179.582 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.05 -33.95 76.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.658 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.68 64.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 1.0700000000000001 110.015 -179.622 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.61 -45.47 93.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.885 . . . . 1.1399999999999999 109.479 -179.859 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.23 73.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 2.0899999999999999 109.186 179.75 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.69 -47.79 77.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.405 -0.809 . . . . 1.3799999999999999 109.639 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.68 -40.31 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.277 -0.889 . . . . 2.6800000000000002 109.046 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.1 -37.4 69.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.623 -0.673 . . . . 1.3400000000000001 109.219 179.716 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.375 -0.828 . . . . 1.3 109.573 179.841 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.374 -0.602 . . . . 1.6699999999999999 109.374 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.84 149.32 21.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.168 -0.957 . . . . 1.01 110.094 -179.594 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.67 135.33 29.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.853 . . . . 0.63 108.746 178.933 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.1 p -96.86 162.79 13.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.367 -0.833 . . . . 1.1299999999999999 109.352 -179.862 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.49 131.09 14.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 1.1000000000000001 109.78 -179.721 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.83 126.46 33.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 1.3700000000000001 108.918 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.4 mt -124.04 114.64 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.522 -0.736 . . . . 1.1499999999999999 109.655 -179.714 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.87 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.308 -0.87 . . . . 2.77 109.788 179.773 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.87 136.53 2.23 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.353 -1.099 . . . . 0.42999999999999999 110.353 179.292 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.55 -42.99 16.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -1.059 . . . . 3.1200000000000001 109.239 179.55 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.59 -47.39 84.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.191 -0.943 . . . . 2.2200000000000002 109.186 179.752 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.74 98.28 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.389 -0.819 . . . . 3.5 109.163 179.839 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.91 -56.09 23.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.58 -0.7 . . . . 0.5 109.481 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.93 -37.88 54.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.764 -179.776 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.84 -51.38 67.23 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.167 -0.958 . . . . 1.1399999999999999 109.999 -179.591 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.15 -43.44 98.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.32000000000000001 108.856 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.21 -43.53 61.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.294 -0.879 . . . . 2.96 109.332 179.515 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.04 71.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.335 -0.853 . . . . 1.75 109.746 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.35 -38.13 85.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 108.847 179.781 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.57 -54.1 50.91 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 1.22 109.352 179.575 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.389 -0.82 . . . . 1.73 109.621 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.77 64.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.314 -0.867 . . . . 1.0700000000000001 109.975 -179.582 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.56 -45.48 93.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 1.1100000000000001 109.506 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.18 -35.33 73.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 1.9099999999999999 109.182 179.753 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.59 77.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 1.1699999999999999 109.677 -179.848 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.71 -40.33 96.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 2.1499999999999999 109.031 179.598 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.07 -37.48 69.38 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.586 -0.696 . . . . 1.4399999999999999 109.232 179.722 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 1.3 109.546 179.929 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.913 . . . . 1.3999999999999999 109.545 -179.897 . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.539 -0.541 . . . . 1.7 109.539 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.65 156.16 16.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.307 -0.871 . . . . 1.04 110.016 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.83 -169.15 2.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.613 -0.679 . . . . 0.65000000000000002 109.393 -179.907 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -151.5 148.55 28.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.26 -0.9 . . . . 1.1399999999999999 109.012 -179.859 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -142.0 135.63 29.48 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.352 -0.843 . . . . 1.0900000000000001 109.677 -178.956 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.74 131.48 34.32 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.468 -0.938 . . . . 1.3700000000000001 108.468 178.971 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.62 116.28 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.423 -0.798 . . . . 1.1499999999999999 109.367 -179.545 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -75.39 149.59 38.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.5 -0.75 . . . . 2.79 109.899 -179.93 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.85 134.28 2.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.138 -1.185 . . . . 0.45000000000000001 110.138 179.46 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.576 HH11 ' CG ' ' A' ' 335' ' ' ARG . 0.3 OUTLIER -81.39 -45.71 15.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.085 . . . . 3.1600000000000001 109.249 179.549 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.75 -41.18 85.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 108.926 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -63.53 -40.34 96.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.381 -0.824 . . . . 3.54 109.158 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -55.3 -54.9 37.68 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.505 -0.747 . . . . 0.5 109.698 -179.988 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.11 -37.07 52.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.75 -179.91 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.55 -51.3 67.9 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.161 -179.496 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -44.9 96.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.189 -0.944 . . . . 0.34000000000000002 109.085 -179.898 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.31 -39.17 56.34 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.272 -0.892 . . . . 2.9399999999999999 109.329 179.768 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.03 -53.96 50.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.74 109.854 -179.836 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.37 -39.5 87.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 108.688 179.703 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.99 -55.23 37.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.538 -0.726 . . . . 1.22 109.385 179.629 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.64 -34.33 77.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 1.72 109.652 -179.94 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.5 73.71 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.307 -0.871 . . . . 1.0700000000000001 109.674 -179.79 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.36 -46.18 89.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.314 179.854 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.97 -32.43 69.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.492 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.12 -52.79 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.332 -0.855 . . . . 1.1499999999999999 109.215 179.943 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.377 -0.827 . . . . 2.1400000000000001 109.122 179.873 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.45 68.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.583 -0.698 . . . . 1.4299999999999999 109.546 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -36.79 82.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.88 . . . . 1.3 109.803 -179.638 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.24 -0.912 . . . . 1.4199999999999999 109.544 -179.851 . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.472 -0.566 . . . . 1.6100000000000001 109.472 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -94.65 156.22 16.51 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.96999999999999997 109.935 -179.861 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.83 -169.12 2.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.495 -0.753 . . . . 0.59999999999999998 109.42 -179.986 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.0 p -151.54 148.54 28.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.142 -0.974 . . . . 1.1000000000000001 109.001 -179.835 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.03 135.65 29.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.71 -178.965 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.76 131.47 34.31 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.438 -0.949 . . . . 1.3600000000000001 108.438 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.54 116.19 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.502 -0.749 . . . . 1.1699999999999999 109.492 -179.62 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -75.3 149.55 38.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.501 -0.749 . . . . 2.79 109.9 -179.924 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.28 2.97 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.11 -1.196 . . . . 0.47999999999999998 110.11 179.422 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -81.33 -45.87 15.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -1.058 . . . . 3.2200000000000002 109.158 179.613 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.77 -41.07 85.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.102 -0.999 . . . . 2.21 108.947 179.677 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -63.65 -40.25 96.4 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.33 -0.856 . . . . 3.5499999999999998 109.125 179.667 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -55.41 -54.87 38.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.593 -0.692 . . . . 0.52000000000000002 109.598 -179.885 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.09 -37.11 52.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.723 -179.884 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.46 -51.34 67.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.902 . . . . 1.1499999999999999 110.2 -179.534 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.32 -44.8 96.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.33000000000000002 109.116 -179.923 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.36 -39.2 56.61 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.228 -0.92 . . . . 3.02 109.236 179.765 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.1 -54.03 49.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 1.75 109.783 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.28 -39.53 87.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.065 -1.022 . . . . 1.0700000000000001 108.651 179.737 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.97 -55.28 37.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 1.21 109.398 179.661 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.63 -34.23 77.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.584 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.55 73.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.268 -0.895 . . . . 1.0600000000000001 109.599 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.28 -46.26 89.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 1.0800000000000001 109.327 179.868 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.75 -32.66 69.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 1.9299999999999999 109.449 -179.957 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.08 -52.8 53.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 1.1399999999999999 109.169 -179.945 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.18 89.73 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.328 -0.858 . . . . 2.1899999999999999 109.15 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.44 68.9 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.534 -0.729 . . . . 1.4299999999999999 109.481 179.88 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 1.3100000000000001 109.763 -179.618 . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.524 -0.547 . . . . 2.1099999999999999 109.524 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.59 156.22 16.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.138 -0.976 . . . . 1.01 109.947 -179.869 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.88 -169.07 2.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.565 -0.71 . . . . 0.57999999999999996 109.399 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.5 p -151.61 148.5 28.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 1.1599999999999999 108.936 -179.785 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.6 tp -142.0 135.69 29.54 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.344 -0.847 . . . . 1.1699999999999999 109.705 -179.041 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.81 131.48 34.3 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.52 116.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.451 -0.781 . . . . 1.1299999999999999 109.402 -179.587 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -75.36 149.5 38.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.638 -0.664 . . . . 2.8199999999999998 109.897 -179.984 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.23 2.96 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.15 -1.18 . . . . 0.45000000000000001 110.15 179.4 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -81.21 -45.89 15.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -1.096 . . . . 3.0800000000000001 109.242 179.588 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.72 -41.07 85.54 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.135 -0.978 . . . . 2.54 108.959 179.672 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.69 -40.26 96.37 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 4.1100000000000003 109.113 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -55.25 -55.01 36.27 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.541 -0.724 . . . . 0.56999999999999995 109.591 -179.934 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.08 -37.06 52.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.783 -179.855 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.5 -51.42 67.49 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.247 -0.908 . . . . 1.29 110.118 -179.507 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.27 -44.89 96.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.179 -0.951 . . . . 0.40000000000000002 109.053 -179.821 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.27 -39.26 56.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 3.8500000000000001 109.298 179.705 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.06 -54.01 50.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.78 109.849 -179.795 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.27 -39.54 87.21 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.193 -0.942 . . . . 1.1699999999999999 108.704 179.67 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.95 -55.24 37.66 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.542 -0.723 . . . . 1.2 109.461 179.568 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.74 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 2.1200000000000001 109.611 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.6 73.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.635 -179.828 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.34 -46.18 89.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.354 179.919 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.85 -32.47 69.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.325 -0.86 . . . . 2.0899999999999999 109.47 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.17 -52.77 52.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 1.3799999999999999 109.193 179.992 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.4 -46.18 89.74 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.318 -0.863 . . . . 2.6800000000000002 109.173 179.855 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.57 -32.33 68.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.612 -0.68 . . . . 1.3400000000000001 109.572 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 1.3 109.751 -179.643 . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.468 -0.567 . . . . 1.6699999999999999 109.468 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -94.65 156.31 16.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.263 -0.898 . . . . 1.01 109.874 -179.807 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.89 -169.16 2.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.51 -0.744 . . . . 0.63 109.402 -179.932 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 46.6 p -151.52 148.65 28.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.139 -0.975 . . . . 1.1299999999999999 109.001 -179.909 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.11 135.52 29.17 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.369 -0.832 . . . . 1.1000000000000001 109.673 -178.942 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.68 131.46 34.33 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.5 -0.926 . . . . 1.3700000000000001 108.5 178.954 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.52 116.26 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.486 -0.758 . . . . 1.1499999999999999 109.381 -179.53 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -75.24 149.45 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.618 -0.676 . . . . 2.77 109.877 179.981 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.82 134.23 2.94 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.144 -1.182 . . . . 0.42999999999999999 110.144 179.365 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.563 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -81.23 -45.76 15.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.43 -1.041 . . . . 3.1200000000000001 109.247 179.612 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.83 -41.08 86.03 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 2.2200000000000002 108.899 179.695 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.6 -40.26 96.48 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.322 -0.861 . . . . 3.5 109.16 179.657 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.37 -54.85 38.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.52 -0.737 . . . . 0.5 109.637 -179.97 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.23 -37.07 54.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.712 -179.816 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.44 -51.39 67.7 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 110.188 -179.553 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.187 -0.946 . . . . 0.32000000000000001 109.149 -179.961 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.24 -39.25 56.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.168 -0.958 . . . . 2.96 109.271 179.688 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.13 -53.94 50.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 109.808 -179.724 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.34 -39.53 87.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.157 -0.964 . . . . 1.0800000000000001 108.646 179.777 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.495 -0.753 . . . . 1.22 109.399 179.626 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.76 -34.16 77.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.41 -0.806 . . . . 1.73 109.586 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.96 -50.52 73.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.598 -179.769 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.33 -46.21 89.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.289 -0.882 . . . . 1.1100000000000001 109.341 179.879 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.84 -32.5 69.48 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.473 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.02 -52.89 53.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 1.1699999999999999 109.234 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.21 89.62 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.355 -0.841 . . . . 2.1499999999999999 109.097 179.903 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.52 -32.41 68.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.55 -0.719 . . . . 1.4399999999999999 109.539 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.83 82.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.3 -0.875 . . . . 1.3 109.772 -179.57 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 1.3999999999999999 109.612 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.461 -0.57 . . . . 7.6600000000000001 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 59.24 37.29 23.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 7.5099999999999998 109.436 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 323' ' ' LEU . 28.8 mmtp 50.85 73.55 0.96 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 6.8099999999999996 109.368 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.4 Cg_endo -64.94 12.32 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.632 1.555 . . . . 5.1500000000000004 110.279 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 321' ' ' LYS . 13.3 mt -80.35 36.16 0.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -0.947 . . . . 4.7000000000000002 109.212 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 322' ' ' PRO . 1.4 m-20 -77.8 -117.58 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.737 -0.602 . . . . 2.48 109.972 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 148.98 49.25 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.981 -1.248 . . . . 1.0800000000000001 109.981 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.08 140.88 57.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.494 -1.003 . . . . 1.7 109.669 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 44.3 m-85 -94.26 157.02 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.252 -0.905 . . . . 1.04 109.368 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -138.8 -170.53 2.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.325 -0.859 . . . . 0.65000000000000002 109.404 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -151.45 146.45 25.94 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.704 -0.85 . . . . 1.1399999999999999 108.704 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.41 135.68 32.3 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.376 -0.827 . . . . 1.0900000000000001 109.699 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.47 34.58 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.495 -0.928 . . . . 1.3700000000000001 108.495 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.2 113.86 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.419 -0.801 . . . . 1.1499999999999999 109.205 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.36 151.46 41.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.655 -0.653 . . . . 2.79 109.792 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 137.37 2.89 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.067 -1.213 . . . . 0.45000000000000001 110.067 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -81.88 -45.6 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.368 -1.078 . . . . 3.1600000000000001 109.353 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.37 -43.6 83.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.162 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.12 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.346 -0.846 . . . . 3.54 109.297 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.68 -56.5 18.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.613 -0.679 . . . . 0.5 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.97 -39.54 59.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.305 -0.872 . . . . 1.6599999999999999 109.724 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.2 -51.94 64.29 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.301 -0.874 . . . . 1.1499999999999999 110.349 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.93 -46.02 92.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.34000000000000002 108.944 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.39 -42.29 61.31 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.3 -0.875 . . . . 2.9399999999999999 109.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.4 -44.06 96.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 1.74 109.728 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.19 -46.46 90.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.942 . . . . 1.0700000000000001 109.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -58.19 -49.35 77.37 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.287 -0.883 . . . . 1.22 109.252 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.8 -38.74 91.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 1.72 109.578 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.61 56.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.759 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.72 -43.23 98.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.47 -35.46 74.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.902 . . . . 1.9099999999999999 109.147 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.83 -46.67 84.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.876 . . . . 1.1499999999999999 108.96 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.15 -50.58 67.65 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.738 -0.838 . . . . 2.1400000000000001 108.738 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.41 75.32 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.623 -0.673 . . . . 1.4299999999999999 109.197 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.68 64.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.838 . . . . 1.3 109.685 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.93 -27.48 33.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 1.4199999999999999 109.407 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.37 55.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.292 -0.88 . . . . 1.5800000000000001 109.144 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -7.22 82.9 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.567 -1.413 . . . . 1.54 109.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.46 137.15 33.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -1.179 . . . . 4.5499999999999998 109.149 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -49.82 137.88 18.41 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.181 -0.949 . . . . 5.71 109.042 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.94 154.68 42.98 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 N-CA-C 109.612 -0.957 . . . . 6.0899999999999999 109.612 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.524 -1.431 . . . . 7.2400000000000002 109.524 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.512 -0.551 . . . . 7.6699999999999999 109.512 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 59.27 37.32 23.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 7.46 109.396 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' B' ' 323' ' ' LEU . 28.8 mmtp 50.87 73.53 0.96 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 6.79 109.38 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' B' ' 324' ' ' ASP . 2.4 Cg_endo -64.93 12.37 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.599 1.533 . . . . 5.1500000000000004 110.324 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' B' ' 321' ' ' LYS . 13.4 mt -80.43 36.18 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.982 . . . . 4.6600000000000001 109.17 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' B' ' 322' ' ' PRO . 1.4 m-20 -77.85 -117.71 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.708 -0.62 . . . . 2.4700000000000002 109.911 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.39 148.99 49.4 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.056 -1.218 . . . . 1.0600000000000001 110.056 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.07 140.82 57.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.466 -1.02 . . . . 1.6100000000000001 109.646 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 44.5 m-85 -94.19 157.2 16.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.922 . . . . 0.96999999999999997 109.418 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -138.97 -170.68 2.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.841 . . . . 0.59999999999999998 109.402 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.43 146.47 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.759 -0.83 . . . . 1.1000000000000001 108.759 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.39 135.7 32.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.351 -0.843 . . . . 1.1000000000000001 109.805 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.36 34.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.523 -0.917 . . . . 1.3600000000000001 108.523 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.09 113.73 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.482 -0.761 . . . . 1.1699999999999999 109.283 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.454 ' NH2' ' CB ' ' D' ' 324' ' ' ASP . 50.4 ttt180 -73.22 151.39 41.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.634 -0.666 . . . . 2.79 109.864 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.09 137.32 2.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.039 -1.224 . . . . 0.47999999999999998 110.039 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.94 -45.52 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.413 -1.051 . . . . 3.2200000000000002 109.237 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.59 83.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.231 -0.918 . . . . 2.21 109.162 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.335 -0.853 . . . . 3.5499999999999998 109.287 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.62 -56.49 18.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.531 -0.731 . . . . 0.52000000000000002 109.768 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.91 -39.58 59.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.855 . . . . 1.6799999999999999 109.685 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.22 -51.95 64.17 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.337 -0.852 . . . . 1.1499999999999999 110.317 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.97 -45.95 92.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.33000000000000002 108.948 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.34 -42.31 61.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 3.02 109.302 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.48 -44.02 96.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.235 -0.915 . . . . 1.75 109.657 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.21 -46.48 90.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.208 -0.932 . . . . 1.0700000000000001 109.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.16 -49.4 77.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.36 -0.838 . . . . 1.21 109.321 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.78 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -53.51 57.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.0600000000000001 109.8 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.93 -43.01 99.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 1.0800000000000001 109.258 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.75 -35.28 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.315 -0.866 . . . . 1.9299999999999999 109.087 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.86 -46.7 83.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 1.1399999999999999 109.025 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.06 -50.61 67.69 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 2.1899999999999999 108.762 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -37.39 75.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 109.171 -0.678 . . . . 1.4299999999999999 109.171 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.75 64.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 1.3100000000000001 109.667 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.85 -27.56 33.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 1.3999999999999999 109.399 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.2 54.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.232 -0.917 . . . . 1.5700000000000001 109.186 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -7.29 82.81 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.524 -1.43 . . . . 1.53 109.524 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.47 137.1 33.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -1.122 . . . . 4.5800000000000001 109.088 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -49.73 137.85 17.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.155 -0.966 . . . . 5.6799999999999997 108.957 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.02 154.69 43.44 Favored 'Trans proline' 0 C--O 1.214 -0.719 0 N-CA-C 109.548 -0.982 . . . . 6.0499999999999998 109.548 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.971 -1.46 . . . . 7.2000000000000002 109.49 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.448 -0.575 . . . . 9.2200000000000006 109.448 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 71.0 tttt 59.23 37.42 23.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 8.5099999999999998 109.459 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.557 ' C ' ' H ' ' C' ' 323' ' ' LEU . 28.8 mmtp 50.75 73.61 0.95 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 7.4199999999999999 109.39 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' C' ' 324' ' ' ASP . 2.4 Cg_endo -64.92 12.28 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.101 0 C-N-CA 121.665 1.576 . . . . 5.0499999999999998 110.282 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' C' ' 321' ' ' LYS . 13.4 mt -80.44 36.25 0.36 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.114 -0.991 . . . . 5.1399999999999997 109.18 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' C' ' 322' ' ' PRO . 1.4 m-20 -77.86 -117.61 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.696 -0.628 . . . . 2.8500000000000001 109.95 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 148.98 49.21 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.954 -1.258 . . . . 1.27 109.954 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.07 140.84 57.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.477 -1.014 . . . . 2.1099999999999999 109.662 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 45.2 m-85 -94.26 157.14 16.19 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.279 -0.888 . . . . 1.01 109.379 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.88 -170.7 2.92 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.36 -0.837 . . . . 0.57999999999999996 109.39 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -151.46 146.4 25.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 1.1599999999999999 108.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 61.2 tp -140.31 135.77 32.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.412 -0.805 . . . . 1.1699999999999999 109.792 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.52 130.46 34.57 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.534 -0.914 . . . . 1.8100000000000001 108.534 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.17 113.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.471 -0.768 . . . . 1.1299999999999999 109.229 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.29 151.38 41.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.723 -0.611 . . . . 2.8199999999999998 109.83 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.08 137.38 2.95 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.989 -1.244 . . . . 0.45000000000000001 109.989 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.98 -45.52 15.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.397 -1.061 . . . . 3.0800000000000001 109.235 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.42 -43.54 83.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.955 . . . . 2.54 109.156 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -63.28 -41.74 99.03 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.304 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.69 -56.45 18.99 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.53 -0.731 . . . . 0.56999999999999995 109.742 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.99 -39.5 59.5 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.347 -0.846 . . . . 1.6599999999999999 109.758 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.25 -52.0 63.92 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.322 -0.861 . . . . 1.29 110.297 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.85 -45.97 92.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.40000000000000002 109.02 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.38 -42.33 61.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.224 -0.922 . . . . 3.8500000000000001 109.27 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.47 -43.99 96.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.871 . . . . 1.78 109.74 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.13 -46.56 90.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.154 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -58.12 -49.41 77.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.286 -0.884 . . . . 1.2 109.282 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.79 91.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 109.589 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.45 58.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.373 -0.83 . . . . 1.0700000000000001 109.771 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.83 -43.11 98.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.27 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.65 -35.37 74.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.087 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.84 -46.74 83.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.437 -0.789 . . . . 1.3799999999999999 108.943 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.05 -50.67 67.5 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.764 -0.828 . . . . 2.6800000000000002 108.764 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.34 75.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.225 -0.657 . . . . 1.3400000000000001 109.225 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.66 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 1.3 109.679 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.93 -27.5 33.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 1.8 109.403 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.28 -8.3 55.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 1.47 109.157 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 -7.28 82.91 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.493 -1.443 . . . . 1.6599999999999999 109.493 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.41 137.09 33.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.187 -1.184 . . . . 4.7800000000000002 109.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -49.8 137.87 18.27 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.143 -0.973 . . . . 6.1900000000000004 108.94 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.08 154.68 43.83 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 N-CA-C 109.514 -0.995 . . . . 6.1799999999999997 109.514 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.038 -1.424 . . . . 6.9000000000000004 109.547 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.498 -0.556 . . . . 7.6900000000000004 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 59.23 37.39 23.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 7.4500000000000002 109.418 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' D' ' 323' ' ' LEU . 28.8 mmtp 50.76 73.6 0.95 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 6.8399999999999999 109.382 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' D' ' 324' ' ' ASP . 2.4 Cg_endo -64.9 12.31 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 C-N-CA 121.637 1.558 . . . . 5.1200000000000001 110.369 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' D' ' 321' ' ' LYS . 13.4 mt -80.41 36.22 0.36 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.073 -1.017 . . . . 4.6600000000000001 109.141 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.454 ' CB ' ' NH2' ' B' ' 333' ' ' ARG . 1.4 m-20 -77.89 -117.65 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.706 -0.621 . . . . 2.46 109.874 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 148.98 49.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 110.014 -1.234 . . . . 1.0800000000000001 110.014 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.1 140.86 57.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.446 -1.032 . . . . 1.6699999999999999 109.669 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 44.5 m-85 -94.22 157.07 16.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 1.01 109.37 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.84 -170.59 2.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.288 -0.882 . . . . 0.63 109.418 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -151.46 146.5 25.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.319 -0.863 . . . . 1.1299999999999999 108.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.3 tp -140.4 135.67 32.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.446 -0.784 . . . . 1.1000000000000001 109.722 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.5 130.43 34.58 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.463 -0.939 . . . . 1.3700000000000001 108.463 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.17 113.85 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.682 0.753 . . . . 1.1499999999999999 109.183 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.416 ' NH2' ' CB ' ' B' ' 324' ' ' ASP . 50.6 ttt180 -73.32 151.43 41.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.689 -0.632 . . . . 2.77 109.795 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.94 137.37 2.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.048 -1.221 . . . . 0.42999999999999999 110.048 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -82.04 -45.42 15.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -1.057 . . . . 3.1200000000000001 109.289 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.6 83.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.106 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.23 -41.83 99.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.322 -0.861 . . . . 3.5 109.287 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.66 -56.51 18.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.545 -0.722 . . . . 0.5 109.72 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.9 -39.62 59.36 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.745 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.15 -52.0 64.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 110.301 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.9 -45.95 92.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.32000000000000001 108.993 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.46 -42.22 61.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.288 -0.882 . . . . 2.96 109.306 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.41 -44.13 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.247 -0.908 . . . . 1.75 109.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.12 -46.5 90.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.239 -0.913 . . . . 1.0800000000000001 109.182 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 1.22 109.281 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.75 -38.82 92.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 1.73 109.581 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.56 57.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.806 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.83 -43.2 98.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 1.1100000000000001 109.281 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.57 -35.33 74.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.881 . . . . 1.9099999999999999 109.15 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.83 -46.71 83.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 1.1699999999999999 109.063 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.09 -50.63 67.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.746 -0.835 . . . . 2.1499999999999999 108.746 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.187 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -19.73 64.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.3 109.677 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.95 -27.46 33.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 1.3999999999999999 109.433 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -8.31 55.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 1.6000000000000001 109.238 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 -7.32 82.94 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.54 -1.424 . . . . 1.5 109.54 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -85.44 137.22 33.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 4.5499999999999998 109.137 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -49.87 137.89 18.74 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.147 -0.971 . . . . 5.6699999999999999 109.053 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.98 154.67 43.27 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 N-CA-C 109.587 -0.967 . . . . 6.1200000000000001 109.587 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.003 -1.443 . . . . 7.2699999999999996 109.538 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.457 -0.571 . . . . 7.6600000000000001 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 319' ' ' LYS . 63.8 tttt 59.2 111.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.291 -0.881 . . . . 7.5099999999999998 109.615 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 323' ' ' LEU . 47.4 mtmt 51.25 69.9 2.29 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.272 -0.892 . . . . 6.8099999999999996 109.657 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.65 41.05 0.36 Allowed 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 121.885 1.724 . . . . 5.1500000000000004 110.34 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 321' ' ' LYS . 14.3 mt -79.05 97.99 6.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.619 -1.301 . . . . 4.7000000000000002 109.62 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -83.47 156.21 22.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 2.48 109.686 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.82 164.9 51.12 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.644 -1.383 . . . . 1.0800000000000001 109.644 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.55 139.35 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -1.124 . . . . 1.7 109.714 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -95.03 155.47 16.72 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.258 -0.901 . . . . 1.04 109.718 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.22 138.67 31.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.226 -0.921 . . . . 0.65000000000000002 109.1 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -96.36 161.71 13.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.304 -0.872 . . . . 1.1399999999999999 109.024 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.6 tp -149.31 135.29 18.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 1.0900000000000001 110.253 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.57 34.74 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.635 -0.876 . . . . 1.3700000000000001 108.635 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -124.33 118.06 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 CA-C-O 121.663 0.744 . . . . 1.1499999999999999 109.958 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.43 147.71 35.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.62 -0.675 . . . . 2.79 109.801 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.49 137.64 5.43 Favored Glycine 0 N--CA 1.496 2.681 0 O-C-N 121.139 -0.976 . . . . 0.45000000000000001 110.755 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.43 -43.36 13.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.549 -0.971 . . . . 3.1600000000000001 109.252 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.27 -45.92 91.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.186 -0.946 . . . . 2.2200000000000002 109.547 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 337' ' ' ARG . 19.3 ttm-85 -62.94 -40.71 98.47 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.249 -0.907 . . . . 3.54 109.667 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -52.64 52.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.406 -0.808 . . . . 0.5 109.616 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.25 -38.52 63.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 1.6599999999999999 110.037 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 60.0 ttp -64.61 -50.16 68.23 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.221 -0.925 . . . . 1.1499999999999999 110.621 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -59.71 -44.71 93.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.082 -1.011 . . . . 0.34000000000000002 109.016 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.84 -45.96 59.9 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.393 -0.817 . . . . 2.9399999999999999 109.54 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.06 -48.56 81.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 1.74 110.051 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.73 -38.8 86.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 109.164 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -59.12 -53.11 62.03 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.385 -0.822 . . . . 1.22 109.827 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.98 -33.7 76.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.72 110.105 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.71 31.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.937 . . . . 1.0700000000000001 110.318 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.23 -41.84 97.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 1.0800000000000001 109.53 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.46 75.03 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.1 -1.0 . . . . 1.9099999999999999 109.011 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.95 -52.03 53.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.461 -0.775 . . . . 1.1499999999999999 109.549 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 355' ' ' ALA . 15.2 ttmm -62.34 -38.77 90.76 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.699 0.762 . . . . 2.1400000000000001 109.059 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.32 -39.08 69.54 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.62 -0.675 . . . . 1.4299999999999999 109.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.76 47.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 1.3 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.415 ' OE1' ' OE1' ' B' ' 354' ' ' GLN . 22.3 mt-30 -81.63 1.49 33.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.845 . . . . 1.4199999999999999 109.849 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.65 -80.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 1.5800000000000001 109.376 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.96 82.01 0.01 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.659 -1.376 . . . . 1.54 109.659 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 355' ' ' ALA . 79.5 tttt -86.55 -86.97 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.267 -1.137 . . . . 4.5499999999999998 109.488 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.98 153.79 2.88 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 5.71 109.012 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.57 150.51 34.86 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.116 1.211 . . . . 6.0899999999999999 109.816 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.985 -1.453 . . . . 7.2400000000000002 109.598 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.465 -0.569 . . . . 7.6699999999999999 109.465 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 319' ' ' LYS . 63.9 tttt 59.16 112.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.361 -0.837 . . . . 7.46 109.575 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' B' ' 323' ' ' LEU . 47.3 mtmt 51.34 69.82 2.32 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.897 . . . . 6.79 109.677 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.63 40.98 0.36 Allowed 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 121.839 1.693 . . . . 5.1500000000000004 110.379 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' B' ' 321' ' ' LYS . 14.2 mt -78.93 98.03 6.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.501 -1.374 . . . . 4.6600000000000001 109.628 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -83.47 156.39 22.9 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.457 -0.777 . . . . 2.4700000000000002 109.645 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.09 164.94 51.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.581 -1.408 . . . . 1.0600000000000001 109.581 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.51 139.23 57.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -1.119 . . . . 1.6100000000000001 109.749 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -95.01 155.43 16.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.29 -0.881 . . . . 0.96999999999999997 109.649 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -142.14 138.69 31.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.303 -0.873 . . . . 0.59999999999999998 109.087 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -96.31 161.82 13.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 1.1000000000000001 109.061 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.8 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 1.1000000000000001 110.18 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.52 34.72 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.652 -0.87 . . . . 1.3600000000000001 108.652 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.26 118.13 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-O 121.643 0.735 . . . . 1.1699999999999999 109.883 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -77.55 147.79 35.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.598 -0.689 . . . . 2.79 109.76 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.54 137.69 5.47 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.691 -0.964 . . . . 0.47999999999999998 110.691 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.44 -43.41 13.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.471 -1.017 . . . . 3.2200000000000002 109.263 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.25 -45.83 91.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 2.21 109.563 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.474 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.5 ttm-85 -63.06 -40.67 98.39 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 3.5499999999999998 109.592 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.58 -52.5 54.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.455 -0.778 . . . . 0.52000000000000002 109.611 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -53.24 -38.54 63.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 110.029 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.63 -50.23 67.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 1.1499999999999999 110.577 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -59.74 -44.72 93.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.33000000000000002 108.975 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.75 -46.05 59.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.383 -0.823 . . . . 3.02 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.06 -48.61 80.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 1.75 110.047 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.65 -38.77 85.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 109.267 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.21 -53.12 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.21 109.731 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.02 -33.69 76.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.6899999999999999 110.115 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -55.64 32.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.214 -0.929 . . . . 1.0600000000000001 110.272 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.2 -41.85 97.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 1.0800000000000001 109.615 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.01 -35.44 75.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 1.9299999999999999 108.995 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.98 -51.82 54.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.463 -0.773 . . . . 1.1399999999999999 109.571 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 355' ' ' ALA . 15.2 ttmm -62.38 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.355 -0.841 . . . . 2.1899999999999999 108.984 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.25 -39.07 69.34 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.616 -0.678 . . . . 1.4299999999999999 109.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.76 48.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 1.3100000000000001 109.631 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.415 ' OE1' ' OE1' ' A' ' 354' ' ' GLN . 22.3 mt-30 -81.75 1.62 33.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.408 -0.808 . . . . 1.3999999999999999 109.863 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.72 -80.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 1.5700000000000001 109.386 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.95 81.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.698 -1.361 . . . . 1.53 109.698 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' B' ' 355' ' ' ALA . 79.5 tttt -86.44 -87.07 0.14 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -1.135 . . . . 4.5800000000000001 109.521 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 153.81 2.87 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 5.6799999999999997 108.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.58 150.39 35.48 Favored 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 121.171 1.247 . . . . 6.0499999999999998 109.824 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.014 -1.436 . . . . 7.2000000000000002 109.583 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.538 -0.541 . . . . 9.2200000000000006 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 319' ' ' LYS . 63.8 tttt 59.09 112.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 8.5099999999999998 109.657 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' C' ' 323' ' ' LEU . 47.3 mtmt 51.29 69.87 2.3 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.436 -0.79 . . . . 7.4199999999999999 109.659 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.66 41.01 0.36 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.909 1.739 . . . . 5.0499999999999998 110.349 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' C' ' 321' ' ' LYS . 14.2 mt -78.97 98.0 6.27 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.566 -1.334 . . . . 5.1399999999999997 109.67 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -83.42 156.31 23.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.483 -0.76 . . . . 2.8500000000000001 109.692 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.99 164.9 51.46 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.64 -1.384 . . . . 1.27 109.64 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.58 139.39 57.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.279 -1.13 . . . . 2.1099999999999999 109.741 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -95.09 155.51 16.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -0.878 . . . . 1.01 109.705 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.2 138.58 31.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.216 -0.927 . . . . 0.57999999999999996 109.075 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -96.22 161.6 13.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.919 . . . . 1.1599999999999999 109.104 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.2 tp -149.26 135.45 19.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.972 . . . . 1.1699999999999999 110.165 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.34 128.55 34.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.635 -0.876 . . . . 1.8100000000000001 108.635 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.39 118.09 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-O 121.732 0.777 . . . . 1.1299999999999999 109.881 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.49 147.78 35.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 2.8199999999999998 109.772 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.57 137.66 5.47 Favored Glycine 0 N--CA 1.497 2.73 0 C-N-CA 120.257 -0.973 . . . . 0.45000000000000001 110.723 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -85.45 -43.46 13.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -1.027 . . . . 3.0800000000000001 109.228 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.25 -45.83 91.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.91 . . . . 2.54 109.579 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.73 98.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.264 -0.898 . . . . 4.1100000000000003 109.569 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.51 -52.59 53.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.435 -0.791 . . . . 0.56999999999999995 109.619 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -53.2 -38.57 62.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.882 . . . . 1.6599999999999999 110.028 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.56 -50.21 68.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.201 -0.937 . . . . 1.29 110.598 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -59.68 -44.73 93.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.40000000000000002 109.011 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.88 -45.94 60.24 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 3.8500000000000001 109.553 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.13 -48.56 81.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.385 -0.822 . . . . 1.78 109.999 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.65 -38.77 85.93 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.122 -0.986 . . . . 1.1699999999999999 109.22 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -59.27 -53.05 62.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 1.2 109.688 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.01 -33.65 76.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 2.1200000000000001 110.033 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -55.72 31.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 110.226 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -41.91 97.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.521 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.95 -35.51 75.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.172 -0.955 . . . . 2.0899999999999999 109.002 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.89 -51.94 54.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.3799999999999999 109.547 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' C' ' 355' ' ' ALA . 15.2 ttmm -62.39 -38.91 91.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.435 -0.791 . . . . 2.6800000000000002 109.007 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.3 -38.99 69.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.659 -0.651 . . . . 1.3400000000000001 109.477 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.8 47.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 1.3 109.608 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.406 ' OE1' ' OE1' ' D' ' 354' ' ' GLN . 22.3 mt-30 -81.73 1.59 33.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.377 -0.827 . . . . 1.8 109.85 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.72 -80.95 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.47 109.342 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.89 82.01 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.657 -1.377 . . . . 1.6599999999999999 109.657 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' C' ' 355' ' ' ALA . 79.4 tttt -86.51 -87.1 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.205 -1.174 . . . . 4.7800000000000002 109.44 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.87 153.77 2.81 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.223 -0.923 . . . . 6.1900000000000004 108.956 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.58 150.5 34.97 Favored 'Trans proline' 0 C--N 1.322 -0.827 0 C-N-CA 120.999 1.133 . . . . 6.1799999999999997 109.932 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 117.932 -1.482 . . . . 6.9000000000000004 109.564 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.273 0.559 . . . . 7.6900000000000004 109.534 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 319' ' ' LYS . 63.8 tttt 59.26 112.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.283 -0.886 . . . . 7.4500000000000002 109.603 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' D' ' 323' ' ' LEU . 47.4 mtmt 51.26 69.84 2.32 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 6.8399999999999999 109.731 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.68 41.06 0.36 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 121.813 1.676 . . . . 5.1200000000000001 110.344 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' D' ' 321' ' ' LYS . 14.1 mt -78.97 97.92 6.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.557 -1.34 . . . . 4.6600000000000001 109.639 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -83.44 156.39 22.94 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.495 -0.753 . . . . 2.46 109.628 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.92 164.96 51.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.659 -1.376 . . . . 1.0800000000000001 109.659 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.62 139.31 57.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.211 -1.17 . . . . 1.6699999999999999 109.664 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -95.03 155.56 16.68 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.242 -0.911 . . . . 1.01 109.657 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.25 138.69 31.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.184 -0.947 . . . . 0.63 109.039 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -96.36 161.84 13.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 1.1299999999999999 109.055 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.026 . . . . 1.1000000000000001 110.195 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.18 128.57 34.72 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.703 -0.851 . . . . 1.3700000000000001 108.703 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.33 118.15 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 CA-C-O 121.603 0.716 . . . . 1.1499999999999999 109.867 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.59 147.81 35.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.639 -0.663 . . . . 2.77 109.795 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.53 137.56 5.42 Favored Glycine 0 N--CA 1.495 2.613 0 O-C-N 121.189 -0.944 . . . . 0.42999999999999999 110.764 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -85.4 -43.35 13.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.465 -1.021 . . . . 3.1200000000000001 109.263 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.34 -45.81 92.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.2200000000000002 109.527 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.478 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.64 98.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.283 -0.885 . . . . 3.5 109.612 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.67 -52.42 55.93 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.456 -0.777 . . . . 0.5 109.617 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.34 -38.47 63.28 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 1.6899999999999999 109.999 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 60.0 ttp -64.72 -50.08 68.34 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.197 -0.94 . . . . 1.1399999999999999 110.638 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.78 -44.72 93.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.064 -1.023 . . . . 0.32000000000000001 108.977 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -50.78 -46.01 59.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.409 -0.807 . . . . 2.96 109.537 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.11 -48.63 80.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.275 -0.89 . . . . 1.75 110.018 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.58 -38.82 85.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.093 -1.004 . . . . 1.0800000000000001 109.231 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.15 -53.15 61.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.277 -0.89 . . . . 1.22 109.712 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.01 -33.59 76.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 1.73 110.042 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.29 -55.73 31.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.122 -0.986 . . . . 1.0700000000000001 110.317 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.26 -41.83 97.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.088 -1.008 . . . . 1.1100000000000001 109.567 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.51 75.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.136 -0.977 . . . . 1.9099999999999999 108.972 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.92 -52.02 53.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.42 -0.8 . . . . 1.1699999999999999 109.571 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' D' ' 355' ' ' ALA . 15.2 ttmm -62.34 -38.85 91.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.379 -0.826 . . . . 2.1499999999999999 108.993 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.27 -39.11 69.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.719 -0.613 . . . . 1.4399999999999999 109.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.77 -50.74 48.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 1.3 109.559 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.406 ' OE1' ' OE1' ' C' ' 354' ' ' GLN . 22.3 mt-30 -81.64 1.52 33.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.84 . . . . 1.3999999999999999 109.865 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.7 -80.93 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.125 -0.984 . . . . 1.6000000000000001 109.374 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.91 82.06 0.01 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.68 -1.368 . . . . 1.5 109.68 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 355' ' ' ALA . 79.5 tttt -86.52 -87.04 0.14 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.214 -1.168 . . . . 4.5499999999999998 109.523 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.0 153.9 2.83 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 5.6699999999999999 108.884 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -54.7 150.49 35.84 Favored 'Trans proline' 0 C--N 1.324 -0.743 0 C-N-CA 121.096 1.197 . . . . 6.1200000000000001 109.822 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.964 -1.464 . . . . 7.2699999999999996 109.587 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 108.99 -0.744 . . . . 7.6600000000000001 108.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 55.78 74.44 0.38 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 7.5099999999999998 109.515 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 323' ' ' LEU . 33.0 ttmt 53.72 81.57 0.26 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.174 -0.954 . . . . 6.8099999999999996 109.381 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.61 -2.06 3.09 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.939 1.093 . . . . 5.1500000000000004 109.917 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.9 mt -84.2 99.27 10.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 4.7000000000000002 109.052 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -81.04 -138.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.388 -0.82 . . . . 2.48 109.538 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.0 -179.26 15.94 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.553 -1.419 . . . . 1.0800000000000001 109.553 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.97 131.11 50.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.306 -1.114 . . . . 1.7 109.787 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.77 151.2 19.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.262 -0.899 . . . . 1.04 109.135 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.488 ' H ' ' NE2' ' C' ' 331' ' ' GLN . 80.3 m-85 -135.72 -169.05 2.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.347 -0.845 . . . . 0.65000000000000002 109.837 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.01 151.61 32.31 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.321 -0.992 . . . . 1.1399999999999999 108.321 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 65.0 tp -143.53 135.62 26.78 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.279 -0.888 . . . . 1.0900000000000001 109.895 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' C' ' 328' ' ' PHE . 5.4 tm0? -84.47 128.03 34.36 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.371 -0.974 . . . . 1.3700000000000001 108.371 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.1 mt -123.75 107.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 108.892 -0.781 . . . . 1.1499999999999999 108.892 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.52 142.8 42.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.53 -0.731 . . . . 2.79 109.845 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.5 133.3 7.95 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.878 -1.289 . . . . 0.45000000000000001 109.878 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.71 -46.9 20.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.365 -1.079 . . . . 3.1600000000000001 109.296 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -58.04 -44.15 87.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.355 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.12 -43.33 98.72 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.36 -0.837 . . . . 3.54 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -54.41 -58.65 6.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.569 -0.707 . . . . 0.5 109.868 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.32 -40.06 61.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.421 -0.799 . . . . 1.6599999999999999 109.745 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.223 -0.923 . . . . 1.1499999999999999 110.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.43 -47.99 83.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.119 -0.988 . . . . 0.34000000000000002 108.994 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.33 -43.04 61.63 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.682 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.85 -43.46 94.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -0.939 . . . . 1.74 109.939 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.57 -43.78 98.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 109.314 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.71 -51.37 69.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.229 -0.92 . . . . 1.22 109.455 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.97 -39.61 95.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.87 . . . . 1.72 109.803 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.36 65.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.325 -0.859 . . . . 1.0700000000000001 109.948 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.0800000000000001 109.486 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.59 -35.89 75.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 109.43 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.14 -49.28 74.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 109.351 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.54 78.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.388 -0.82 . . . . 2.1400000000000001 108.974 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.29 -31.06 67.12 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.545 -0.722 . . . . 1.4299999999999999 109.597 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.9 84.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 1.3 109.93 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.16 -8.98 59.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.261 -0.899 . . . . 1.4199999999999999 109.46 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.68 -4.32 26.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 1.5800000000000001 109.201 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.92 -2.43 90.66 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.706 -1.357 . . . . 1.54 109.706 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.06 100.55 12.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.178 -1.189 . . . . 4.5499999999999998 109.31 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -51.97 154.33 3.91 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.932 . . . . 5.71 109.1 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.48 153.19 36.21 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.12 1.214 . . . . 6.0899999999999999 109.958 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.944 -1.475 . . . . 7.2400000000000002 109.622 179.63 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 108.919 -0.771 . . . . 7.6699999999999999 108.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 55.78 74.44 0.38 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 7.46 109.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' B' ' 323' ' ' LEU . 33.0 ttmt 53.71 81.51 0.26 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 6.79 109.396 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.52 -2.11 3.06 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 120.92 1.08 . . . . 5.1500000000000004 109.883 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.9 mt -84.15 99.3 10.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.122 -0.986 . . . . 4.6600000000000001 109.088 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -81.11 -138.98 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.483 -0.76 . . . . 2.4700000000000002 109.543 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.52 -179.3 13.75 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.599 -1.4 . . . . 1.0600000000000001 109.599 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.05 131.15 50.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -1.11 . . . . 1.6100000000000001 109.791 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -93.72 151.09 19.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.192 -0.942 . . . . 0.96999999999999997 109.105 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.493 ' H ' ' NE2' ' D' ' 331' ' ' GLN . 80.6 m-85 -135.67 -169.08 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.327 -0.858 . . . . 0.59999999999999998 109.8 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -150.98 151.52 32.21 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.371 -0.974 . . . . 1.1000000000000001 108.371 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.41 135.72 27.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 1.1000000000000001 109.847 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' D' ' 328' ' ' PHE . 5.4 tm0? -84.72 128.02 34.4 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.367 -0.975 . . . . 1.3600000000000001 108.367 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.954 -0.758 . . . . 1.1699999999999999 108.954 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.44 142.76 42.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.567 -0.708 . . . . 2.79 109.889 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.39 133.23 7.91 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.855 -1.298 . . . . 0.47999999999999998 109.855 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -77.56 -46.95 20.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -1.126 . . . . 3.2200000000000002 109.38 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.96 -44.27 86.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.375 -0.828 . . . . 2.21 109.314 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.06 -43.35 98.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.314 -0.866 . . . . 3.5499999999999998 109.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.56 6.98 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.663 -0.648 . . . . 0.52000000000000002 109.965 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.29 -40.06 61.31 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 109.778 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -51.26 66.03 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.285 -0.884 . . . . 1.1499999999999999 109.983 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.44 -47.96 83.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.33000000000000002 109.003 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.92 61.91 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.338 -0.851 . . . . 3.02 109.64 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 1.75 109.946 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.69 -43.76 98.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.155 -0.966 . . . . 1.0700000000000001 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.65 -51.34 69.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.266 -0.896 . . . . 1.21 109.443 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.06 -39.54 95.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.827 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.97 -52.23 66.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -0.884 . . . . 1.0600000000000001 109.919 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.76 -43.84 98.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.468 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.47 -36.02 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.9299999999999999 109.376 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.18 -49.27 74.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 1.1399999999999999 109.337 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.08 -48.5 78.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.345 -0.847 . . . . 2.1899999999999999 108.984 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.26 -31.06 67.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.554 -0.716 . . . . 1.4299999999999999 109.626 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.99 84.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.927 . . . . 1.3100000000000001 109.902 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.13 -9.02 59.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.962 . . . . 1.3999999999999999 109.519 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.56 -4.42 26.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.5700000000000001 109.259 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.98 -2.39 90.67 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.645 -1.382 . . . . 1.53 109.645 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -86.03 100.48 12.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 4.5800000000000001 109.305 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.96 154.32 3.89 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.261 -0.899 . . . . 5.6799999999999997 109.065 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -56.53 153.28 36.06 Favored 'Trans proline' 0 C--N 1.324 -0.75 0 C-N-CA 121.046 1.164 . . . . 6.0499999999999998 110.025 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.985 -1.453 . . . . 7.2000000000000002 109.652 179.756 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.923 -0.769 . . . . 9.2200000000000006 108.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 55.83 74.35 0.39 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.274 -0.891 . . . . 8.5099999999999998 109.546 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' C' ' 323' ' ' LEU . 33.0 ttmt 53.88 81.5 0.26 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.052 -1.03 . . . . 7.4199999999999999 109.356 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.56 -2.08 3.07 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 120.963 1.109 . . . . 5.0499999999999998 109.871 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.9 mt -84.23 99.33 10.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.003 . . . . 5.1399999999999997 109.055 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -81.0 -138.77 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.342 -0.849 . . . . 2.8500000000000001 109.56 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 -179.26 15.67 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.481 -1.448 . . . . 1.27 109.481 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.95 131.1 50.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.223 -1.163 . . . . 2.1099999999999999 109.784 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -93.73 151.0 19.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.885 . . . . 1.01 109.185 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.54 ' H ' ' NE2' ' A' ' 331' ' ' GLN . 80.4 m-85 -135.6 -169.11 2.33 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.327 -0.858 . . . . 0.57999999999999996 109.831 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.5 p -150.99 151.49 32.16 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.354 -0.98 . . . . 1.1599999999999999 108.354 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 65.2 tp -143.43 135.72 27.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.216 -0.927 . . . . 1.1699999999999999 109.838 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' ' 328' ' ' PHE . 5.4 tm0? -84.74 127.96 34.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.37 -0.974 . . . . 1.8100000000000001 108.37 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.62 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 108.885 -0.783 . . . . 1.1299999999999999 108.885 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.55 142.77 42.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.583 -0.698 . . . . 2.8199999999999998 109.857 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.36 133.31 7.94 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.887 -1.285 . . . . 0.45000000000000001 109.887 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.55 -47.03 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -1.085 . . . . 3.0800000000000001 109.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.0 -44.08 87.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 2.54 109.364 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.24 -43.28 98.48 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.37 -0.831 . . . . 4.1100000000000003 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.51 -58.51 7.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.66 -0.65 . . . . 0.56999999999999995 109.897 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.44 -39.91 61.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.761 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.27 66.06 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.227 -0.921 . . . . 1.29 110.014 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.49 -47.92 83.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -0.965 . . . . 0.40000000000000002 109.013 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.93 61.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.352 -0.842 . . . . 3.8500000000000001 109.692 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.94 -43.38 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.261 -0.899 . . . . 1.78 109.901 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.65 -43.76 98.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.131 -0.981 . . . . 1.1699999999999999 109.285 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.73 -51.27 70.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 1.2 109.448 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.02 -39.6 95.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.336 -0.853 . . . . 2.1200000000000001 109.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -52.26 66.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.907 . . . . 1.0700000000000001 109.952 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.83 -43.83 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.93 . . . . 1.1399999999999999 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.43 -36.0 75.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.38 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -49.27 74.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -0.879 . . . . 1.3799999999999999 109.351 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.438 -0.789 . . . . 2.6800000000000002 108.925 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.24 -31.09 67.06 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.611 -0.68 . . . . 1.3400000000000001 109.623 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.0 84.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 1.3 109.917 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -82.14 -8.97 59.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 1.8 109.499 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.56 -4.45 27.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.236 -0.915 . . . . 1.47 109.239 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.92 -2.37 90.66 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.721 -1.352 . . . . 1.6599999999999999 109.721 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.02 100.48 12.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -1.174 . . . . 4.7800000000000002 109.293 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -51.99 154.41 3.86 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 6.1900000000000004 109.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.59 153.22 36.75 Favored 'Trans proline' 0 C--N 1.325 -0.679 0 C-N-CA 121.077 1.185 . . . . 6.1799999999999997 110.075 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 118.021 -1.433 . . . . 6.9000000000000004 109.64 179.77 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.935 -0.765 . . . . 7.6900000000000004 108.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 55.93 74.31 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 7.4500000000000002 109.511 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' D' ' 323' ' ' LEU . 33.0 ttmt 53.79 81.57 0.26 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 6.8399999999999999 109.349 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.6 -2.1 3.12 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 120.989 1.126 . . . . 5.1200000000000001 109.837 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.9 mt -84.19 99.32 10.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.072 -1.018 . . . . 4.6600000000000001 109.013 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.06 -138.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 2.46 109.522 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 -179.37 15.67 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.547 -1.421 . . . . 1.0800000000000001 109.547 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.93 131.14 50.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -1.146 . . . . 1.6699999999999999 109.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.66 151.01 19.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.246 -0.909 . . . . 1.01 109.25 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.54 ' H ' ' NE2' ' B' ' 331' ' ' GLN . 80.4 m-85 -135.65 -169.06 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.406 -0.809 . . . . 0.63 109.836 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.1 151.42 31.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.433 -0.951 . . . . 1.1299999999999999 108.433 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 65.3 tp -143.34 135.68 27.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.234 -0.917 . . . . 1.1000000000000001 109.883 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.493 ' NE2' ' H ' ' B' ' 328' ' ' PHE . 5.4 tm0? -84.75 128.11 34.45 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.325 -0.991 . . . . 1.3700000000000001 108.325 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -123.78 107.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 N-CA-C 108.89 -0.781 . . . . 1.1499999999999999 108.89 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.42 142.86 42.95 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.631 -0.668 . . . . 2.77 109.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.34 133.26 7.92 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.887 -1.285 . . . . 0.42999999999999999 109.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.6 -46.98 20.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.388 -1.066 . . . . 3.1200000000000001 109.393 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.04 -44.13 87.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 2.2200000000000002 109.368 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.15 -43.36 98.53 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.38 -0.825 . . . . 3.5 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.58 6.89 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.587 -0.696 . . . . 0.5 109.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.34 -40.01 61.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.374 -0.829 . . . . 1.6899999999999999 109.793 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.26 66.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.228 -0.92 . . . . 1.1399999999999999 110.026 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.41 -48.02 83.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.32000000000000001 109.008 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.37 -42.97 61.73 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.308 -0.87 . . . . 2.96 109.742 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.51 94.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.92 . . . . 1.75 109.89 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.63 -43.81 98.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 1.0800000000000001 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -57.55 -51.52 69.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.295 -0.878 . . . . 1.22 109.463 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.98 -39.53 94.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 1.73 109.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.85 -52.3 66.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.84 -43.53 98.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.176 -0.953 . . . . 1.1100000000000001 109.469 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.75 -35.87 75.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.9099999999999999 109.407 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.3 -49.23 74.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -0.868 . . . . 1.1699999999999999 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.07 -48.57 78.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.444 -0.785 . . . . 2.1499999999999999 108.951 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.25 -31.15 67.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.543 -0.723 . . . . 1.4399999999999999 109.6 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.0 84.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.255 -0.903 . . . . 1.3 109.939 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -82.13 -8.97 59.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.096 -1.003 . . . . 1.3999999999999999 109.525 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -4.4 27.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 1.6000000000000001 109.175 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.9 -2.44 90.66 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -86.0 100.56 12.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.127 -1.219 . . . . 4.5499999999999998 109.269 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -52.02 154.34 3.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 5.6699999999999999 109.05 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.56 153.18 36.72 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.095 1.197 . . . . 6.1200000000000001 110.003 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.955 -1.47 . . . . 7.2699999999999996 109.646 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.438 -0.579 . . . . 7.6600000000000001 109.438 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.74 88.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.245 -0.909 . . . . 7.5099999999999998 109.445 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.77 66.81 1.42 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 6.8099999999999996 109.299 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.14 131.83 29.85 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 121.369 1.379 . . . . 5.1500000000000004 110.034 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.4 mt -80.72 66.71 6.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.945 . . . . 4.7000000000000002 109.246 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.28 133.82 35.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.694 -0.628 . . . . 2.48 110.216 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.76 -178.5 26.45 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.837 -1.305 . . . . 1.0800000000000001 109.837 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.531 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 21.1 mp0 -61.15 145.37 51.28 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -1.084 . . . . 1.7 109.541 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 30.4 m-85 -98.0 151.83 19.91 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -0.891 . . . . 1.04 110.418 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.41 135.77 32.4 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.374 -0.973 . . . . 0.65000000000000002 108.374 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 71.1 p -96.84 160.71 14.21 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.249 -0.907 . . . . 1.1399999999999999 109.715 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -148.2 134.56 19.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 1.0900000000000001 109.81 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.59 129.64 34.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.543 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.96 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 N-CA-C 109.044 -0.725 . . . . 1.1499999999999999 109.044 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.8 154.9 35.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 2.79 110.19 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 139.26 2.23 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.411 -1.076 . . . . 0.45000000000000001 110.411 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -82.82 -47.56 11.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.353 -1.087 . . . . 3.1600000000000001 109.342 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.54 -37.5 73.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.831 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.86 -38.91 90.03 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.394 -0.816 . . . . 3.54 109.23 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.54 -52.2 64.5 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.566 -0.709 . . . . 0.5 109.878 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.35 -39.13 60.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.956 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.97 -53.37 55.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 1.1499999999999999 110.054 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.84 -45.1 95.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.995 . . . . 0.34000000000000002 108.94 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.23 -41.68 60.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 2.9399999999999999 109.213 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.92 63.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 1.74 109.503 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -38.88 86.03 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 108.563 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -55.8 30.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.426 -0.796 . . . . 1.22 109.361 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.14 -34.07 76.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 1.72 109.497 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.77 -55.34 34.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 109.756 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.73 -44.77 96.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 1.0800000000000001 109.64 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.09 -34.81 73.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.231 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.57 -50.74 66.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.355 -0.841 . . . . 1.1499999999999999 109.667 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.08 99.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 2.1400000000000001 109.061 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.51 -33.78 66.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.488 -0.758 . . . . 1.4299999999999999 109.406 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.05 -47.82 67.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.265 -0.897 . . . . 1.3 109.672 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 49.9 mt-30 -80.91 -1.14 42.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 1.4199999999999999 109.643 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -84.55 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 1.5800000000000001 109.303 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.12 76.53 0.89 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.406 -1.477 . . . . 1.54 109.406 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.85 176.39 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.304 -1.115 . . . . 4.5499999999999998 109.534 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' A' ' 360' ' ' GLY . 40.5 mm-40 -50.3 152.09 3.31 Favored Pre-proline 0 N--CA 1.488 1.432 0 O-C-N 121.427 -0.796 . . . . 5.71 109.182 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.47 3.33 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 121.237 1.292 . . . . 6.0899999999999999 110.259 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.926 -1.486 . . . . 7.2400000000000002 109.593 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.459 -0.571 . . . . 7.6699999999999999 109.459 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.71 88.63 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -0.897 . . . . 7.46 109.508 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.8 66.79 1.42 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.218 -0.926 . . . . 6.79 109.31 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.17 131.86 29.89 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 121.36 1.373 . . . . 5.1500000000000004 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.75 66.59 6.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.942 . . . . 4.6600000000000001 109.284 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.99 135.08 35.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.63 -0.669 . . . . 2.4700000000000002 110.054 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -72.45 -178.64 33.12 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.807 -1.317 . . . . 1.0600000000000001 109.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 326' ' ' GLU . 21.2 mp0 -60.88 145.26 50.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.317 -1.108 . . . . 1.6100000000000001 109.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.4 m-85 -97.98 151.6 20.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.221 -0.924 . . . . 0.96999999999999997 110.438 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.15 135.82 32.86 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.29 -1.004 . . . . 0.59999999999999998 108.29 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.9 p -96.81 160.82 14.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.262 -0.899 . . . . 1.1000000000000001 109.74 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -148.24 134.44 19.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.355 -0.84 . . . . 1.1000000000000001 109.843 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.45 129.51 34.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 1.3600000000000001 109.593 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.3 mt -124.06 115.88 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.547 -0.721 . . . . 1.1699999999999999 109.108 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -75.67 155.13 36.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.365 -0.834 . . . . 2.79 110.206 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.14 139.2 2.1 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.429 -1.068 . . . . 0.47999999999999998 110.429 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -82.7 -47.76 11.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -1.08 . . . . 3.2200000000000002 109.264 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.5 -37.49 73.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.99 . . . . 2.21 108.814 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -61.79 -39.0 90.16 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.482 -0.761 . . . . 3.5499999999999998 109.257 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.46 -52.14 64.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.482 -0.761 . . . . 0.52000000000000002 110.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.37 -39.11 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.022 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -63.0 -53.33 55.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.107 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.85 -45.06 96.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.33000000000000002 108.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.2 -41.81 60.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 3.02 109.214 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.54 -52.82 64.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 1.75 109.61 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.55 -38.89 85.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 1.0700000000000001 108.607 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.63 -55.59 32.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.434 -0.791 . . . . 1.21 109.352 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.25 -33.96 76.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 109.536 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.83 -55.49 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.831 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.59 -44.92 96.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 109.566 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.125 -0.985 . . . . 1.9299999999999999 109.393 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.62 -50.63 66.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.279 -0.888 . . . . 1.1399999999999999 109.646 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.12 -43.14 99.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 109.013 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -56.43 -33.8 66.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.452 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.04 -47.9 67.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 1.3100000000000001 109.6 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 49.8 mt-30 -80.83 -1.16 42.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 1.3999999999999999 109.656 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -84.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.092 -1.005 . . . . 1.5700000000000001 109.29 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.06 76.54 0.88 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.453 -1.459 . . . . 1.53 109.453 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.82 176.43 8.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.303 -1.116 . . . . 4.5800000000000001 109.473 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' B' ' 360' ' ' GLY . 40.5 mm-40 -50.35 152.16 3.32 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.304 -0.872 . . . . 5.6799999999999997 109.051 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.61 3.37 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.215 1.277 . . . . 6.0499999999999998 110.183 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.906 -1.497 . . . . 7.2000000000000002 109.629 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.469 -0.567 . . . . 9.2200000000000006 109.469 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.77 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 8.5099999999999998 109.49 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.85 66.79 1.41 Allowed Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.188 -0.945 . . . . 7.4199999999999999 109.223 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.14 131.92 30.17 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.389 1.392 . . . . 5.0499999999999998 110.033 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.87 66.7 6.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 5.1399999999999997 109.303 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.16 134.14 35.58 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.613 -0.679 . . . . 2.8500000000000001 110.195 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.29 -178.71 29.06 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.806 -1.317 . . . . 1.27 109.806 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' C' ' 326' ' ' GLU . 21.4 mp0 -60.94 145.26 51.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -1.093 . . . . 2.1099999999999999 109.529 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 31.0 m-85 -98.08 151.72 20.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.268 -0.895 . . . . 1.01 110.397 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.26 135.9 32.77 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.373 -0.973 . . . . 0.57999999999999996 108.373 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -96.94 160.77 14.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.333 -0.854 . . . . 1.1599999999999999 109.737 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.0 tp -148.22 134.56 19.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.859 . . . . 1.1699999999999999 109.824 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.48 129.54 34.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.475 -0.765 . . . . 1.8100000000000001 109.607 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.12 116.0 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.536 -0.727 . . . . 1.1299999999999999 109.059 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.82 155.07 35.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.414 -0.804 . . . . 2.8199999999999998 110.132 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 139.23 2.18 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.371 -1.092 . . . . 0.45000000000000001 110.371 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.8 -47.66 11.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -1.076 . . . . 3.0800000000000001 109.247 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.44 -37.55 73.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 2.54 108.837 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.76 -39.07 90.33 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.387 -0.821 . . . . 4.1100000000000003 109.27 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -55.48 -52.18 64.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -0.779 . . . . 0.56999999999999995 109.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.42 -39.08 60.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.977 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.02 -53.36 55.11 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.191 -0.943 . . . . 1.29 110.065 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.84 -45.1 95.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.40000000000000002 108.877 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.21 -41.83 60.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.845 . . . . 3.8500000000000001 109.189 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -58.51 -52.81 64.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 1.78 109.595 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.52 -38.95 86.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 1.1699999999999999 108.606 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.59 -55.72 31.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.364 -0.835 . . . . 1.2 109.34 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.11 -34.04 76.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 2.1200000000000001 109.521 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.89 -55.4 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 109.763 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.63 -44.95 96.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.28 -0.888 . . . . 1.1399999999999999 109.626 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.85 -34.87 73.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 2.0899999999999999 109.341 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.66 -50.61 66.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.356 -0.84 . . . . 1.3799999999999999 109.644 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.14 99.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.379 -0.825 . . . . 2.6800000000000002 109.013 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -56.48 -33.8 66.31 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.417 -0.802 . . . . 1.3400000000000001 109.349 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.86 67.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.285 -0.885 . . . . 1.3 109.608 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.566 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 49.9 mt-30 -80.97 -1.04 42.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 1.8 109.666 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.66 -84.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 1.47 109.249 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.06 76.56 0.87 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.462 -1.455 . . . . 1.6599999999999999 109.462 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.86 176.4 8.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.244 -1.151 . . . . 4.7800000000000002 109.541 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' C' ' 360' ' ' GLY . 40.2 mm-40 -50.39 152.06 3.42 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.319 -0.863 . . . . 6.1900000000000004 109.087 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.31 3.24 0.27 Allowed 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.16 1.24 . . . . 6.1799999999999997 110.315 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.993 -1.448 . . . . 6.9000000000000004 109.634 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.271 0.558 . . . . 7.6900000000000004 109.499 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttp 54.56 88.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 7.4500000000000002 109.517 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.78 66.85 1.41 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.191 -0.943 . . . . 6.8399999999999999 109.268 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.18 131.83 29.79 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 121.385 1.39 . . . . 5.1200000000000001 110.018 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.81 66.83 6.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.943 . . . . 4.6600000000000001 109.215 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.3 134.09 35.53 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.683 -0.635 . . . . 2.46 110.134 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.15 -178.56 28.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.843 -1.303 . . . . 1.0800000000000001 109.843 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' D' ' 326' ' ' GLU . 21.1 mp0 -61.19 145.3 51.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 1.6699999999999999 109.542 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 30.1 m-85 -97.94 151.94 19.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.221 -0.924 . . . . 1.01 110.413 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.55 135.82 32.23 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.313 -0.995 . . . . 0.63 108.313 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 70.5 p -96.84 160.77 14.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.287 -0.883 . . . . 1.1299999999999999 109.725 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 35.7 tp -148.26 134.54 19.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.854 . . . . 1.1000000000000001 109.821 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.5 129.67 34.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.821 . . . . 1.3700000000000001 109.542 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.98 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.519 -0.738 . . . . 1.1499999999999999 109.1 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.73 154.96 36.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.808 . . . . 2.77 110.171 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.3 139.18 2.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.383 -1.087 . . . . 0.42999999999999999 110.383 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.68 -47.66 11.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -1.152 . . . . 3.1200000000000001 109.252 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -57.5 -37.65 73.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.051 -1.03 . . . . 2.2200000000000002 108.799 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.73 -38.99 90.0 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.503 -0.748 . . . . 3.5 109.213 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.52 -52.09 64.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.586 -0.696 . . . . 0.5 109.927 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.4 -39.18 60.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 1.6899999999999999 109.932 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.01 -53.29 56.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.078 -1.013 . . . . 1.1399999999999999 110.135 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.82 -45.07 95.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.32000000000000001 108.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.24 -41.75 60.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 2.96 109.163 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.81 64.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.75 109.598 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.6 -38.92 86.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 108.579 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.56 -55.64 32.18 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.422 -0.799 . . . . 1.22 109.355 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.2 -34.16 77.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 1.73 109.533 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -55.33 34.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.86 . . . . 1.0700000000000001 109.782 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.68 -44.79 96.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.833 . . . . 1.1100000000000001 109.672 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.14 -34.8 74.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.9099999999999999 109.265 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.6 -50.67 66.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -0.882 . . . . 1.1699999999999999 109.686 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.13 99.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 2.1499999999999999 108.999 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.44 -33.87 66.27 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.432 -0.792 . . . . 1.4399999999999999 109.423 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.82 67.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 1.3 109.634 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.566 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 49.7 mt-30 -80.9 -1.14 42.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.297 -0.877 . . . . 1.3999999999999999 109.679 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 1.6000000000000001 109.282 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.95 76.57 0.86 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.42 -1.472 . . . . 1.5 109.42 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.93 176.45 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.106 . . . . 4.5499999999999998 109.501 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' D' ' 360' ' ' GLY . 40.5 mm-40 -50.33 152.15 3.3 Favored Pre-proline 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 5.6699999999999999 109.095 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.56 3.39 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 121.15 1.233 . . . . 6.1200000000000001 110.239 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.937 -1.479 . . . . 7.2699999999999996 109.64 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.279 -0.637 . . . . 7.6600000000000001 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 319' ' ' LYS . 77.3 mttt 57.24 109.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.252 -0.905 . . . . 7.5099999999999998 109.588 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.71 148.43 65.36 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.112 -0.993 . . . . 6.8099999999999996 108.798 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.76 -2.88 4.85 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 120.783 0.989 . . . . 5.1500000000000004 110.354 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.48 89.52 7.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.954 -1.091 . . . . 4.7000000000000002 109.94 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -84.99 -164.07 0.93 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 2.48 109.199 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.26 53.52 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.622 -1.391 . . . . 1.0800000000000001 109.622 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.39 136.2 57.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -1.144 . . . . 1.7 109.277 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.91 145.82 26.07 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.384 -0.822 . . . . 1.04 110.036 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -140.43 136.58 33.19 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.443 -0.947 . . . . 0.65000000000000002 108.443 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.67 162.42 13.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.37 -0.831 . . . . 1.1399999999999999 109.181 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 41.0 tp -149.4 132.32 16.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0900000000000001 109.941 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.41 126.39 33.2 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.83 111.0 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 O-C-N 121.587 -0.696 . . . . 1.1499999999999999 109.302 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.81 150.25 37.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.368 -0.832 . . . . 2.79 109.712 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.74 138.58 8.15 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.973 -1.251 . . . . 0.45000000000000001 109.973 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -84.72 -51.18 6.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -1.07 . . . . 3.1600000000000001 109.499 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.63 -42.28 83.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.33 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.56 -44.72 96.52 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.332 -0.855 . . . . 3.54 109.339 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.9 -55.1 34.24 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.673 -0.642 . . . . 0.5 109.772 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -52.39 -38.2 58.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.6599999999999999 109.936 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.23 70.49 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 110.615 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.34 -43.09 99.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.34000000000000002 109.17 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.69 -44.46 63.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 2.9399999999999999 109.386 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.79 -45.85 92.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.306 -0.871 . . . . 1.74 109.725 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.29 -0.881 . . . . 1.0700000000000001 109.224 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.44 -50.83 72.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.203 -0.935 . . . . 1.22 109.322 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.2 -36.68 82.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 1.72 109.355 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.35 70.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.304 -0.872 . . . . 1.0700000000000001 109.626 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 46.9 mt -62.34 -45.25 94.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.0800000000000001 109.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.58 -35.01 73.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.286 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.75 -50.32 69.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.418 -0.801 . . . . 1.1499999999999999 109.182 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.22 -40.07 88.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 2.1400000000000001 109.034 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 348' ' ' LEU . 1.8 m-20 -56.48 -36.18 68.8 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.516 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.908 . . . . 1.3 109.658 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.89 -1.18 42.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.4199999999999999 109.369 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.79 -46.25 66.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 1.5800000000000001 109.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.21 2.21 85.09 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.702 -1.359 . . . . 1.54 109.702 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.35 145.85 27.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -1.12 . . . . 4.5499999999999998 109.553 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -46.87 109.67 1.1 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 5.71 109.371 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.25 162.39 20.24 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 120.645 0.897 . . . . 6.0899999999999999 109.947 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 118.048 -1.418 . . . . 7.2400000000000002 109.595 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.374 -0.602 . . . . 7.6699999999999999 109.374 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 319' ' ' LYS . 77.3 mttt 57.15 109.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.323 -0.86 . . . . 7.46 109.582 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.82 148.48 65.09 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.207 -0.933 . . . . 6.79 108.765 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.81 -2.83 4.86 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 120.861 1.04 . . . . 5.1500000000000004 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.49 89.44 7.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.931 -1.106 . . . . 4.6600000000000001 110.026 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -84.95 -163.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.393 -0.817 . . . . 2.4700000000000002 109.164 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.95 157.17 53.51 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.607 -1.397 . . . . 1.0600000000000001 109.607 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.18 136.21 57.88 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.226 -1.161 . . . . 1.6100000000000001 109.402 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.9 145.59 26.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.273 -0.892 . . . . 0.96999999999999997 110.157 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.29 136.44 33.28 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.452 -0.944 . . . . 0.59999999999999998 108.452 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.2 p -97.53 162.45 13.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.374 -0.829 . . . . 1.1000000000000001 109.2 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 41.2 tp -149.45 132.35 16.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.258 -0.901 . . . . 1.1000000000000001 109.906 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.36 126.35 33.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.612 -0.885 . . . . 1.3600000000000001 108.612 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.77 111.06 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.574 -0.704 . . . . 1.1699999999999999 109.35 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.89 150.27 37.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.79 109.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.61 8.12 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.032 -1.227 . . . . 0.47999999999999998 110.032 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -84.79 -51.15 6.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.404 -1.056 . . . . 3.2200000000000002 109.537 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.54 -42.45 82.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 2.21 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.45 -44.76 96.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.381 -0.825 . . . . 3.5499999999999998 109.343 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -54.98 -55.07 34.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.579 -0.7 . . . . 0.52000000000000002 109.759 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -52.37 -38.18 58.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 1.6799999999999999 109.975 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.44 -50.41 69.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.263 -0.898 . . . . 1.1499999999999999 110.525 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.22 -43.08 99.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.33000000000000002 109.213 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.73 -44.43 63.26 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.126 -0.984 . . . . 3.02 109.335 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.86 -45.77 93.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.201 -0.937 . . . . 1.75 109.73 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.219 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.43 -50.94 71.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.21 109.309 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.17 -36.62 82.41 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 109.398 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.32 70.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 1.0600000000000001 109.583 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.27 -45.03 95.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.35 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.9 -34.92 73.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.316 -0.865 . . . . 1.9299999999999999 109.243 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.78 -50.19 69.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.414 -0.804 . . . . 1.1399999999999999 109.192 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.32 -40.17 89.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 2.1899999999999999 108.942 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.52 -36.11 68.83 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.649 -0.657 . . . . 1.4299999999999999 109.514 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.25 83.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.3100000000000001 109.709 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.86 -1.25 42.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -0.948 . . . . 1.3999999999999999 109.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.23 66.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.5700000000000001 109.528 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 2.31 85.01 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.32 145.83 27.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -1.188 . . . . 4.5800000000000001 109.512 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -46.86 109.72 1.11 Allowed Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.308 -0.87 . . . . 5.6799999999999997 109.317 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.31 162.4 20.35 Favored 'Trans proline' 0 C--O 1.215 -0.667 0 C-N-CA 120.598 0.865 . . . . 6.0499999999999998 109.929 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 CA-C-O 117.983 -1.454 . . . . 7.2000000000000002 109.614 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.334 -0.617 . . . . 9.2200000000000006 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' C' ' 319' ' ' LYS . 77.3 mttt 57.26 109.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 8.5099999999999998 109.581 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -80.86 148.5 65.0 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.166 -0.959 . . . . 7.4199999999999999 108.769 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.86 -2.84 4.91 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.844 1.03 . . . . 5.0499999999999998 110.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.46 89.44 7.41 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.985 -1.072 . . . . 5.1399999999999997 109.976 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -84.98 -163.99 0.92 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.398 -0.814 . . . . 2.8500000000000001 109.156 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.74 157.21 53.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.606 -1.397 . . . . 1.27 109.606 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.24 136.25 57.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -1.184 . . . . 2.1099999999999999 109.358 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.95 145.69 26.22 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.221 -0.924 . . . . 1.01 110.145 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.28 136.56 33.41 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.427 -0.953 . . . . 0.57999999999999996 108.427 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -97.55 162.51 13.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.376 -0.828 . . . . 1.1599999999999999 109.294 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.5 132.26 15.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 1.1699999999999999 110.014 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.33 126.29 33.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.603 -0.888 . . . . 1.8100000000000001 108.603 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.4 mt -123.8 111.02 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.499 -0.751 . . . . 1.1299999999999999 109.294 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.75 150.27 37.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.369 -0.832 . . . . 2.8199999999999998 109.632 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.5 8.06 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.992 -1.243 . . . . 0.45000000000000001 109.992 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.66 -51.17 7.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -1.061 . . . . 3.0800000000000001 109.525 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.59 -42.33 82.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 2.54 109.349 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.62 -44.64 96.62 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 4.1100000000000003 109.303 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -55.03 35.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.604 -0.685 . . . . 0.56999999999999995 109.685 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.43 -38.26 58.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.968 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.39 -50.26 70.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 1.29 110.596 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.27 -43.13 99.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 0.40000000000000002 109.208 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.63 -44.55 62.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 3.8500000000000001 109.407 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.78 -45.83 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.315 -0.865 . . . . 1.78 109.73 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.53 -43.42 98.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.21 -0.931 . . . . 1.1699999999999999 109.232 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -58.54 -50.9 72.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 1.2 109.284 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.02 -36.76 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 109.417 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.32 70.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 1.0700000000000001 109.552 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 46.5 mt -62.34 -45.04 95.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 1.1399999999999999 109.385 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.88 -34.94 73.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.226 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.68 -50.19 70.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.331 -0.855 . . . . 1.3799999999999999 109.255 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.34 -40.18 89.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 2.6800000000000002 108.996 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' C' ' 348' ' ' LEU . 1.8 m-20 -56.51 -36.12 68.82 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.427 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.14 83.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.877 . . . . 1.3 109.66 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.89 -1.25 42.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 1.8 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.29 66.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 1.47 109.491 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.3 2.35 84.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.69 -1.364 . . . . 1.6599999999999999 109.69 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.34 145.87 27.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.244 -1.151 . . . . 4.7800000000000002 109.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.97 109.79 1.13 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 6.1900000000000004 109.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -61.31 162.46 20.17 Favored 'Trans proline' 0 C--O 1.215 -0.641 0 C-N-CA 120.584 0.856 . . . . 6.1799999999999997 109.955 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.994 -1.448 . . . . 6.9000000000000004 109.602 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.294 -0.632 . . . . 7.6900000000000004 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' D' ' 319' ' ' LYS . 77.3 mttt 57.24 109.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 7.4500000000000002 109.605 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.76 148.45 65.23 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 6.8399999999999999 108.78 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.8 -2.9 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 120.839 1.026 . . . . 5.1200000000000001 110.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.43 89.51 7.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.952 -1.092 . . . . 4.6600000000000001 110.007 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -85.05 -163.92 0.91 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -0.809 . . . . 2.46 109.217 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.6 157.19 53.52 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.673 -1.371 . . . . 1.0800000000000001 109.673 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.27 136.26 57.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -1.141 . . . . 1.6699999999999999 109.413 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -97.93 145.6 26.3 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.218 -0.926 . . . . 1.01 110.125 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.3 136.36 33.17 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.526 -0.916 . . . . 0.63 108.526 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.56 162.44 13.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.368 -0.833 . . . . 1.1299999999999999 109.195 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.38 132.33 16.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.165 -0.959 . . . . 1.1000000000000001 109.941 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -84.33 126.33 33.11 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.61 -0.885 . . . . 1.3700000000000001 108.61 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.82 111.05 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.6 -0.688 . . . . 1.1499999999999999 109.385 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.75 150.18 37.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.482 -0.761 . . . . 2.77 109.732 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.72 138.57 8.14 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.996 -1.242 . . . . 0.42999999999999999 109.996 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.75 -51.13 7.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -1.073 . . . . 3.1200000000000001 109.518 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.51 -42.53 82.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.362 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.39 -44.7 96.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.296 -0.878 . . . . 3.5 109.308 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.12 -54.99 36.16 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.585 -0.697 . . . . 0.5 109.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.025 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.35 70.02 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 1.1399999999999999 110.506 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.29 -43.02 99.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.32000000000000001 109.212 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.71 -44.49 63.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.145 -0.972 . . . . 2.96 109.387 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.84 -45.83 92.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.75 109.689 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.44 -43.56 98.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.051 -1.031 . . . . 1.0800000000000001 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -58.44 -50.97 71.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 1.22 109.335 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -36.68 82.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.835 . . . . 1.73 109.472 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -51.34 70.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.62 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.9 mt -62.3 -45.17 94.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 1.1100000000000001 109.334 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.74 -34.93 73.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.252 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.79 -50.3 69.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.371 -0.831 . . . . 1.1699999999999999 109.195 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.29 -40.01 88.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 2.1499999999999999 109.048 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.61 -36.07 69.0 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.69 -0.632 . . . . 1.4399999999999999 109.423 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.1 83.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.3 109.662 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.93 -1.19 42.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 1.3999999999999999 109.328 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.23 66.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.285 -0.884 . . . . 1.6000000000000001 109.519 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 2.32 84.98 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.38 145.8 27.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.304 -1.115 . . . . 4.5499999999999998 109.573 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.87 109.7 1.1 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 5.6699999999999999 109.38 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.31 162.51 20.01 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 109.946 -0.828 . . . . 6.1200000000000001 109.946 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 CA-C-O 117.983 -1.454 . . . . 7.2699999999999996 109.59 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 49.8 mttp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.324 0.583 . . . . 7.6600000000000001 109.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 321' ' ' LYS . 82.0 tttt 55.56 76.12 0.29 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 7.5099999999999998 109.427 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 320' ' ' LYS . 11.9 mtpp 61.07 148.44 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.542 -0.724 . . . . 6.8099999999999996 109.492 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.52 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 121.001 1.134 . . . . 5.1500000000000004 109.713 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 50.3 mt -80.45 118.16 21.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.339 -0.851 . . . . 4.7000000000000002 109.309 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.02 -110.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.31 -0.869 . . . . 2.48 109.982 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.01 157.56 53.42 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.973 -1.251 . . . . 1.0800000000000001 109.973 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -58.96 137.04 58.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.46 -1.023 . . . . 1.7 109.439 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.49 147.79 23.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.301 -0.874 . . . . 1.04 109.915 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.56 -173.26 3.3 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.747 -0.834 . . . . 0.65000000000000002 108.747 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -150.58 149.92 30.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.171 -0.956 . . . . 1.1399999999999999 108.637 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.9 tp -142.09 133.28 26.23 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.295 -0.878 . . . . 1.0900000000000001 109.673 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.44 128.19 34.64 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.962 -0.755 . . . . 1.3700000000000001 108.962 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.86 114.76 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.5 -0.75 . . . . 1.1499999999999999 109.269 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -75.38 147.82 39.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.341 -0.849 . . . . 2.79 109.835 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.75 5.36 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.211 -1.155 . . . . 0.45000000000000001 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.34 -44.38 14.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -1.084 . . . . 3.1600000000000001 109.223 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.43 -46.7 83.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.866 . . . . 2.2200000000000002 109.075 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -62.88 -43.05 99.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 3.54 109.148 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.81 -55.6 28.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.621 -0.674 . . . . 0.5 109.751 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.75 -37.54 51.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 109.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -62.92 -52.44 63.05 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.241 -0.912 . . . . 1.1499999999999999 110.299 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.23 -42.75 99.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.34000000000000002 109.109 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.95 -42.49 62.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 2.9399999999999999 109.318 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.95 -51.96 67.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 1.74 109.782 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.35 -38.17 82.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.114 -0.991 . . . . 1.0700000000000001 108.837 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.32 -54.87 41.81 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.7 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -61.88 -34.14 75.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.72 109.798 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.71 72.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.737 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.86 -42.46 99.08 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.368 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.38 -40.81 83.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 108.888 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.53 -41.92 98.46 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.775 -0.824 . . . . 1.1499999999999999 108.775 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.252 -0.905 . . . . 2.1400000000000001 108.712 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.31 66.48 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.197 0.522 . . . . 1.4299999999999999 109.948 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.52 82.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.983 . . . . 1.3 109.746 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.57 1.26 34.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.87 . . . . 1.4199999999999999 109.832 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.63 -81.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.008 . . . . 1.5800000000000001 109.594 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.35 83.97 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.622 -1.391 . . . . 1.54 109.622 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.05 165.38 17.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.317 -1.108 . . . . 4.5499999999999998 109.631 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.11 153.17 2.49 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.847 . . . . 5.71 108.936 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.46 129.27 34.22 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.04 1.16 . . . . 6.0899999999999999 109.914 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 118.019 -1.434 . . . . 7.2400000000000002 109.57 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 49.8 mttp . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.329 0.585 . . . . 7.6699999999999999 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 321' ' ' LYS . 81.9 tttt 55.62 76.15 0.29 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.307 -0.87 . . . . 7.46 109.463 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 320' ' ' LYS . 11.9 mtpp 60.92 148.46 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.58 -0.7 . . . . 6.79 109.497 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.49 -81.03 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 120.958 1.106 . . . . 5.1500000000000004 109.763 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.47 118.12 21.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.366 -0.834 . . . . 4.6600000000000001 109.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -80.02 -110.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.38 -0.825 . . . . 2.4700000000000002 109.989 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 157.5 53.35 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.008 -1.237 . . . . 1.0600000000000001 110.008 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.0 136.98 58.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -1.128 . . . . 1.6100000000000001 109.463 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -96.45 147.72 23.54 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.343 -0.848 . . . . 0.96999999999999997 109.941 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -135.5 -173.21 3.28 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.761 -0.829 . . . . 0.59999999999999998 108.761 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -150.66 149.77 30.26 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 108.645 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -141.95 133.31 26.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.721 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.38 128.2 34.63 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.962 -0.755 . . . . 1.3600000000000001 108.962 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.89 114.71 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.53 -0.731 . . . . 1.1699999999999999 109.294 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -75.22 147.82 40.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 2.79 109.959 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.92 136.73 5.31 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.248 -1.141 . . . . 0.47999999999999998 110.248 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.33 -44.33 15.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.479 -1.012 . . . . 3.2200000000000002 109.208 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -57.54 -46.83 83.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.265 -0.897 . . . . 2.21 109.043 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.56 -43.16 99.51 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 3.5499999999999998 109.206 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -54.81 -55.68 27.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.498 -0.751 . . . . 0.52000000000000002 109.719 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.77 -37.44 51.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.901 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.41 63.12 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.354 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.21 -42.78 99.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.117 -0.99 . . . . 0.33000000000000002 109.053 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.99 -42.49 63.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 3.02 109.353 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.87 -51.94 67.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.915 . . . . 1.75 109.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.25 -38.29 83.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.083 -1.01 . . . . 1.0700000000000001 108.858 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.35 -54.85 41.98 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 1.21 109.664 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -34.09 75.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 109.841 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.69 72.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 1.0600000000000001 109.781 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.89 -42.45 99.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.16 -0.963 . . . . 1.0800000000000001 109.389 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -58.42 -40.77 83.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 108.817 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 1.1399999999999999 108.819 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.47 -44.26 97.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 2.1899999999999999 108.654 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.22 -32.37 66.44 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.78 -0.575 . . . . 1.4299999999999999 110.021 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.55 83.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 1.3100000000000001 109.797 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.52 1.16 34.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 1.3999999999999999 109.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.62 -81.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.079 -1.013 . . . . 1.5700000000000001 109.608 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.25 83.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.6 -1.4 . . . . 1.53 109.6 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.09 165.32 17.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -1.133 . . . . 4.5800000000000001 109.664 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.06 153.17 2.46 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.413 -0.804 . . . . 5.6799999999999997 108.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.47 129.29 34.34 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 121.083 1.189 . . . . 6.0499999999999998 109.93 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.557 -1.417 . . . . 7.2000000000000002 109.557 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 49.9 mttp . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.378 0.609 . . . . 9.2200000000000006 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' C' ' 321' ' ' LYS . 81.9 tttt 55.62 76.13 0.29 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.261 -0.9 . . . . 8.5099999999999998 109.414 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' C' ' 320' ' ' LYS . 11.9 mtpp 60.98 148.45 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.529 -0.732 . . . . 7.4199999999999999 109.454 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.53 -81.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 120.974 1.116 . . . . 5.0499999999999998 109.753 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.46 118.08 21.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 5.1399999999999997 109.395 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -80.03 -110.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.358 -0.839 . . . . 2.8500000000000001 109.939 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 157.56 53.42 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.994 -1.242 . . . . 1.27 109.994 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.01 136.98 58.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -1.09 . . . . 2.1099999999999999 109.449 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.47 147.86 23.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.88 . . . . 1.01 109.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -135.6 -173.21 3.29 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.755 -0.831 . . . . 0.57999999999999996 108.755 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.3 p -150.6 149.96 30.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.093 -1.005 . . . . 1.1599999999999999 108.577 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.1 133.34 26.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.666 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.42 128.24 34.65 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.96 -0.756 . . . . 1.8100000000000001 108.96 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.87 114.74 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.442 -0.786 . . . . 1.1299999999999999 109.247 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.37 147.76 39.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.81 . . . . 2.8199999999999998 109.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.78 5.37 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.225 -1.15 . . . . 0.45000000000000001 110.225 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -83.33 -44.36 14.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.442 -1.034 . . . . 3.0800000000000001 109.225 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.54 -46.67 83.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.308 -0.87 . . . . 2.54 109.04 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.83 -43.03 99.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.286 -0.884 . . . . 4.1100000000000003 109.149 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -54.89 -55.66 28.09 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.643 -0.661 . . . . 0.56999999999999995 109.764 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.68 -37.46 50.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.932 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.45 62.98 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.247 -0.908 . . . . 1.29 110.302 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -42.7 99.07 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.115 -0.991 . . . . 0.40000000000000002 109.089 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -51.99 -42.55 63.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 3.8500000000000001 109.297 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.91 -51.9 67.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.78 109.839 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.26 -38.3 83.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 1.1699999999999999 108.871 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.34 -54.84 42.17 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.468 -0.77 . . . . 1.2 109.658 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -61.87 -34.09 75.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 2.1200000000000001 109.783 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.69 72.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 109.721 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.87 -42.41 99.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.133 -0.98 . . . . 1.1399999999999999 109.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.0899999999999999 108.758 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.76 -41.66 97.96 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.775 -0.824 . . . . 1.3799999999999999 108.775 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.6 -44.2 97.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.6800000000000002 108.657 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -32.33 66.35 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.191 0.52 . . . . 1.3400000000000001 110.049 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 1.3 109.81 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.55 1.22 34.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.8 109.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.66 -81.7 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 1.47 109.577 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.31 83.92 0.1 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.63 -1.388 . . . . 1.6599999999999999 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -84.99 165.34 17.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -1.151 . . . . 4.7800000000000002 109.691 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.09 153.17 2.48 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.275 -0.89 . . . . 6.1900000000000004 108.845 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.52 129.23 34.0 Favored 'Trans proline' 0 C--N 1.322 -0.837 0 C-N-CA 121.05 1.167 . . . . 6.1799999999999997 109.889 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.071 -1.405 . . . . 6.9000000000000004 109.604 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 49.7 mttp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.37 0.605 . . . . 7.6900000000000004 109.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 321' ' ' LYS . 81.9 tttt 55.67 76.06 0.29 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.234 -0.916 . . . . 7.4500000000000002 109.445 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 320' ' ' LYS . 12.0 mtpp 61.01 148.54 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.641 -0.662 . . . . 6.8399999999999999 109.449 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.57 -80.98 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 121.027 1.151 . . . . 5.1200000000000001 109.757 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 50.5 mt -80.49 118.12 21.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.393 -0.817 . . . . 4.6600000000000001 109.308 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.02 -110.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.84 . . . . 2.46 109.956 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 157.55 53.4 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.987 -1.245 . . . . 1.0800000000000001 109.987 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -58.93 136.99 58.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.373 -1.075 . . . . 1.6699999999999999 109.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -96.38 147.81 23.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.272 -0.892 . . . . 1.01 109.927 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.61 -173.3 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.746 -0.835 . . . . 0.63 108.746 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.6 p -150.67 149.64 30.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 1.1299999999999999 108.741 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.6 tp -141.88 133.32 26.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.324 -0.86 . . . . 1.1000000000000001 109.728 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.46 128.22 34.66 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.954 -0.758 . . . . 1.3700000000000001 108.954 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.84 114.79 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.462 -0.774 . . . . 1.1499999999999999 109.266 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.36 147.74 39.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.422 -0.798 . . . . 2.77 109.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.01 136.81 5.39 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.207 -1.157 . . . . 0.42999999999999999 110.207 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -83.35 -44.38 14.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.417 -1.049 . . . . 3.1200000000000001 109.235 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -57.5 -46.64 83.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -0.85 . . . . 2.2200000000000002 109.134 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.84 -43.07 99.78 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.362 -0.836 . . . . 3.5 109.181 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -54.84 -55.66 27.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.554 -0.716 . . . . 0.5 109.758 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -51.68 -37.49 50.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.312 -0.868 . . . . 1.6899999999999999 109.922 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -63.01 -52.4 63.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.275 -0.891 . . . . 1.1399999999999999 110.283 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -42.74 99.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.32000000000000001 109.116 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.98 -42.5 63.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 2.96 109.316 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.99 -51.86 67.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 1.75 109.819 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.27 -38.33 83.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.931 . . . . 1.0800000000000001 108.836 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.32 -54.84 42.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.453 -0.78 . . . . 1.22 109.634 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -61.89 -34.11 75.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 1.73 109.767 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -50.64 72.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.769 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.92 -42.43 99.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 1.1100000000000001 109.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.52 -40.7 83.66 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.241 -0.912 . . . . 1.9099999999999999 108.824 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.59 -41.73 98.32 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.835 -0.802 . . . . 1.1699999999999999 108.835 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.55 -44.23 97.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 2.1499999999999999 108.738 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.27 66.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.842 -0.536 . . . . 1.4399999999999999 110.034 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.53 82.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 1.3 109.768 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.57 1.25 34.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.351 -0.843 . . . . 1.3999999999999999 109.814 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.74 -81.67 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 1.6000000000000001 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.36 83.97 0.1 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.617 -1.393 . . . . 1.5 109.617 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -84.96 165.44 17.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.256 -1.143 . . . . 4.5499999999999998 109.671 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.24 153.19 2.6 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 5.6699999999999999 108.84 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.39 129.19 33.83 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.09 1.193 . . . . 6.1200000000000001 110.009 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.034 -1.426 . . . . 7.2699999999999996 109.549 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.517 -0.549 . . . . 7.6600000000000001 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 321' ' ' LYS . 68.0 mmtt 52.94 17.91 0.98 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.291 -0.881 . . . . 7.5099999999999998 109.598 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 320' ' ' LYS . 51.4 mttp 59.51 147.65 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.805 -0.56 . . . . 6.8099999999999996 109.524 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 321' ' ' LYS . 3.3 Cg_exo -56.23 -162.08 0.01 OUTLIER 'Trans proline' 0 C--O 1.216 -0.618 0 C-N-CA 120.951 1.101 . . . . 5.1500000000000004 110.039 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.18 120.47 24.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 4.7000000000000002 109.423 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.78 -93.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.918 . . . . 2.48 109.466 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.68 146.51 45.37 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.486 -1.446 . . . . 1.0800000000000001 109.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.46 125.32 23.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -1.056 . . . . 1.7 109.737 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 39.0 m-85 -93.67 154.42 17.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.208 -0.933 . . . . 1.04 109.231 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.91 -175.17 4.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.256 -0.902 . . . . 0.65000000000000002 109.573 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.79 148.36 29.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.296 -0.878 . . . . 1.1399999999999999 108.716 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.5 tp -141.07 133.3 28.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.359 -0.838 . . . . 1.0900000000000001 109.819 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.61 131.38 34.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.757 -0.831 . . . . 1.3700000000000001 108.757 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.1 mt -123.65 110.15 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 CA-C-O 121.642 0.734 . . . . 1.1499999999999999 109.436 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.409 ' C ' ' CD ' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.14 20.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.605 -0.684 . . . . 2.79 109.413 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.77 130.75 3.93 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.796 -1.321 . . . . 0.45000000000000001 109.796 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.411 ' HG2' HH11 ' A' ' 335' ' ' ARG . 19.8 ttt-85 -78.94 -50.38 11.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -1.129 . . . . 3.1600000000000001 109.105 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.64 -45.07 85.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.335 -0.853 . . . . 2.2200000000000002 109.239 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.32 -41.09 98.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.298 -0.876 . . . . 3.54 109.447 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.22 -55.93 25.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 0.5 109.944 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.75 -38.32 47.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 110.021 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.121 -0.987 . . . . 1.1499999999999999 110.519 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.98 98.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.067 -1.021 . . . . 0.34000000000000002 109.295 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.48 -44.6 62.53 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.212 -0.93 . . . . 2.9399999999999999 109.567 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.39 -42.96 99.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 1.74 110.09 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.29 -39.75 91.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 1.0700000000000001 109.492 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -58.36 -52.71 64.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 1.22 109.824 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.72 -31.53 72.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 1.72 109.777 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -56.26 24.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 1.0700000000000001 110.22 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.16 -39.75 91.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.0800000000000001 109.514 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.09 -41.78 88.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.302 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.21 -42.6 96.54 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.391 -0.966 . . . . 1.1499999999999999 108.391 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.303 -0.999 . . . . 2.1400000000000001 108.303 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -32.47 67.27 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.094 -0.706 . . . . 1.4299999999999999 109.094 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.9 65.79 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.335 -0.853 . . . . 1.3 109.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.27 -25.77 33.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 1.4199999999999999 109.218 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.77 -3.36 28.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.868 . . . . 1.5800000000000001 109.496 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.65 -1.02 60.62 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.88 -1.288 . . . . 1.54 109.88 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.12 42.65 1.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -1.199 . . . . 4.5499999999999998 109.245 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.79 154.77 2.24 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.375 -0.828 . . . . 5.71 109.184 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.59 156.43 14.51 Favored 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.123 1.215 . . . . 6.0899999999999999 109.998 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.487 -1.445 . . . . 7.2400000000000002 109.487 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.486 -0.561 . . . . 7.6699999999999999 109.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 321' ' ' LYS . 68.0 mmtt 52.96 17.93 0.99 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.327 -0.858 . . . . 7.46 109.557 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 320' ' ' LYS . 51.3 mttp 59.59 147.67 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.72 -0.612 . . . . 6.79 109.52 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' B' ' 321' ' ' LYS . 3.3 Cg_exo -56.27 -161.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 120.924 1.083 . . . . 5.1500000000000004 110.086 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -80.26 120.39 24.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.858 . . . . 4.6600000000000001 109.381 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.68 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 2.4700000000000002 109.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.73 146.51 45.3 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.512 -1.435 . . . . 1.0600000000000001 109.512 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.43 125.3 23.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -1.09 . . . . 1.6100000000000001 109.717 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 39.5 m-85 -93.71 154.47 17.78 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.235 -0.916 . . . . 0.96999999999999997 109.344 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -138.89 -175.13 4.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.248 -0.907 . . . . 0.59999999999999998 109.512 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.91 148.25 28.89 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.639 -0.875 . . . . 1.1000000000000001 108.639 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.16 133.26 27.85 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.264 -0.898 . . . . 1.1000000000000001 109.753 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.58 131.35 34.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.754 -0.832 . . . . 1.3600000000000001 108.754 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.5 mt -123.58 110.1 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.491 -0.755 . . . . 1.1699999999999999 109.52 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.411 ' C ' ' CD ' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.16 20.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.643 -0.66 . . . . 2.79 109.414 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.8 130.63 3.91 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.823 -1.311 . . . . 0.47999999999999998 109.823 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.413 ' HG2' HH11 ' B' ' 335' ' ' ARG . 20.0 ttt-85 -78.83 -50.33 11.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.121 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.68 -45.1 86.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.872 . . . . 2.21 109.245 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.35 -40.94 98.67 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 3.5499999999999998 109.394 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.25 -55.96 25.41 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.524 -0.735 . . . . 0.52000000000000002 109.96 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -38.38 46.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.038 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.19 -51.95 61.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.165 -0.959 . . . . 1.1499999999999999 110.46 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.94 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.049 -1.032 . . . . 0.33000000000000002 109.218 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.42 -44.74 62.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.244 -0.91 . . . . 3.02 109.575 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.23 -43.11 99.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.75 110.085 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.3 -39.64 91.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.482 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.45 -52.7 64.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.939 . . . . 1.21 109.729 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -31.53 72.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.6899999999999999 109.806 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.97 -56.42 22.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 1.0600000000000001 110.154 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.14 -39.77 91.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.114 -0.991 . . . . 1.0800000000000001 109.47 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.02 -41.77 88.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.415 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.21 -42.55 96.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.422 -0.955 . . . . 1.1399999999999999 108.422 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.36 -45.43 88.23 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.325 -0.991 . . . . 2.1899999999999999 108.325 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.66 -32.37 67.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.044 -0.724 . . . . 1.4299999999999999 109.044 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -23.89 65.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.297 -0.877 . . . . 1.3100000000000001 109.252 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.26 -25.72 33.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.88 . . . . 1.3999999999999999 109.302 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -3.45 28.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.312 -0.868 . . . . 1.5700000000000001 109.561 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.6 -1.01 60.44 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.949 -1.26 . . . . 1.53 109.949 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.12 42.71 1.0 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.18 -1.188 . . . . 4.5800000000000001 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 154.79 2.3 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.38 -0.825 . . . . 5.6799999999999997 109.165 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.51 156.39 14.41 Favored 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.147 1.231 . . . . 6.0499999999999998 109.968 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.452 -1.459 . . . . 7.2000000000000002 109.452 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.436 -0.579 . . . . 9.2200000000000006 109.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' C' ' 321' ' ' LYS . 68.0 mmtt 52.93 17.92 0.98 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.284 -0.885 . . . . 8.5099999999999998 109.554 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' C' ' 320' ' ' LYS . 51.3 mttp 59.59 147.63 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.797 -0.565 . . . . 7.4199999999999999 109.555 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' C' ' 321' ' ' LYS . 3.2 Cg_exo -56.29 -162.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 120.968 1.112 . . . . 5.0499999999999998 110.122 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.27 120.52 24.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.306 -0.871 . . . . 5.1399999999999997 109.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.71 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 2.8500000000000001 109.468 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.76 146.47 45.16 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.52 -1.432 . . . . 1.27 109.52 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.36 125.2 22.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.369 -1.077 . . . . 2.1099999999999999 109.747 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 39.2 m-85 -93.59 154.45 17.84 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.268 -0.895 . . . . 1.01 109.334 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -138.93 -175.04 4.01 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.309 -0.87 . . . . 0.57999999999999996 109.535 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.88 148.38 29.06 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.638 -0.875 . . . . 1.1599999999999999 108.638 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.25 133.2 27.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.875 . . . . 1.1699999999999999 109.743 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.52 131.34 34.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.746 -0.835 . . . . 1.8100000000000001 108.746 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.59 110.15 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.366 -0.834 . . . . 1.1299999999999999 109.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.403 ' C ' ' CD ' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -75.96 120.16 20.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.612 -0.68 . . . . 2.8199999999999998 109.429 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.82 130.72 3.92 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.758 -1.337 . . . . 0.45000000000000001 109.758 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.413 ' HG2' HH11 ' C' ' 335' ' ' ARG . 19.9 ttt-85 -78.88 -50.28 11.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.364 -1.08 . . . . 3.0800000000000001 109.09 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.78 -45.1 86.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.309 -0.869 . . . . 2.54 109.153 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.355 -0.841 . . . . 4.1100000000000003 109.475 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.26 -55.92 25.88 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.536 -0.728 . . . . 0.56999999999999995 109.959 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.82 -38.23 47.5 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 1.6599999999999999 110.063 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.25 -51.87 61.5 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.15 -0.969 . . . . 1.29 110.473 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.89 98.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.075 -1.015 . . . . 0.40000000000000002 109.307 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.58 -44.6 62.83 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.127 -0.983 . . . . 3.8500000000000001 109.593 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.33 -42.97 99.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.78 110.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.24 -39.79 91.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 1.1699999999999999 109.507 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.35 -52.71 64.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 1.2 109.754 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -31.45 72.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.224 -0.923 . . . . 2.1200000000000001 109.786 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -56.32 23.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.89 . . . . 1.0700000000000001 110.2 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.14 -39.72 91.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 1.1399999999999999 109.551 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.16 -41.73 89.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 109.341 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.24 -42.49 96.5 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.397 -0.964 . . . . 1.3799999999999999 108.397 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.39 -45.48 88.26 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.309 -0.997 . . . . 2.6800000000000002 108.309 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.54 -32.51 67.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.068 -0.716 . . . . 1.3400000000000001 109.068 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.99 65.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.371 -0.831 . . . . 1.3 109.253 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.21 -25.77 33.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.359 -0.838 . . . . 1.8 109.287 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -3.38 28.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 1.47 109.544 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.73 -0.93 60.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.902 -1.279 . . . . 1.6599999999999999 109.902 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.11 42.71 1.0 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.148 -1.207 . . . . 4.7800000000000002 109.208 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.89 154.75 2.31 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 6.1900000000000004 109.204 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.44 156.47 13.98 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.091 1.194 . . . . 6.1799999999999997 109.958 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 118.011 -1.439 . . . . 6.9000000000000004 109.511 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.454 -0.573 . . . . 7.6900000000000004 109.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' D' ' 321' ' ' LYS . 68.1 mmtt 53.01 17.87 0.99 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.231 -0.918 . . . . 7.4500000000000002 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' D' ' 320' ' ' LYS . 51.4 mttp 59.56 147.59 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 O-C-N 121.777 -0.577 . . . . 6.8399999999999999 109.535 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' D' ' 321' ' ' LYS . 3.3 Cg_exo -56.2 -162.07 0.01 OUTLIER 'Trans proline' 0 C--O 1.215 -0.66 0 C-N-CA 120.88 1.054 . . . . 5.1200000000000001 110.068 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -80.2 120.46 24.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 4.6600000000000001 109.434 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.71 -93.3 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 2.46 109.458 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.74 146.46 45.18 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.489 -1.445 . . . . 1.0800000000000001 109.489 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.39 125.32 23.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -1.088 . . . . 1.6699999999999999 109.694 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 39.1 m-85 -93.69 154.42 17.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.273 -0.892 . . . . 1.01 109.241 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -138.86 -175.09 4.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.63 109.595 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.4 p -149.92 148.28 28.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 1.1299999999999999 108.698 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 48.6 tp -141.2 133.17 27.63 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 109.772 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.44 131.29 34.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.792 -0.818 . . . . 1.3700000000000001 108.792 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.63 110.02 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.472 -0.768 . . . . 1.1499999999999999 109.513 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.41 ' C ' ' CD ' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -75.88 120.16 20.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.651 -0.656 . . . . 2.77 109.467 179.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.87 130.69 3.91 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 109.765 -1.334 . . . . 0.42999999999999999 109.765 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' D' ' 335' ' ' ARG . 19.6 ttt-85 -78.96 -50.28 11.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.354 -1.086 . . . . 3.1200000000000001 109.114 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.61 -45.27 85.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.822 . . . . 2.2200000000000002 109.173 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.372 -0.83 . . . . 3.5 109.499 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.23 -55.96 25.35 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.411 -0.805 . . . . 0.5 109.929 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.74 -38.4 47.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.6899999999999999 110.047 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.16 -51.81 62.04 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.224 -0.923 . . . . 1.1399999999999999 110.526 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.32000000000000001 109.279 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.54 -44.7 62.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.211 -0.931 . . . . 2.96 109.562 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.35 -42.88 99.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 1.75 110.139 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.28 -39.7 91.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.16 -0.963 . . . . 1.0800000000000001 109.539 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.37 -52.8 64.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 1.22 109.71 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.65 -31.55 72.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.73 109.823 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.99 -56.42 22.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 110.145 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.08 -39.79 91.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 1.1100000000000001 109.473 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.14 -41.66 88.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.339 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.25 -42.59 96.42 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.419 -0.956 . . . . 1.1699999999999999 108.419 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.289 -1.004 . . . . 2.1499999999999999 108.289 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.63 -32.45 67.27 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.055 -0.72 . . . . 1.4399999999999999 109.055 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.95 65.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 1.3 109.299 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.14 -25.81 34.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 1.3999999999999999 109.324 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.73 -3.41 28.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 1.6000000000000001 109.539 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.69 -0.94 60.53 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.96 -1.256 . . . . 1.5 109.96 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.17 42.76 1.01 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -1.218 . . . . 4.5499999999999998 109.226 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.92 154.86 2.27 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.385 -0.822 . . . . 5.6699999999999999 109.187 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.56 156.43 14.42 Favored 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 121.171 1.247 . . . . 6.1200000000000001 109.941 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.991 -1.45 . . . . 7.2699999999999996 109.478 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 320' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.421 -0.585 . . . . 7.6600000000000001 109.421 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 319' ' ' LYS . 6.2 ptmm? 35.41 69.94 0.16 Allowed 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.194 0.521 . . . . 7.5099999999999998 110.999 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' A' ' 323' ' ' LEU . 38.0 mtmt 53.55 77.16 0.46 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.16 -0.962 . . . . 6.8099999999999996 109.58 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.75 5.29 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.918 0 C-N-CA 121.284 1.323 . . . . 5.1500000000000004 110.228 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 321' ' ' LYS . 40.7 mt -80.45 113.33 18.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.051 -1.03 . . . . 4.7000000000000002 109.074 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.82 -122.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.251 -0.906 . . . . 2.48 109.856 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.98 158.59 51.71 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.786 -1.326 . . . . 1.0800000000000001 109.786 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.03 135.18 57.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.353 -1.086 . . . . 1.7 109.453 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.92 152.88 17.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.254 -0.904 . . . . 1.04 109.745 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.06 -166.78 1.75 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.533 -0.729 . . . . 0.65000000000000002 109.251 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -151.94 145.69 25.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.939 . . . . 1.1399999999999999 108.896 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.49 137.43 33.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.363 -0.836 . . . . 1.0900000000000001 109.847 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.01 133.52 33.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.909 -0.775 . . . . 1.3700000000000001 108.909 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.36 117.25 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.461 -0.774 . . . . 1.1499999999999999 109.365 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -75.11 151.53 38.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.641 -0.662 . . . . 2.79 109.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.91 142.83 4.02 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.49 -1.044 . . . . 0.45000000000000001 110.49 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.35 -48.95 11.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -1.052 . . . . 3.1600000000000001 109.03 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.37 -37.86 73.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.853 . . . . 2.2200000000000002 108.749 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.562 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.15 -43.87 87.57 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.377 -0.827 . . . . 3.54 109.03 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.03 -57.39 12.33 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.642 -0.661 . . . . 0.5 109.792 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.58 -39.75 58.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.327 -0.858 . . . . 1.6599999999999999 109.928 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.51 -52.54 60.79 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.146 -0.971 . . . . 1.1499999999999999 110.184 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.95 -46.07 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.14 -0.975 . . . . 0.34000000000000002 109.13 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.81 -41.43 57.36 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.195 -0.941 . . . . 2.9399999999999999 109.414 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.96 -54.04 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 1.74 109.753 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -38.68 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 108.663 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.24 -55.62 32.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.7 . . . . 1.22 109.474 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.7 -33.67 75.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 1.72 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.55 69.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.381 -0.824 . . . . 1.0700000000000001 109.541 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.87 -45.65 92.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.13 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.52 -35.99 73.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 1.9099999999999999 109.175 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.85 75.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 109.198 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.8 -44.4 96.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.37 -0.831 . . . . 2.1400000000000001 108.769 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.78 -32.89 66.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.614 -0.679 . . . . 1.4299999999999999 109.573 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.24 79.25 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 1.3 109.639 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -80.66 1.58 29.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 1.4199999999999999 109.695 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -61.87 1.61 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 1.5800000000000001 109.191 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.62 0.76 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.378 -1.489 . . . . 1.54 109.378 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -86.68 -90.49 0.11 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.257 -1.143 . . . . 4.5499999999999998 109.246 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -49.12 148.98 3.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 5.71 109.226 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.47 -166.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.079 1.186 . . . . 6.0899999999999999 110.072 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 118.001 -1.444 . . . . 7.2400000000000002 109.501 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' B' ' 320' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.436 -0.579 . . . . 7.6699999999999999 109.436 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 319' ' ' LYS . 6.2 ptmm? 35.45 69.93 0.16 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.235 0.541 . . . . 7.46 111.021 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' B' ' 323' ' ' LEU . 37.9 mtmt 53.48 77.22 0.46 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 6.79 109.564 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.72 5.35 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.885 0 C-N-CA 121.322 1.348 . . . . 5.1500000000000004 110.202 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' B' ' 321' ' ' LYS . 41.1 mt -80.53 113.26 18.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.058 -1.026 . . . . 4.6600000000000001 109.012 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.81 -122.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 2.4700000000000002 109.875 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.58 158.54 51.18 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.804 -1.318 . . . . 1.0600000000000001 109.804 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.1 135.2 57.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.342 -1.093 . . . . 1.6100000000000001 109.453 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -94.89 152.83 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.96999999999999997 109.709 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.0 -166.8 1.75 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.589 -0.694 . . . . 0.59999999999999998 109.24 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.92 145.59 24.99 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.192 -0.942 . . . . 1.1000000000000001 108.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.42 137.46 33.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.402 -0.811 . . . . 1.1000000000000001 109.846 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.0 133.54 33.91 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.912 -0.773 . . . . 1.3600000000000001 108.912 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.42 117.24 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.433 -0.792 . . . . 1.1699999999999999 109.371 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.55 38.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.636 -0.665 . . . . 2.79 109.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.86 4.0 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.458 -1.057 . . . . 0.47999999999999998 110.458 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.31 -48.94 11.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -1.046 . . . . 3.2200000000000002 109.096 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.4 -37.87 73.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.885 . . . . 2.21 108.763 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.561 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.08 -43.9 87.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.336 -0.852 . . . . 3.5499999999999998 109.097 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.17 -57.31 12.72 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.748 -0.595 . . . . 0.52000000000000002 109.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.44 -39.88 58.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 1.6799999999999999 109.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.48 -52.48 61.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.132 -0.98 . . . . 1.1499999999999999 110.217 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.94 -46.19 90.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.095 -1.003 . . . . 0.33000000000000002 109.093 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.72 -41.43 56.24 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.211 -0.931 . . . . 3.02 109.496 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.97 -54.03 50.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.237 -0.914 . . . . 1.75 109.779 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.93 -38.85 83.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.163 -0.961 . . . . 1.0700000000000001 108.642 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.22 -55.59 32.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.562 -0.711 . . . . 1.21 109.443 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.61 -33.78 75.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.433 -0.792 . . . . 1.6899999999999999 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.58 69.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.313 -0.867 . . . . 1.0600000000000001 109.592 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.79 -45.7 92.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 109.117 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.47 -36.0 73.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.365 -0.834 . . . . 1.9299999999999999 109.193 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.89 75.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.397 -0.814 . . . . 1.1399999999999999 109.162 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.393 -0.817 . . . . 2.1899999999999999 108.837 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.67 -32.93 65.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.63 -0.668 . . . . 1.4299999999999999 109.554 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.23 79.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 1.3100000000000001 109.594 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.71 1.61 29.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 1.3999999999999999 109.645 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.77 -61.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 1.5700000000000001 109.272 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.24 79.58 0.76 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 1.53 109.458 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -86.62 -90.51 0.11 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -1.14 . . . . 4.5800000000000001 109.252 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -49.06 149.01 3.63 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.938 . . . . 5.6799999999999997 109.177 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.54 -166.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 121.013 1.142 . . . . 6.0499999999999998 110.156 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.48 -1.448 . . . . 7.2000000000000002 109.48 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' C' ' 320' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.386 -0.598 . . . . 9.2200000000000006 109.386 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' C' ' 319' ' ' LYS . 6.2 ptmm? 35.44 69.93 0.16 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.184 0.516 . . . . 8.5099999999999998 111.032 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' C' ' 323' ' ' LEU . 37.9 mtmt 53.5 77.13 0.46 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 7.4199999999999999 109.616 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.61 5.18 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.36 1.373 . . . . 5.0499999999999998 110.252 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' C' ' 321' ' ' LYS . 41.3 mt -80.45 113.38 18.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.97 -1.082 . . . . 5.1399999999999997 109.011 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.87 -122.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.923 . . . . 2.8500000000000001 109.837 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 158.48 51.64 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.814 -1.315 . . . . 1.27 109.814 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.95 135.24 57.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.387 -1.067 . . . . 2.1099999999999999 109.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.86 152.84 18.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.28 -0.888 . . . . 1.01 109.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.08 -166.78 1.75 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.589 -0.694 . . . . 0.57999999999999996 109.156 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -151.96 145.58 24.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.205 -0.934 . . . . 1.1599999999999999 108.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -140.4 137.58 34.12 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.442 -0.786 . . . . 1.1699999999999999 109.857 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.11 133.5 33.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.814 -0.81 . . . . 1.8100000000000001 108.814 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -123.42 117.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 121.492 -0.755 . . . . 1.1299999999999999 109.396 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -75.18 151.57 38.49 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.396 0.617 . . . . 2.8199999999999998 109.802 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.92 142.83 4.03 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.466 -1.053 . . . . 0.45000000000000001 110.466 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -81.2 -49.06 11.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.465 -1.02 . . . . 3.0800000000000001 109.087 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.38 -37.85 73.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.24 -0.913 . . . . 2.54 108.752 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.563 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.14 -43.83 87.53 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.394 -0.816 . . . . 4.1100000000000003 109.076 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.2 -57.27 12.9 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.749 -0.594 . . . . 0.56999999999999995 109.801 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -51.52 -39.84 58.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.942 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.56 -52.45 61.0 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.215 -0.928 . . . . 1.29 110.234 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.0 -46.05 90.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.067 -1.021 . . . . 0.40000000000000002 109.117 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.79 -41.41 57.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.174 -0.953 . . . . 3.8500000000000001 109.416 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.03 -53.96 51.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 1.78 109.777 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.07 -38.7 83.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 1.1699999999999999 108.613 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.3 -55.61 32.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.51 -0.744 . . . . 1.2 109.447 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.51 -33.88 75.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 2.1200000000000001 109.361 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.84 -51.54 69.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 109.504 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.89 -45.62 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.061 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.59 -35.92 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 2.0899999999999999 109.174 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 21.3 tp -63.61 -48.9 75.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 1.3799999999999999 109.228 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.405 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 14.9 ttmm -62.79 -44.4 96.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.35 -0.844 . . . . 2.6800000000000002 108.812 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.77 -32.87 66.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.69 -0.631 . . . . 1.3400000000000001 109.537 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.17 79.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 1.3 109.672 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -80.75 1.67 29.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -0.901 . . . . 1.8 109.649 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.87 1.61 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.18 -0.95 . . . . 1.47 109.22 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.18 79.58 0.76 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.391 -1.483 . . . . 1.6599999999999999 109.391 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -86.61 -90.52 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -1.152 . . . . 4.7800000000000002 109.254 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -49.16 148.95 3.84 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 109.193 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -55.45 -166.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.063 1.176 . . . . 6.1799999999999997 110.072 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.403 -1.479 . . . . 6.9000000000000004 109.403 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' D' ' 320' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.45 -0.574 . . . . 7.6900000000000004 109.45 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' D' ' 319' ' ' LYS . 6.2 ptmm? 35.49 69.88 0.16 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-O 121.209 0.528 . . . . 7.4500000000000002 110.981 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' D' ' 323' ' ' LEU . 37.9 mtmt 53.57 77.13 0.46 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 6.8399999999999999 109.56 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.69 5.27 0.28 Allowed 'Trans proline' 0 C--N 1.32 -0.956 0 C-N-CA 121.305 1.337 . . . . 5.1200000000000001 110.234 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' D' ' 321' ' ' LYS . 41.3 mt -80.45 113.38 18.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.042 -1.036 . . . . 4.6600000000000001 109.003 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.89 -122.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 2.46 109.794 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.85 158.56 51.55 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.831 -1.308 . . . . 1.0800000000000001 109.831 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.03 135.21 57.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.38 -1.07 . . . . 1.6699999999999999 109.451 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -95.0 152.71 18.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.233 -0.917 . . . . 1.01 109.653 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -130.9 -166.73 1.73 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.701 . . . . 0.63 109.276 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.95 145.67 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.144 -0.973 . . . . 1.1299999999999999 108.837 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.5 tp -140.47 137.47 33.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.395 -0.816 . . . . 1.1000000000000001 109.855 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.05 133.51 33.89 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.36 117.18 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.485 -0.759 . . . . 1.1499999999999999 109.419 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.6 38.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.666 -0.646 . . . . 2.77 109.842 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.79 3.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.536 -1.026 . . . . 0.42999999999999999 110.536 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.21 -48.99 11.33 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -1.051 . . . . 3.1200000000000001 109.124 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.34 -37.88 73.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -0.888 . . . . 2.2200000000000002 108.751 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.564 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.24 -43.78 87.94 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.31 -0.869 . . . . 3.5 109.048 179.525 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.16 -57.36 12.53 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.347 0.594 . . . . 0.5 109.769 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.49 -39.83 58.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.301 -0.874 . . . . 1.6899999999999999 109.97 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.47 -52.54 60.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.16 -0.962 . . . . 1.1399999999999999 110.222 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.91 -46.21 90.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.022 -1.048 . . . . 0.32000000000000001 109.095 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -50.71 -41.45 56.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.201 -0.937 . . . . 2.96 109.444 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.98 -54.04 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 1.75 109.73 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.99 -38.73 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 1.0800000000000001 108.61 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.26 -55.66 32.01 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.527 -0.733 . . . . 1.22 109.393 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.405 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 45.0 tt0 -62.69 -33.65 75.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 1.73 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.86 -51.55 69.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.349 -0.844 . . . . 1.0700000000000001 109.593 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.92 -45.65 92.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 1.1100000000000001 109.061 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.47 -35.96 72.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.297 -0.877 . . . . 1.9099999999999999 109.219 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.63 -48.85 75.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.41 -0.806 . . . . 1.1699999999999999 109.222 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.413 -0.804 . . . . 2.1499999999999999 108.839 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.68 -32.96 65.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.713 -0.617 . . . . 1.4399999999999999 109.531 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.18 79.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 1.3 109.629 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -80.74 1.63 29.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 1.3999999999999999 109.632 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.83 -61.9 1.6 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.166 -0.959 . . . . 1.6000000000000001 109.191 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.08 79.54 0.74 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.453 -1.459 . . . . 1.5 109.453 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -86.65 -90.45 0.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.281 -1.129 . . . . 4.5499999999999998 109.341 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -49.14 148.94 3.82 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 5.6699999999999999 109.203 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -55.51 -166.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 120.975 1.117 . . . . 6.1200000000000001 110.118 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.429 -1.468 . . . . 7.2699999999999996 109.429 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.464 -0.569 . . . . 7.6600000000000001 109.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 57.45 68.38 0.86 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 7.5099999999999998 109.705 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' A' ' 323' ' ' LEU . 59.8 mttp 52.76 71.85 1.33 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 6.8099999999999996 109.795 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.24 24.67 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 121.69 1.594 . . . . 5.1500000000000004 110.332 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.7 mt -80.46 109.74 15.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.976 -1.077 . . . . 4.7000000000000002 109.237 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.56 108.51 15.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.25 -0.907 . . . . 2.48 109.89 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.69 155.06 52.76 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.452 . . . . 1.0800000000000001 109.469 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.82 124.54 20.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.17 -1.194 . . . . 1.7 109.654 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 65.7 m-85 -98.26 153.32 18.58 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.207 -0.933 . . . . 1.04 109.949 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -141.2 139.0 33.75 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.705 -0.85 . . . . 0.65000000000000002 108.705 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -98.98 161.58 13.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.438 -0.789 . . . . 1.1399999999999999 109.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.09 132.76 17.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.063 -1.023 . . . . 1.0900000000000001 110.157 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.67 127.16 34.42 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.722 -0.844 . . . . 1.3700000000000001 108.722 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.65 109.29 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.474 -0.766 . . . . 1.1499999999999999 109.391 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.53 152.2 39.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.397 -0.814 . . . . 2.79 109.518 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.8 130.2 4.9 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.954 -1.258 . . . . 0.45000000000000001 109.954 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.491 ' NH1' ' OE2' ' A' ' 339' ' ' GLU . 1.3 tmt_? -73.7 -48.69 30.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.43 -1.041 . . . . 3.1600000000000001 109.458 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 2.2200000000000002 109.21 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.528 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -55.59 -42.57 74.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.364 -0.835 . . . . 3.54 109.922 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -54.53 -57.95 9.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.569 -0.707 . . . . 0.5 110.128 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.491 ' OE2' ' NH1' ' A' ' 335' ' ' ARG . 44.7 mt-10 -50.44 -41.37 52.57 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 110.093 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.22 48.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.737 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.01 -47.91 82.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.952 -1.093 . . . . 0.34000000000000002 109.12 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.61 -43.33 62.49 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.215 -0.928 . . . . 2.9399999999999999 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.66 -43.95 97.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.121 -0.987 . . . . 1.74 109.963 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.29 -43.94 98.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 109.443 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -58.78 -49.36 77.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.198 -0.939 . . . . 1.22 109.673 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.73 98.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.875 . . . . 1.72 110.1 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.26 24.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 1.0700000000000001 109.986 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.09 -42.18 98.03 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 1.0800000000000001 109.531 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.51 -34.17 73.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.482 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.27 -50.26 68.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 109.395 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -63.0 -45.96 89.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.342 -0.849 . . . . 2.1400000000000001 108.971 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -57.62 -38.11 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.631 -0.668 . . . . 1.4299999999999999 109.755 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.65 71.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 1.3 109.922 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.22 -1.16 43.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.37 -0.831 . . . . 1.4199999999999999 109.8 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -2.93 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 1.5800000000000001 109.641 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.1 -0.15 89.53 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.651 -1.38 . . . . 1.54 109.651 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.46 6.81 25.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.226 -1.161 . . . . 4.5499999999999998 109.688 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' A' ' 360' ' ' GLY . 14.3 pt-20 -51.35 151.17 5.49 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 5.71 108.954 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.65 3.12 0.16 Allowed 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 121.008 1.139 . . . . 6.0899999999999999 110.322 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.559 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 117.921 -1.488 . . . . 7.2400000000000002 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.307 0.575 . . . . 7.6699999999999999 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.53 68.36 0.86 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 7.46 109.672 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 323' ' ' LEU . 59.8 mttp 52.78 71.77 1.35 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 6.79 109.763 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.12 24.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.148 0 C-N-CA 121.69 1.593 . . . . 5.1500000000000004 110.361 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.7 mt -80.44 109.79 15.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.955 -1.09 . . . . 4.6600000000000001 109.291 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.53 109.04 15.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 2.4700000000000002 109.825 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.58 154.96 51.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.376 -1.49 . . . . 1.0600000000000001 109.376 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.55 124.54 20.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -1.212 . . . . 1.6100000000000001 109.676 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 66.5 m-85 -98.33 153.34 18.61 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.179 -0.951 . . . . 0.96999999999999997 109.919 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -141.17 139.05 33.81 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.756 -0.831 . . . . 0.59999999999999998 108.756 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -99.1 161.51 13.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.808 . . . . 1.1000000000000001 109.046 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.7 tp -148.0 132.85 18.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 1.1000000000000001 110.106 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.76 127.12 34.46 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.644 -0.873 . . . . 1.3600000000000001 108.644 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.7 109.48 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.507 -0.746 . . . . 1.1699999999999999 109.363 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.59 152.17 39.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.389 -0.819 . . . . 2.79 109.536 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.76 130.35 4.93 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.928 -1.269 . . . . 0.47999999999999998 109.928 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' B' ' 339' ' ' GLU . 1.3 tmt_? -73.82 -48.66 29.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 3.2200000000000002 109.418 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.29 -41.65 80.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 2.21 109.203 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.539 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -55.51 -42.7 74.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.477 -0.764 . . . . 3.5499999999999998 109.832 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.51 -57.89 9.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.525 -0.734 . . . . 0.52000000000000002 110.096 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' B' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.32 53.49 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.293 -0.879 . . . . 1.6799999999999999 110.01 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.17 -53.26 47.65 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.163 -0.96 . . . . 1.1499999999999999 110.7 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.97 -47.89 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.056 -1.028 . . . . 0.33000000000000002 109.108 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.68 -43.27 62.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.271 -0.893 . . . . 3.02 109.5 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.79 -43.85 97.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 1.75 109.903 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.36 -43.8 98.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.483 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.96 -49.25 78.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.297 -0.877 . . . . 1.21 109.579 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.21 -40.88 98.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 110.049 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.75 -56.23 24.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 1.0600000000000001 110.016 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.13 -42.21 98.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.286 -0.884 . . . . 1.0800000000000001 109.48 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.43 -34.24 73.68 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.23 -0.919 . . . . 1.9299999999999999 109.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.26 -50.22 68.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.907 . . . . 1.1399999999999999 109.408 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.0 -45.94 90.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.289 -0.882 . . . . 2.1899999999999999 108.987 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -57.6 -38.11 74.35 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.751 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.54 71.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.3100000000000001 109.9 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.33 -1.16 44.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 1.3999999999999999 109.74 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -2.98 15.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 1.5700000000000001 109.593 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.03 -0.18 89.58 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.636 -1.386 . . . . 1.53 109.636 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.43 6.81 25.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.222 -1.164 . . . . 4.5800000000000001 109.724 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 360' ' ' GLY . 14.3 pt-20 -51.3 151.21 5.36 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 5.6799999999999997 108.956 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.63 2.98 0.16 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.046 1.164 . . . . 6.0499999999999998 110.266 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.94 -1.478 . . . . 7.2000000000000002 109.523 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.455 -0.572 . . . . 9.2200000000000006 109.455 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.38 68.36 0.86 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.304 -0.872 . . . . 8.5099999999999998 109.79 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.568 ' C ' ' H ' ' C' ' 323' ' ' LEU . 59.8 mttp 52.76 71.9 1.32 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 7.4199999999999999 109.766 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.27 24.67 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 C-N-CA 121.725 1.616 . . . . 5.0499999999999998 110.264 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.568 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.7 mt -80.4 109.69 15.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 5.1399999999999997 109.31 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.56 108.81 15.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.186 -0.946 . . . . 2.8500000000000001 109.925 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.1 155.08 52.51 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.441 -1.464 . . . . 1.27 109.441 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.77 124.61 20.93 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -1.199 . . . . 2.1099999999999999 109.634 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 66.3 m-85 -98.28 153.24 18.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.176 -0.953 . . . . 1.01 109.928 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -141.14 139.15 33.88 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.725 -0.843 . . . . 0.57999999999999996 108.725 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -99.03 161.66 13.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.46 -0.775 . . . . 1.1599999999999999 108.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.08 132.82 17.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.114 -0.991 . . . . 1.1699999999999999 110.113 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.66 127.11 34.4 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.732 -0.84 . . . . 1.8100000000000001 108.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.64 109.42 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.456 -0.778 . . . . 1.1299999999999999 109.352 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 2.8199999999999998 109.531 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.71 130.32 4.91 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.951 -1.26 . . . . 0.45000000000000001 109.951 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' C' ' 339' ' ' GLU . 1.3 tmt_? -73.85 -48.67 29.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -1.092 . . . . 3.0800000000000001 109.434 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.28 -41.54 79.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 2.54 109.202 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.533 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -55.68 -42.59 75.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.389 -0.82 . . . . 4.1100000000000003 109.897 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -54.54 -57.85 9.76 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.469 -0.769 . . . . 0.56999999999999995 110.162 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' C' ' 335' ' ' ARG . 44.7 mt-10 -50.49 -41.41 53.23 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.292 -0.88 . . . . 1.6599999999999999 110.043 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.3 47.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.174 -0.954 . . . . 1.29 110.677 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.91 -47.92 82.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.98 -1.075 . . . . 0.40000000000000002 109.098 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.69 -43.23 62.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.885 . . . . 3.8500000000000001 109.572 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.8 -43.78 97.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 1.78 109.959 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.42 -43.8 98.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.1699999999999999 109.486 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.87 -49.35 78.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.265 -0.897 . . . . 1.2 109.585 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.22 -40.77 98.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.885 . . . . 2.1200000000000001 110.048 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.14 25.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 110.029 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 1.1399999999999999 109.524 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.6 -34.1 73.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.171 -0.955 . . . . 2.0899999999999999 109.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.3 -50.32 68.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 1.3799999999999999 109.351 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.92 -46.02 89.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.33 -0.856 . . . . 2.6800000000000002 109.025 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -57.54 -38.03 74.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.838 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.63 71.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.3 109.866 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' D' ' 354' ' ' GLN . 22.3 mt-30 -81.22 -1.16 43.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.252 -0.905 . . . . 1.8 109.84 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.94 15.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 1.47 109.661 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.1 -0.11 89.52 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.656 -1.378 . . . . 1.6599999999999999 109.656 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.5 6.79 25.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.168 -1.196 . . . . 4.7800000000000002 109.66 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.536 ' C ' ' H ' ' C' ' 360' ' ' GLY . 14.4 pt-20 -51.32 151.24 5.38 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.96 . . . . 6.1900000000000004 108.961 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.62 2.96 0.16 Allowed 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.075 1.183 . . . . 6.1799999999999997 110.258 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.953 -1.471 . . . . 6.9000000000000004 109.536 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.478 -0.564 . . . . 7.6900000000000004 109.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.48 68.41 0.85 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.338 -0.852 . . . . 7.4500000000000002 109.671 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.558 ' C ' ' H ' ' D' ' 323' ' ' LEU . 59.8 mttp 52.74 71.8 1.35 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 6.8399999999999999 109.794 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.2 24.64 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 121.647 1.565 . . . . 5.1200000000000001 110.346 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.558 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.7 mt -80.38 109.67 15.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.973 -1.079 . . . . 4.6600000000000001 109.386 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.46 108.81 15.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 2.46 109.879 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.19 155.12 52.43 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.391 -1.484 . . . . 1.0800000000000001 109.391 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.83 124.56 20.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.126 -1.22 . . . . 1.6699999999999999 109.627 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 65.9 m-85 -98.28 153.26 18.64 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.236 -0.915 . . . . 1.01 109.95 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.1 139.17 33.95 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.666 -0.864 . . . . 0.63 108.666 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -99.09 161.59 13.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.387 -0.821 . . . . 1.1299999999999999 108.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -148.04 132.84 17.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 110.159 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.75 127.15 34.46 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.672 -0.862 . . . . 1.3700000000000001 108.672 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.55 109.43 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.432 -0.792 . . . . 1.1499999999999999 109.367 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -74.6 152.12 39.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.8 . . . . 2.77 109.539 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.85 130.3 4.95 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.889 -1.284 . . . . 0.42999999999999999 109.889 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' D' ' 339' ' ' GLU . 1.3 tmt_? -73.89 -48.66 29.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -1.066 . . . . 3.1200000000000001 109.424 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.127 -0.983 . . . . 2.2200000000000002 109.212 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.525 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -55.58 -42.62 75.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.497 -0.752 . . . . 3.5 109.916 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -54.49 -57.91 9.53 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.543 -0.723 . . . . 0.5 110.113 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' D' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.36 53.55 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.36 -0.837 . . . . 1.6899999999999999 110.005 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.11 -53.16 49.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.069 -1.019 . . . . 1.1399999999999999 110.783 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.09 -47.77 83.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.051 -1.031 . . . . 0.32000000000000001 109.069 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.76 -43.31 62.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.363 -0.835 . . . . 2.96 109.511 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.62 -44.03 96.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 1.75 109.973 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.511 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.85 -49.42 77.8 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.22 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.72 98.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.873 . . . . 1.73 110.118 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.91 -56.18 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 109.962 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 1.1100000000000001 109.49 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.33 -34.3 73.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 1.9099999999999999 109.498 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.19 -50.27 68.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 1.1699999999999999 109.389 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.02 -45.91 90.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.374 -0.829 . . . . 2.1499999999999999 109.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -57.62 -38.0 74.23 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.636 -0.665 . . . . 1.4399999999999999 109.852 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.58 71.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 1.3 109.86 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' C' ' 354' ' ' GLN . 22.4 mt-30 -81.27 -1.2 44.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.3999999999999999 109.806 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.86 15.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 1.6000000000000001 109.626 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.08 -0.16 89.55 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.657 -1.377 . . . . 1.5 109.657 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -85.45 6.71 25.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -1.208 . . . . 4.5499999999999998 109.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' D' ' 360' ' ' GLY . 14.4 pt-20 -51.33 151.16 5.45 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 5.6699999999999999 108.935 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.59 3.04 0.16 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.101 1.201 . . . . 6.1200000000000001 110.256 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.892 -1.504 . . . . 7.2699999999999996 109.522 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.453 -0.573 . . . . 7.6600000000000001 109.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 321' ' ' LYS . 41.0 tttp 70.05 -66.04 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.71 -0.619 . . . . 7.5099999999999998 109.995 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 320' ' ' LYS . 4.7 mtpm? 60.77 146.59 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.847 0 N-CA-C 109.207 -0.664 . . . . 6.8099999999999996 109.207 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.05 -85.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 121.103 1.202 . . . . 5.1500000000000004 110.551 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.38 113.93 19.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.175 -0.953 . . . . 4.7000000000000002 110.291 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.2 -152.98 0.11 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.896 . . . . 2.48 109.246 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.16 156.65 53.43 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.794 -1.322 . . . . 1.0800000000000001 109.794 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.04 133.06 55.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.217 -1.166 . . . . 1.7 109.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -97.12 158.75 15.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.332 -0.855 . . . . 1.04 109.574 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.07 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.384 -0.823 . . . . 0.65000000000000002 109.112 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.68 150.07 29.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.14 -0.975 . . . . 1.1399999999999999 109.371 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -142.18 133.47 26.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 1.0900000000000001 109.634 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.15 131.83 34.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.974 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.54 114.48 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.477 -0.764 . . . . 1.1499999999999999 109.098 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.588 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.88 150.53 39.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.056 -0.72 . . . . 2.79 109.056 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 88.55 126.74 2.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.28 -1.128 . . . . 0.45000000000000001 110.28 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.509 ' CG ' HH11 ' A' ' 335' ' ' ARG . 1.2 ttt-85 -71.89 -52.21 18.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 3.1600000000000001 109.132 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.47 -37.07 72.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.366 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.27 -41.21 97.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.311 -0.868 . . . . 3.54 109.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.25 -50.64 70.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.5 109.673 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -52.12 -40.04 60.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 1.6599999999999999 109.985 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.39 -52.49 64.39 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.205 -0.935 . . . . 1.1499999999999999 110.191 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.63 -44.69 96.06 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.34000000000000002 108.931 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.6 -40.32 59.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.258 -0.901 . . . . 2.9399999999999999 109.299 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.14 -53.46 57.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.74 109.656 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.75 -38.05 80.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.93 . . . . 1.0700000000000001 108.542 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.09 -54.59 45.28 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.427 -0.796 . . . . 1.22 109.298 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.417 -0.802 . . . . 1.72 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.57 -55.01 38.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.621 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.9 -44.19 97.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.421 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.58 -36.04 77.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.481 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.92 -48.44 76.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 1.1499999999999999 109.529 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.83 -43.53 98.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 2.1400000000000001 109.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.8 -35.16 68.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.56 -0.713 . . . . 1.4299999999999999 109.529 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.93 80.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 1.3 109.932 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.572 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 71.3 mt-30 -81.3 -3.04 51.32 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.185 -0.947 . . . . 1.4199999999999999 109.731 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -0.12 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 1.5800000000000001 109.427 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.77 -1.02 90.55 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.921 -1.272 . . . . 1.54 109.921 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.54 4.74 34.58 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.092 -1.24 . . . . 4.5499999999999998 109.151 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.79 110.32 1.34 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.162 -0.961 . . . . 5.71 109.257 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -60.11 139.68 88.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 120.567 0.845 . . . . 6.0899999999999999 109.957 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 117.974 -1.459 . . . . 7.2400000000000002 109.613 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.494 -0.558 . . . . 7.6699999999999999 109.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 321' ' ' LYS . 41.0 tttp 70.1 -66.12 0.29 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.688 -0.632 . . . . 7.46 110.016 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 320' ' ' LYS . 4.8 mtpm? 60.83 146.63 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.827 0 N-CA-C 109.156 -0.683 . . . . 6.79 109.156 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.13 -85.69 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 121.061 1.174 . . . . 5.1500000000000004 110.522 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -81.36 114.01 19.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.978 . . . . 4.6600000000000001 110.256 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.26 -152.79 0.11 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.282 -0.886 . . . . 2.4700000000000002 109.217 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.49 156.72 53.41 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.787 -1.325 . . . . 1.0600000000000001 109.787 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.13 133.13 55.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.292 -1.123 . . . . 1.6100000000000001 109.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -97.15 158.62 15.35 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.326 -0.858 . . . . 0.96999999999999997 109.617 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.99 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.344 -0.847 . . . . 0.59999999999999998 109.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -151.64 150.08 29.86 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.015 -1.053 . . . . 1.1000000000000001 109.359 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -142.17 133.53 26.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.394 -0.816 . . . . 1.1000000000000001 109.594 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.24 131.78 34.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.459 -0.775 . . . . 1.3600000000000001 108.983 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.44 114.48 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.467 -0.771 . . . . 1.1699999999999999 109.131 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.575 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.54 39.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.499 -0.751 . . . . 2.79 109.13 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 88.54 126.85 2.71 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.232 -1.147 . . . . 0.47999999999999998 110.232 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.2 ttt-85 -72.08 -52.12 18.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.463 -1.022 . . . . 3.2200000000000002 109.173 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.41 -37.15 72.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 2.21 109.402 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.27 -41.19 97.03 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.334 -0.854 . . . . 3.5499999999999998 109.179 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.26 -50.54 71.07 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.506 -0.746 . . . . 0.52000000000000002 109.772 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.404 -0.81 . . . . 1.6799999999999999 110.017 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.44 -52.55 64.08 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 1.1499999999999999 110.084 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.62 -44.76 95.96 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 108.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.47 -40.54 59.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.285 -0.884 . . . . 3.02 109.25 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -60.04 -53.47 57.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.75 109.676 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.77 -37.93 80.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 108.651 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.23 -54.55 45.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.78 . . . . 1.21 109.288 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.463 -0.773 . . . . 1.6899999999999999 109.486 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.98 38.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 1.0600000000000001 109.597 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.9 -44.38 97.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.336 -0.853 . . . . 1.0800000000000001 109.419 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.42 -36.09 77.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.89 . . . . 1.9299999999999999 109.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.9 -48.42 76.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.923 . . . . 1.1399999999999999 109.548 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.79 -43.56 98.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.844 . . . . 2.1899999999999999 109.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.71 -35.3 68.36 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.508 -0.745 . . . . 1.4299999999999999 109.562 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.0 80.83 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 1.3100000000000001 109.903 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.572 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 71.2 mt-30 -81.28 -3.13 51.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.162 -0.961 . . . . 1.3999999999999999 109.732 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.78 -0.14 6.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 1.5700000000000001 109.442 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.71 -1.18 90.53 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.906 -1.278 . . . . 1.53 109.906 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.49 4.76 34.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -1.215 . . . . 4.5800000000000001 109.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.86 110.4 1.37 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 5.6799999999999997 109.256 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -60.15 139.73 88.81 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 N-CA-C 109.992 -0.811 . . . . 6.0499999999999998 109.992 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.574 -1.41 . . . . 7.2000000000000002 109.574 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.506 -0.553 . . . . 9.2200000000000006 109.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 321' ' ' LYS . 41.0 tttp 70.11 -66.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.689 -0.632 . . . . 8.5099999999999998 109.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 320' ' ' LYS . 4.8 mtpm? 60.84 146.56 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.81 0 N-CA-C 109.153 -0.684 . . . . 7.4199999999999999 109.153 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.97 -85.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 121.137 1.225 . . . . 5.0499999999999998 110.575 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -81.25 113.92 19.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.255 -0.903 . . . . 5.1399999999999997 110.314 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.32 -152.89 0.11 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 2.8500000000000001 109.227 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.29 156.65 53.41 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.775 -1.33 . . . . 1.27 109.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.04 133.08 55.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.277 -1.131 . . . . 2.1099999999999999 109.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -97.14 158.77 15.28 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.204 -0.935 . . . . 1.01 109.521 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.08 -171.14 2.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.371 -0.831 . . . . 0.57999999999999996 109.131 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.65 150.12 29.9 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.159 -0.963 . . . . 1.1599999999999999 109.354 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -142.25 133.48 26.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.395 -0.816 . . . . 1.1699999999999999 109.628 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.14 131.83 34.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.397 -0.814 . . . . 1.8100000000000001 109.041 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.47 114.38 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 109.111 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.83 150.61 39.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.504 -0.747 . . . . 2.8199999999999998 109.107 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 88.47 126.8 2.68 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.257 -1.137 . . . . 0.45000000000000001 110.257 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.511 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.2 ttt-85 -71.98 -52.14 18.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -1.026 . . . . 3.0800000000000001 109.23 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.45 -37.1 72.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 2.54 109.36 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.34 -41.1 96.95 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.296 -0.877 . . . . 4.1100000000000003 109.144 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.41 -50.51 71.39 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.482 -0.761 . . . . 0.56999999999999995 109.713 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.97 60.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 1.6599999999999999 110.037 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.42 -52.43 64.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.272 -0.892 . . . . 1.29 110.142 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.086 -1.009 . . . . 0.40000000000000002 108.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -51.47 -40.54 59.69 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.276 -0.89 . . . . 3.8500000000000001 109.283 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.99 -53.51 57.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 1.78 109.642 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.8 -37.95 80.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.245 -0.91 . . . . 1.1699999999999999 108.607 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.11 -54.58 45.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.435 -0.791 . . . . 1.2 109.386 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.54 -33.36 74.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.444 -0.785 . . . . 2.1200000000000001 109.566 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.9 39.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.878 . . . . 1.0700000000000001 109.677 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.95 -44.38 97.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 1.1399999999999999 109.413 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.35 -36.08 77.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.95 -48.38 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 1.3799999999999999 109.562 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.86 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.361 -0.837 . . . . 2.6800000000000002 109.013 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.74 -35.17 68.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.557 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.0 80.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 1.3 109.936 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.551 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 71.2 mt-30 -81.31 -3.09 51.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.149 -0.97 . . . . 1.8 109.712 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.86 -0.11 6.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 1.47 109.389 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.78 -1.1 90.55 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.908 -1.277 . . . . 1.6599999999999999 109.908 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -85.41 4.62 34.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.239 . . . . 4.7800000000000002 109.168 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -47.82 110.43 1.38 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 6.1900000000000004 109.226 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -60.15 139.65 88.37 Favored 'Trans proline' 0 C--O 1.216 -0.619 0 C-N-CA 120.533 0.822 . . . . 6.1799999999999997 109.987 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.991 -1.449 . . . . 6.9000000000000004 109.595 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.464 -0.569 . . . . 7.6900000000000004 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 321' ' ' LYS . 41.0 tttp 70.16 -66.23 0.28 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.713 -0.617 . . . . 7.4500000000000002 109.97 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 320' ' ' LYS . 4.8 mtpm? 60.91 146.6 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.845 0 N-CA-C 109.16 -0.682 . . . . 6.8399999999999999 109.16 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.06 -85.72 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 121.067 1.178 . . . . 5.1200000000000001 110.566 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -81.25 113.91 19.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.95 . . . . 4.6600000000000001 110.278 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.29 -152.84 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.295 -0.878 . . . . 2.46 109.247 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.31 156.55 53.38 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.796 -1.322 . . . . 1.0800000000000001 109.796 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -60.94 133.15 55.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -1.067 . . . . 1.6699999999999999 109.944 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -97.13 158.81 15.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.312 -0.867 . . . . 1.01 109.564 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.18 -171.25 2.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.342 -0.849 . . . . 0.63 109.105 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.61 150.17 29.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.122 -0.986 . . . . 1.1299999999999999 109.333 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -142.21 133.4 26.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.346 -0.846 . . . . 1.1000000000000001 109.691 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -87.07 131.86 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.079 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.54 114.43 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 109.167 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.52 39.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.517 -0.739 . . . . 2.77 109.109 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 88.55 126.71 2.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.24 -1.144 . . . . 0.42999999999999999 110.24 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.516 ' CG ' HH11 ' D' ' 335' ' ' ARG . 1.2 ttt-85 -71.95 -52.12 18.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.438 -1.036 . . . . 3.1200000000000001 109.183 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.48 -37.08 72.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.37 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.35 -41.14 96.9 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.339 -0.851 . . . . 3.5 109.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.33 -50.45 71.43 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.541 -0.724 . . . . 0.5 109.705 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.29 -40.0 61.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.29 -52.56 64.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 110.17 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.67 -44.71 96.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.081 -1.012 . . . . 0.32000000000000001 108.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.48 -40.52 59.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.277 -0.89 . . . . 2.96 109.299 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.97 -53.58 56.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.75 109.667 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.72 -38.03 80.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 1.0800000000000001 108.543 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.06 -54.61 45.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 1.22 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -62.55 -33.52 75.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.382 -0.824 . . . . 1.73 109.458 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.95 39.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.315 -0.866 . . . . 1.0700000000000001 109.608 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.0 -44.15 97.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.1100000000000001 109.472 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.59 -36.08 77.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.45 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.84 -48.35 77.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.328 -0.858 . . . . 1.1699999999999999 109.597 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.86 -43.61 98.33 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -0.844 . . . . 2.1499999999999999 109.069 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.72 -35.22 68.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.612 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.11 81.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -0.88 . . . . 1.3 109.939 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.551 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 71.3 mt-30 -81.24 -3.01 51.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.207 -0.933 . . . . 1.3999999999999999 109.744 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.83 -0.21 6.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -0.948 . . . . 1.6000000000000001 109.422 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.69 -1.14 90.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.903 -1.279 . . . . 1.5 109.903 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.47 4.75 34.25 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.065 -1.256 . . . . 4.5499999999999998 109.158 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.83 110.36 1.36 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 5.6699999999999999 109.272 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -60.19 139.74 88.73 Favored 'Trans proline' 0 C--O 1.215 -0.644 0 N-CA-C 109.92 -0.839 . . . . 6.1200000000000001 109.92 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 7.2699999999999996 109.525 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.363 0.602 . . . . 7.6600000000000001 109.529 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.34 5.55 2.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.318 -0.864 . . . . 7.5099999999999998 109.082 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.501 ' C ' ' H ' ' A' ' 323' ' ' LEU . 41.9 mmtm 54.82 78.35 0.39 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 6.8099999999999996 109.499 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.15 5.3 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 121.343 1.362 . . . . 5.1500000000000004 110.011 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.3 mt -81.35 51.18 1.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 4.7000000000000002 109.322 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.94 -102.92 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.679 -0.638 . . . . 2.48 109.68 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.484 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -68.24 153.54 52.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.537 -1.425 . . . . 1.0800000000000001 109.537 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -59.18 123.13 15.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -1.105 . . . . 1.7 109.632 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.484 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 65.4 m-85 -93.81 154.95 17.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.326 -0.859 . . . . 1.04 109.244 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -136.95 -172.33 3.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.323 -0.861 . . . . 0.65000000000000002 109.445 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -150.43 152.17 33.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.303 -0.999 . . . . 1.1399999999999999 108.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.0 133.88 22.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 1.0900000000000001 109.783 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.13 129.17 34.85 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.612 -0.884 . . . . 1.3700000000000001 108.612 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -123.59 110.61 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.472 -0.767 . . . . 1.1499999999999999 109.278 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.12 147.68 40.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.67 -0.644 . . . . 2.79 109.702 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.38 2.44 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.972 -1.251 . . . . 0.45000000000000001 109.972 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' A' ' 335' ' ' ARG . 9.7 ttm-85 -71.22 -43.08 68.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -1.106 . . . . 3.1600000000000001 109.258 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.347 -0.846 . . . . 2.2200000000000002 109.63 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.59 -39.79 95.29 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.2 -0.938 . . . . 3.54 109.56 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -54.44 -54.4 41.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.393 -0.817 . . . . 0.5 109.769 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.91 -40.62 61.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.687 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.28 -52.96 59.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 110.36 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.34000000000000002 109.15 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.94 -35.78 47.04 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.324 -0.86 . . . . 2.9399999999999999 109.448 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.54 -48.74 79.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.086 -1.009 . . . . 1.74 109.658 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.3 -37.4 80.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 108.664 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.12 -57.35 13.22 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 1.22 109.506 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -63.16 -35.48 80.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.409 -0.807 . . . . 1.72 109.568 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.08 -54.35 48.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 1.0700000000000001 109.966 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.12 -44.28 97.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.134 -0.979 . . . . 1.0800000000000001 109.388 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.55 -35.86 75.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.347 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.02 -48.82 74.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 1.1499999999999999 109.344 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.51 -48.01 79.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.359 -0.838 . . . . 2.1400000000000001 108.985 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.95 -32.07 69.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.669 -0.644 . . . . 1.4299999999999999 109.571 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.26 77.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 1.3 109.979 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.93 -9.45 59.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 1.4199999999999999 109.681 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -3.96 25.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.216 -0.927 . . . . 1.5800000000000001 109.328 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.86 36.64 3.0 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.774 -1.33 . . . . 1.54 109.774 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.15 134.83 34.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.036 -1.273 . . . . 4.5499999999999998 109.289 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -50.96 152.66 3.55 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 5.71 109.41 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.83 166.4 2.96 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 121.219 1.28 . . . . 6.0899999999999999 110.105 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 CA-C-O 117.974 -1.459 . . . . 7.2400000000000002 109.479 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.376 0.608 . . . . 7.6699999999999999 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 5.54 2.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.327 -0.858 . . . . 7.46 109.101 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' B' ' 323' ' ' LEU . 41.7 mmtm 54.83 78.34 0.39 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.234 -0.916 . . . . 6.79 109.531 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.14 5.31 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 121.342 1.361 . . . . 5.1500000000000004 110.01 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.2 mt -81.43 51.32 1.62 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 4.6600000000000001 109.332 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -79.94 -103.16 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.59 -0.694 . . . . 2.4700000000000002 109.69 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.487 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -67.9 153.59 52.93 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.585 -1.406 . . . . 1.0600000000000001 109.585 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -59.33 123.19 15.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -1.095 . . . . 1.6100000000000001 109.583 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.487 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 64.9 m-85 -93.77 154.93 17.5 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.282 -0.886 . . . . 0.96999999999999997 109.267 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -136.88 -172.27 3.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.59999999999999998 109.397 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.0 p -150.37 152.38 34.3 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.247 -1.02 . . . . 1.1000000000000001 108.247 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.12 133.67 22.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 1.1000000000000001 109.82 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.96 129.17 34.84 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.9 mt -123.67 110.64 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.507 -0.746 . . . . 1.1699999999999999 109.248 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.9 ttt-85 -75.13 147.61 40.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.618 -0.676 . . . . 2.79 109.695 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.24 124.45 2.46 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.992 -1.243 . . . . 0.47999999999999998 109.992 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG3' ' B' ' 335' ' ' ARG . 9.6 ttm-85 -71.36 -42.94 67.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -1.14 . . . . 3.2200000000000002 109.276 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.77 -45.78 89.0 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.331 -0.856 . . . . 2.21 109.566 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.55 -39.88 95.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.233 -0.917 . . . . 3.5499999999999998 109.525 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.4 -54.43 40.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.485 -0.76 . . . . 0.52000000000000002 109.75 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.89 -40.65 61.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.6799999999999999 109.734 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.27 -52.92 60.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 110.356 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.51 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.168 -0.957 . . . . 0.33000000000000002 109.135 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.93 -35.78 46.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 3.02 109.448 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.59 -48.84 79.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.75 109.609 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.25 -37.33 80.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 108.697 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.17 -57.34 13.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.506 -0.746 . . . . 1.21 109.478 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.22 -35.45 80.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.47 -0.769 . . . . 1.6899999999999999 109.565 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -54.43 47.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.375 -0.828 . . . . 1.0600000000000001 109.984 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.07 -44.23 97.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.0800000000000001 109.515 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.63 -35.75 74.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.233 -0.917 . . . . 1.9299999999999999 109.328 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.15 -48.88 74.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.271 -0.893 . . . . 1.1399999999999999 109.288 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.41 -47.91 80.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 108.983 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.99 -32.04 69.33 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.592 -0.693 . . . . 1.4299999999999999 109.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.21 77.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.858 . . . . 1.3100000000000001 109.939 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.95 -9.46 59.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.932 . . . . 1.3999999999999999 109.601 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.86 -3.95 25.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.168 -0.957 . . . . 1.5700000000000001 109.369 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.86 36.75 2.99 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.798 -1.321 . . . . 1.53 109.798 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.15 134.88 34.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 4.5800000000000001 109.304 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -51.07 152.6 3.74 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.315 -0.866 . . . . 5.6799999999999997 109.337 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -55.77 166.42 2.88 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 C-N-CA 121.25 1.3 . . . . 6.0499999999999998 110.133 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.487 -1.445 . . . . 7.2000000000000002 109.487 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.382 0.61 . . . . 9.2200000000000006 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 5.7 2.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.312 -0.868 . . . . 8.5099999999999998 109.073 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' C' ' 323' ' ' LEU . 41.7 mmtm 54.83 78.24 0.4 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.237 -0.914 . . . . 7.4199999999999999 109.564 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.14 5.26 0.53 Allowed 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 121.357 1.372 . . . . 5.0499999999999998 110.015 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.2 mt -81.31 51.26 1.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 5.1399999999999997 109.387 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.88 -103.02 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.576 -0.703 . . . . 2.8500000000000001 109.687 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -68.13 153.45 52.92 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 1.27 109.593 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -59.03 123.13 15.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.343 -1.092 . . . . 2.1099999999999999 109.604 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 64.8 m-85 -93.83 154.86 17.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.22 -0.925 . . . . 1.01 109.313 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -136.89 -172.32 3.15 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.57999999999999996 109.392 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -150.48 152.19 33.85 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.294 -1.002 . . . . 1.1599999999999999 108.294 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.3 tp -144.99 133.75 22.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 1.1699999999999999 109.813 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.99 129.2 34.84 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.62 -0.881 . . . . 1.8100000000000001 108.62 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.73 110.61 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-O 121.676 0.75 . . . . 1.1299999999999999 109.231 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -75.12 147.71 40.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.548 -0.72 . . . . 2.8199999999999998 109.745 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 124.38 2.42 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.982 -1.247 . . . . 0.45000000000000001 109.982 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.442 HH11 ' HG3' ' C' ' 335' ' ' ARG . 9.6 ttm-85 -71.27 -42.89 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -1.143 . . . . 3.0800000000000001 109.339 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.78 -45.8 88.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.367 -0.833 . . . . 2.54 109.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -63.61 -39.81 95.3 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.237 -0.915 . . . . 4.1100000000000003 109.47 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.46 -54.42 41.14 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.462 -0.774 . . . . 0.56999999999999995 109.742 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.89 -40.66 61.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 1.6599999999999999 109.723 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.26 -52.95 60.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.302 -0.874 . . . . 1.29 110.352 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.13 -53.78 52.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.005 . . . . 0.40000000000000002 109.117 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -52.05 -35.74 48.24 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.281 -0.887 . . . . 3.8500000000000001 109.391 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.61 -48.73 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.78 109.646 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.36 -37.27 80.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 108.666 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.19 -57.32 13.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.556 -0.715 . . . . 1.2 109.489 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -63.17 -35.48 80.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 2.1200000000000001 109.568 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.45 46.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 109.952 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.03 -44.29 97.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.195 -0.94 . . . . 1.1399999999999999 109.494 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.53 -35.83 74.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.0899999999999999 109.326 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.1 -48.9 74.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 1.3799999999999999 109.321 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.93 79.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 108.975 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.95 -32.05 69.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.678 -0.639 . . . . 1.3400000000000001 109.631 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.2 77.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.316 -0.865 . . . . 1.3 109.997 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -82.0 -9.48 59.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 1.8 109.572 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -4.02 25.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.123 -0.986 . . . . 1.47 109.313 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.91 36.71 3.0 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.733 -1.347 . . . . 1.6599999999999999 109.733 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.14 134.81 34.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.067 -1.254 . . . . 4.7800000000000002 109.328 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -50.97 152.59 3.61 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.317 -0.864 . . . . 6.1900000000000004 109.401 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.81 166.44 2.9 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 121.219 1.279 . . . . 6.1799999999999997 110.147 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.469 -1.452 . . . . 6.9000000000000004 109.469 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.339 0.59 . . . . 7.6900000000000004 109.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 5.58 2.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 7.4500000000000002 109.16 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' D' ' 323' ' ' LEU . 41.7 mmtm 54.85 78.3 0.39 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.152 -0.967 . . . . 6.8399999999999999 109.61 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.1 5.25 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 121.337 1.358 . . . . 5.1200000000000001 110.069 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.3 mt -81.37 51.3 1.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.249 -0.907 . . . . 4.6600000000000001 109.314 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.91 -103.16 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.693 -0.63 . . . . 2.46 109.641 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.99 153.49 52.92 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.588 -1.405 . . . . 1.0800000000000001 109.588 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.11 123.21 15.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.282 -1.128 . . . . 1.6699999999999999 109.644 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.483 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 64.1 m-85 -93.81 155.01 17.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.311 -0.868 . . . . 1.01 109.269 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -137.03 -172.3 3.15 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.275 -0.89 . . . . 0.63 109.415 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 36.9 p -150.44 152.23 33.98 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.274 -1.01 . . . . 1.1299999999999999 108.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.08 133.76 22.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.115 -0.991 . . . . 1.1000000000000001 109.783 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.06 129.2 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 1.3700000000000001 108.611 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.65 110.68 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.488 -0.757 . . . . 1.1499999999999999 109.263 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.22 147.73 40.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.628 -0.67 . . . . 2.77 109.686 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.25 124.38 2.45 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.885 -1.286 . . . . 0.42999999999999999 109.885 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG3' ' D' ' 335' ' ' ARG . 9.7 ttm-85 -71.23 -42.94 68.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -1.196 . . . . 3.1200000000000001 109.332 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.76 -45.66 89.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 2.2200000000000002 109.619 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.7 -39.81 95.22 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.235 -0.916 . . . . 3.5 109.525 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.41 -54.37 41.65 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.447 -0.783 . . . . 0.5 109.779 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.97 -40.59 61.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.246 -0.909 . . . . 1.6899999999999999 109.715 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -63.4 -52.81 60.05 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.345 -0.847 . . . . 1.1399999999999999 110.306 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.24 -53.75 52.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.117 -0.989 . . . . 0.32000000000000001 109.169 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.96 -35.8 47.31 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.278 -0.889 . . . . 2.96 109.42 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -61.56 -48.73 79.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.156 -0.965 . . . . 1.75 109.649 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.32 -37.27 80.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 1.0800000000000001 108.724 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.13 -57.41 12.98 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 1.22 109.432 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.21 -35.47 80.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.375 -0.828 . . . . 1.73 109.539 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -54.39 47.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.859 . . . . 1.0700000000000001 109.939 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.17 -44.06 97.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.235 -0.915 . . . . 1.1100000000000001 109.538 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -35.9 75.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.9099999999999999 109.313 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.06 -48.94 74.27 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.291 -0.88 . . . . 1.1699999999999999 109.308 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.97 79.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.362 -0.836 . . . . 2.1499999999999999 108.959 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.88 -32.17 69.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.641 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.1 77.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 1.3 109.974 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -82.08 -9.39 59.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.876 . . . . 1.3999999999999999 109.573 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.91 -3.97 25.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.144 -0.972 . . . . 1.6000000000000001 109.267 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.82 36.73 2.99 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.778 -1.329 . . . . 1.5 109.778 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.09 134.79 34.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.081 -1.246 . . . . 4.5499999999999998 109.37 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -50.95 152.62 3.57 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 5.6699999999999999 109.444 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.87 166.47 2.93 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 121.243 1.296 . . . . 6.1200000000000001 110.073 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.464 -1.454 . . . . 7.2699999999999996 109.464 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.522 -0.547 . . . . 7.6600000000000001 109.522 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 321' ' ' LYS . 0.4 OUTLIER 58.17 -81.38 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.574 -0.704 . . . . 7.5099999999999998 109.773 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 319' ' ' LYS . 45.2 mtpt 59.04 146.55 0.06 OUTLIER Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 6.8099999999999996 109.825 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -58.19 -156.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 121.024 1.15 . . . . 5.1500000000000004 109.768 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.4 mt -79.4 146.47 32.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 4.7000000000000002 109.106 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -79.44 -142.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.48 109.731 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.15 165.88 45.37 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.646 -1.381 . . . . 1.0800000000000001 109.646 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -58.1 137.2 57.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -1.121 . . . . 1.7 109.458 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -93.82 158.46 15.65 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.287 -0.883 . . . . 1.04 109.644 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.83 -169.22 2.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.463 -0.773 . . . . 0.65000000000000002 109.286 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.86 149.93 29.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 1.1399999999999999 108.86 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -143.24 134.35 25.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.867 . . . . 1.0900000000000001 109.412 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.9 132.72 34.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.677 -0.861 . . . . 1.3700000000000001 108.677 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.12 113.71 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.464 -0.772 . . . . 1.1499999999999999 109.488 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -74.96 143.41 43.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 2.79 109.827 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.34 137.76 7.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.031 -1.227 . . . . 0.45000000000000001 110.031 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.495 ' CG ' HH11 ' A' ' 335' ' ' ARG . 1.3 ttt-85 -82.67 -44.69 15.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.395 -1.062 . . . . 3.1600000000000001 109.148 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.85 -43.01 85.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.343 -0.848 . . . . 2.2200000000000002 109.379 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.34 -40.62 97.81 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.28 -0.887 . . . . 3.54 109.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.92 -54.6 42.8 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.481 -0.762 . . . . 0.5 109.767 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.94 -38.74 57.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.818 . . . . 1.6599999999999999 109.855 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.56 -51.61 66.7 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 110.211 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.18 -43.82 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.34000000000000002 109.013 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -51.98 -42.7 63.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.218 -0.926 . . . . 2.9399999999999999 109.422 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.73 -53.32 59.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.887 . . . . 1.74 109.789 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.44 -35.59 76.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.121 -0.987 . . . . 1.0700000000000001 108.694 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.06 -55.62 32.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.401 -0.812 . . . . 1.22 109.45 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.306 -0.871 . . . . 1.72 109.609 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.69 64.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 110.021 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.129 -0.982 . . . . 1.0800000000000001 109.364 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.37 -35.68 74.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.211 -0.931 . . . . 1.9099999999999999 109.429 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.69 -51.28 65.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.372 -0.83 . . . . 1.1499999999999999 109.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.8 -46.06 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.811 . . . . 2.1400000000000001 109.181 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.68 -33.84 68.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.603 -0.686 . . . . 1.4299999999999999 109.706 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.97 84.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.87 . . . . 1.3 109.782 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.49 -4.21 55.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 1.4199999999999999 109.667 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -8.49 53.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 1.5800000000000001 109.598 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.97 -33.39 15.33 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.65 -1.38 . . . . 1.54 109.65 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -86.84 150.28 24.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -1.164 . . . . 4.5499999999999998 109.69 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.02 154.73 2.41 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 5.71 109.041 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.43 129.67 36.41 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.222 1.281 . . . . 6.0899999999999999 109.898 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.001 -1.444 . . . . 7.2400000000000002 109.614 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 321' ' ' LYS . 35.6 mtmt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.51 -0.552 . . . . 7.6699999999999999 109.51 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.4 OUTLIER 58.24 -81.37 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.563 -0.711 . . . . 7.46 109.759 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' B' ' 319' ' ' LYS . 45.3 mtpt 58.92 146.65 0.06 OUTLIER Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.756 -0.59 . . . . 6.79 109.734 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.7 Cg_endo -58.22 -156.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 120.944 1.096 . . . . 5.1500000000000004 109.764 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.34 146.47 32.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 4.6600000000000001 109.081 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.48 -143.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.207 -0.933 . . . . 2.4700000000000002 109.699 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.77 165.84 44.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.682 -1.367 . . . . 1.0600000000000001 109.682 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.11 137.14 57.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -1.075 . . . . 1.6100000000000001 109.474 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.84 158.28 15.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.223 -0.923 . . . . 0.96999999999999997 109.791 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.65 -169.14 2.4 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.59999999999999998 109.318 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.85 150.05 29.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 1.1000000000000001 108.793 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -143.25 134.38 25.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.267 -0.896 . . . . 1.1000000000000001 109.414 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.89 132.74 34.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.2 113.7 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.493 -0.754 . . . . 1.1699999999999999 109.383 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.12 143.39 43.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 2.79 109.789 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.38 137.85 7.1 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.048 -1.221 . . . . 0.47999999999999998 110.048 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.489 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.4 ttt-85 -82.67 -44.74 15.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -1.035 . . . . 3.2200000000000002 109.2 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.87 -43.13 85.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 2.21 109.28 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.19 -40.63 98.06 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.293 -0.879 . . . . 3.5499999999999998 109.409 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -55.93 -54.59 42.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.445 -0.784 . . . . 0.52000000000000002 109.762 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.95 -38.7 57.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 1.6799999999999999 109.806 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.57 -51.7 66.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 110.093 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.17 -43.8 98.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.106 -0.996 . . . . 0.33000000000000002 109.053 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.95 -42.69 63.07 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.259 -0.901 . . . . 3.02 109.442 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.72 -53.31 59.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.75 109.793 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.48 -35.49 76.02 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 108.749 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.17 -55.59 33.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.425 -0.797 . . . . 1.21 109.411 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.8 -33.01 74.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.36 -0.838 . . . . 1.6899999999999999 109.624 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.73 64.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 1.0600000000000001 110.008 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.38 -44.74 96.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 1.0800000000000001 109.395 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -59.31 -35.75 74.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.9299999999999999 109.415 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.63 -51.38 65.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 1.1399999999999999 109.181 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.68 -46.11 91.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.442 -0.786 . . . . 2.1899999999999999 109.137 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.67 -33.81 68.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.678 -0.639 . . . . 1.4299999999999999 109.695 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.86 84.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.9 . . . . 1.3100000000000001 109.788 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.51 -4.16 55.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.3999999999999999 109.674 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.33 -8.37 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.235 -0.915 . . . . 1.5700000000000001 109.58 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.02 -33.44 15.07 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.525 -1.43 . . . . 1.53 109.525 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -86.89 150.21 24.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -1.146 . . . . 4.5800000000000001 109.613 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -50.98 154.84 2.31 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.34 -0.85 . . . . 5.6799999999999997 108.973 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.48 129.71 36.61 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.16 1.24 . . . . 6.0499999999999998 109.845 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.364 0 CA-C-O 117.925 -1.486 . . . . 7.2000000000000002 109.537 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' C' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.472 -0.566 . . . . 9.2200000000000006 109.472 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' C' ' 321' ' ' LYS . 0.4 OUTLIER 58.2 -81.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.483 -0.761 . . . . 8.5099999999999998 109.758 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' C' ' 319' ' ' LYS . 45.3 mtpt 58.98 146.61 0.06 OUTLIER Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.762 -0.586 . . . . 7.4199999999999999 109.754 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.8 Cg_endo -58.28 -156.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 120.917 1.078 . . . . 5.0499999999999998 109.725 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.36 146.51 32.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 5.1399999999999997 109.151 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.41 -143.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 2.8500000000000001 109.708 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.92 165.8 44.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.692 -1.363 . . . . 1.27 109.692 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -58.06 137.08 57.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.288 -1.125 . . . . 2.1099999999999999 109.507 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -93.75 158.36 15.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.325 -0.86 . . . . 1.01 109.723 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -136.74 -169.16 2.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.57999999999999996 109.311 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.91 150.05 29.62 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -0.903 . . . . 1.1599999999999999 108.761 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -143.3 134.38 25.67 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 109.384 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 132.77 34.0 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.604 -0.888 . . . . 1.8100000000000001 108.604 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.13 113.65 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.493 -0.755 . . . . 1.1299999999999999 109.489 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.07 143.42 43.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 2.8199999999999998 109.75 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.86 7.04 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.037 -1.225 . . . . 0.45000000000000001 110.037 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.503 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.4 ttt-85 -82.73 -44.75 15.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.406 -1.055 . . . . 3.0800000000000001 109.168 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.76 -43.15 85.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.54 109.338 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.31 -40.65 97.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.229 -0.92 . . . . 4.1100000000000003 109.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.81 -54.63 42.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.46 -0.775 . . . . 0.56999999999999995 109.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.97 -38.58 57.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.295 -0.878 . . . . 1.6599999999999999 109.866 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttp -62.67 -51.61 66.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.279 -0.888 . . . . 1.29 110.154 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -43.72 98.43 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.15 -0.969 . . . . 0.40000000000000002 109.028 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.07 -42.66 63.34 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.228 -0.92 . . . . 3.8500000000000001 109.439 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.77 -53.26 60.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 1.78 109.744 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.44 -35.6 76.22 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 108.722 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.08 -55.63 32.64 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.409 -0.807 . . . . 1.2 109.387 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 2.1200000000000001 109.621 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -52.74 64.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 1.0700000000000001 109.975 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.8 mt -61.49 -44.7 96.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 1.1399999999999999 109.334 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.29 -35.81 74.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 2.0899999999999999 109.348 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.65 -51.31 65.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 1.3799999999999999 109.134 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.83 -46.02 91.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.31 -0.869 . . . . 2.6800000000000002 109.139 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.71 -33.78 68.78 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.603 -0.686 . . . . 1.3400000000000001 109.742 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.0 84.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 1.3 109.78 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.38 -4.27 55.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 1.8 109.734 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -8.38 53.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 1.47 109.619 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.05 -33.41 15.04 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.601 -1.4 . . . . 1.6599999999999999 109.601 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -86.84 150.16 24.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.259 -1.142 . . . . 4.7800000000000002 109.661 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.88 154.74 2.31 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.284 -0.885 . . . . 6.1900000000000004 109.011 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.47 129.74 36.77 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.152 1.235 . . . . 6.1799999999999997 109.845 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 117.992 -1.449 . . . . 6.9000000000000004 109.613 179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.46 -0.57 . . . . 7.6900000000000004 109.46 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' D' ' 321' ' ' LYS . 0.4 OUTLIER 58.19 -81.32 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 7.4500000000000002 109.751 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' D' ' 319' ' ' LYS . 45.3 mtpt 58.95 146.61 0.06 OUTLIER Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.779 -0.575 . . . . 6.8399999999999999 109.802 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.23 -156.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 120.977 1.118 . . . . 5.1200000000000001 109.733 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 146.53 32.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 4.6600000000000001 109.105 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 -143.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.207 -0.933 . . . . 2.46 109.64 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.95 165.88 44.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.708 -1.357 . . . . 1.0800000000000001 109.708 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.14 137.07 57.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.244 -1.151 . . . . 1.6699999999999999 109.474 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -93.63 158.41 15.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.283 -0.886 . . . . 1.01 109.803 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -136.79 -169.14 2.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.393 -0.817 . . . . 0.63 109.336 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.99 149.86 29.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.259 -0.901 . . . . 1.1299999999999999 108.748 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -143.13 134.43 26.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.874 . . . . 1.1000000000000001 109.479 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -86.04 132.75 33.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.12 113.68 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.474 -0.766 . . . . 1.1499999999999999 109.452 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.01 143.38 43.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 2.77 109.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.35 137.77 7.04 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.026 -1.23 . . . . 0.42999999999999999 110.026 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.501 ' CG ' HH11 ' D' ' 335' ' ' ARG . 1.4 ttt-85 -82.56 -44.83 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.447 -1.031 . . . . 3.1200000000000001 109.153 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.82 -43.04 85.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -0.849 . . . . 2.2200000000000002 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.37 -40.59 97.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.301 -0.874 . . . . 3.5 109.336 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -55.93 -54.61 42.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.747 . . . . 0.5 109.835 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.81 -38.77 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 109.903 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.55 -51.69 66.39 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 110.141 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.15 -43.81 98.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.1 -1.0 . . . . 0.32000000000000001 108.96 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.0 -42.6 63.12 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.28 -0.888 . . . . 2.96 109.538 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.83 -53.24 60.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 1.75 109.804 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.48 -35.55 76.18 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.243 -0.911 . . . . 1.0800000000000001 108.735 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.02 -55.68 32.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.386 -0.821 . . . . 1.22 109.453 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.79 -33.0 74.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 1.73 109.681 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -52.6 64.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 110.001 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 1.1100000000000001 109.347 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.31 -35.73 74.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -0.887 . . . . 1.9099999999999999 109.381 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.68 -51.41 65.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.407 -0.808 . . . . 1.1699999999999999 109.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.74 -46.01 91.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.346 -0.846 . . . . 2.1499999999999999 109.179 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.61 -33.98 68.79 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.75 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.0 85.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 1.3 109.783 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.45 -4.25 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.149 -0.969 . . . . 1.3999999999999999 109.707 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -8.4 53.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.135 -0.978 . . . . 1.6000000000000001 109.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.05 -33.47 14.9 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.547 -1.421 . . . . 1.5 109.547 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -86.83 150.23 24.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.191 -1.182 . . . . 4.5499999999999998 109.65 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.06 154.8 2.41 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.28 -0.887 . . . . 5.6699999999999999 109.007 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.38 129.66 36.4 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 121.113 1.208 . . . . 6.1200000000000001 109.981 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.941 -1.477 . . . . 7.2699999999999996 109.568 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.487 -0.56 . . . . 7.6600000000000001 109.487 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 54.61 69.33 0.74 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.336 -0.853 . . . . 7.5099999999999998 109.453 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 323' ' ' LEU . 61.0 mttm 52.06 83.34 0.23 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 6.8099999999999996 109.228 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.83 2.76 0.51 Allowed 'Trans proline' 0 C--N 1.321 -0.868 0 C-N-CA 121.144 1.229 . . . . 5.1500000000000004 110.285 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.4 mt -82.18 93.27 7.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.045 -1.034 . . . . 4.7000000000000002 108.865 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.56 112.33 19.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.534 -0.729 . . . . 2.48 109.969 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.23 149.7 47.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.159 -1.577 . . . . 1.0800000000000001 109.159 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -59.72 125.31 23.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -1.163 . . . . 1.7 109.566 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 34.1 m-85 -94.13 147.99 22.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.222 -0.924 . . . . 1.04 109.351 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -136.05 -172.95 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.349 -0.844 . . . . 0.65000000000000002 109.513 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.6 p -150.29 148.47 28.9 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 1.1399999999999999 108.759 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.74 136.08 33.79 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.319 -0.863 . . . . 1.0900000000000001 109.761 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.436 HE22 ' N ' ' A' ' 333' ' ' ARG . 8.3 tm0? -85.75 127.65 34.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.654 -0.869 . . . . 1.3700000000000001 108.654 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.86 111.48 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.478 -0.764 . . . . 1.1499999999999999 109.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.482 ' NH2' ' H ' ' C' ' 325' ' ' GLY . 59.6 ttt180 -73.84 151.95 40.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.727 . . . . 2.79 109.618 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.93 127.06 1.93 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.761 -1.336 . . . . 0.45000000000000001 109.761 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.57 -36.45 44.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.278 -1.13 . . . . 3.1600000000000001 109.24 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.18 -50.64 72.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 2.2200000000000002 109.483 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.445 HH11 ' HG3' ' A' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.3 87.15 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.215 -0.928 . . . . 3.54 109.75 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -50.99 -53.46 33.0 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.296 -0.878 . . . . 0.5 109.172 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -55.47 -37.13 67.38 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.403 -0.81 . . . . 1.6599999999999999 109.246 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.39 -52.92 59.62 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.1499999999999999 110.411 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.108 -0.995 . . . . 0.34000000000000002 109.286 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.27 -42.52 61.15 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.14 -0.975 . . . . 2.9399999999999999 109.56 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.7 -44.74 93.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.276 -0.89 . . . . 1.74 110.133 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.49 -42.6 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.049 -1.032 . . . . 1.0700000000000001 109.394 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.59 -49.04 78.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.907 . . . . 1.22 109.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.16 -40.81 98.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.72 110.278 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.9 -59.01 5.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 1.0700000000000001 110.154 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.8 -40.16 91.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.278 -0.889 . . . . 1.0800000000000001 109.475 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -61.01 -36.84 80.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 1.9099999999999999 108.959 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.01 -47.82 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 1.1499999999999999 108.981 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.24 66.29 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.868 0.842 . . . . 2.1400000000000001 109.058 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.71 -32.69 63.54 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.807 -0.558 . . . . 1.4299999999999999 109.823 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.94 79.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.153 -0.967 . . . . 1.3 109.599 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 356' ' ' GLY . 17.7 mt-30 -81.71 -2.55 50.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 1.4199999999999999 109.669 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.95 4.03 1.72 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.165 -0.959 . . . . 1.5800000000000001 109.719 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 354' ' ' GLN . . . -85.26 -22.94 50.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.407 -1.477 . . . . 1.54 109.407 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -87.51 163.44 16.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -1.163 . . . . 4.5499999999999998 109.168 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.41 151.34 3.93 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 5.71 109.018 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.91 165.88 4.51 Favored 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.17 1.247 . . . . 6.0899999999999999 109.852 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.018 -1.435 . . . . 7.2400000000000002 109.515 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.446 -0.575 . . . . 7.6699999999999999 109.446 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.58 69.37 0.73 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 7.46 109.465 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' B' ' 323' ' ' LEU . 61.0 mttm 52.07 83.38 0.23 Allowed Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 6.79 109.189 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -61.89 2.73 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.866 0 C-N-CA 121.085 1.19 . . . . 5.1500000000000004 110.359 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.4 mt -82.18 93.3 7.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.088 -1.007 . . . . 4.6600000000000001 108.882 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.44 112.44 19.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.477 -0.765 . . . . 2.4700000000000002 109.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -70.53 149.73 47.24 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.155 -1.578 . . . . 1.0600000000000001 109.155 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.76 125.3 23.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -1.158 . . . . 1.6100000000000001 109.572 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.52 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 34.8 m-85 -94.03 147.91 22.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.287 -0.883 . . . . 0.96999999999999997 109.484 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.408 ' H ' HE21 ' D' ' 331' ' ' GLN . 81.6 m-85 -136.0 -172.94 3.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.249 -0.907 . . . . 0.59999999999999998 109.478 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -150.34 148.37 28.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.301 -0.875 . . . . 1.1000000000000001 108.769 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.69 136.02 33.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.74 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.441 HE22 ' N ' ' B' ' 333' ' ' ARG . 8.3 tm0? -85.67 127.62 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.79 111.41 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.457 -0.777 . . . . 1.1699999999999999 109.227 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.488 ' NH2' ' H ' ' D' ' 325' ' ' GLY . 59.5 ttt180 -73.8 151.92 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.478 -0.764 . . . . 2.79 109.65 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.96 127.22 1.96 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.772 -1.331 . . . . 0.47999999999999998 109.772 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.79 -36.46 42.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -1.161 . . . . 3.2200000000000002 109.178 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.12 -50.71 72.63 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.261 -0.899 . . . . 2.21 109.449 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.445 HH11 ' HG3' ' B' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.283 -0.886 . . . . 3.5499999999999998 109.779 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -51.13 -53.3 35.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.373 -0.83 . . . . 0.52000000000000002 109.198 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.51 -37.18 67.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.331 -0.856 . . . . 1.6799999999999999 109.173 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.36 -52.85 60.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.547 -0.721 . . . . 1.1499999999999999 110.427 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.89 -45.89 91.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.088 -1.008 . . . . 0.33000000000000002 109.21 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.21 -42.57 61.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.268 -0.895 . . . . 3.02 109.613 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.55 -44.8 93.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 1.75 110.23 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.54 -42.56 96.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.0700000000000001 109.446 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -58.47 -49.18 78.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.21 109.649 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.99 -40.92 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.314 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.96 6.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 1.0600000000000001 110.133 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.86 -40.17 91.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.315 -0.866 . . . . 1.0800000000000001 109.434 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.93 -36.86 80.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.064 -1.023 . . . . 1.9299999999999999 109.05 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.03 -47.89 81.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.1399999999999999 108.987 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.49 -51.3 66.18 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.861 0.839 . . . . 2.1899999999999999 108.978 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -55.78 -32.61 63.62 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.762 -0.586 . . . . 1.4299999999999999 109.748 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.89 79.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 1.3100000000000001 109.563 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.435 ' C ' ' H ' ' B' ' 356' ' ' GLY . 17.6 mt-30 -81.83 -2.46 51.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 1.3999999999999999 109.631 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 4.07 1.76 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 1.5700000000000001 109.631 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' B' ' 354' ' ' GLN . . . -85.35 -22.83 50.16 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.391 -1.484 . . . . 1.53 109.391 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -87.58 163.51 16.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -1.144 . . . . 4.5800000000000001 109.108 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.48 151.36 3.99 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.129 -0.982 . . . . 5.6799999999999997 108.976 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.86 165.91 4.43 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.099 1.2 . . . . 6.0499999999999998 109.834 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.983 -1.454 . . . . 7.2000000000000002 109.518 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.468 -0.568 . . . . 9.2200000000000006 109.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.62 69.17 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 8.5099999999999998 109.462 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' C' ' 323' ' ' LEU . 61.2 mttm 52.24 83.36 0.23 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 7.4199999999999999 109.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -61.81 2.71 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.138 1.225 . . . . 5.0499999999999998 110.331 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.4 mt -82.24 93.33 7.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.972 -1.08 . . . . 5.1399999999999997 108.948 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.52 112.27 19.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.494 -0.754 . . . . 2.8500000000000001 109.979 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.518 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -70.21 149.68 47.67 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.203 -1.559 . . . . 1.27 109.203 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.73 125.31 23.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -1.125 . . . . 2.1099999999999999 109.573 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 34.4 m-85 -94.08 147.9 22.69 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.273 -0.892 . . . . 1.01 109.431 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -135.98 -172.91 3.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.358 -0.839 . . . . 0.57999999999999996 109.541 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -150.31 148.48 28.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.235 -0.915 . . . . 1.1599999999999999 108.773 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.1 tp -139.75 136.05 33.73 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.379 -0.826 . . . . 1.1699999999999999 109.774 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.426 HE22 ' N ' ' C' ' 333' ' ' ARG . 8.4 tm0? -85.65 127.68 34.56 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.692 -0.855 . . . . 1.8100000000000001 108.692 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 111.34 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.513 -0.742 . . . . 1.1299999999999999 109.217 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.461 ' NH2' ' H ' ' A' ' 325' ' ' GLY . 59.4 ttt180 -73.69 151.96 40.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.546 -0.721 . . . . 2.8199999999999998 109.571 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.85 127.12 1.91 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.761 -1.336 . . . . 0.45000000000000001 109.761 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.64 -36.5 43.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.246 -1.15 . . . . 3.0800000000000001 109.239 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.18 -50.64 72.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.228 -0.92 . . . . 2.54 109.439 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.441 HH11 ' HG3' ' C' ' 337' ' ' ARG . 23.3 ttm-85 -64.87 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.243 -0.911 . . . . 4.1100000000000003 109.747 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.43 33.2 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.56999999999999995 109.228 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -55.46 -37.18 67.41 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.227 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.32 -52.9 60.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.402 -0.811 . . . . 1.29 110.448 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.87 -45.87 91.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.089 -1.007 . . . . 0.40000000000000002 109.244 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.18 -42.59 60.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.169 -0.957 . . . . 3.8500000000000001 109.632 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.59 -44.79 93.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.311 -0.868 . . . . 1.78 110.161 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.56 -42.6 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.955 . . . . 1.1699999999999999 109.335 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.14 78.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.226 -0.921 . . . . 1.2 109.638 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.05 -40.78 98.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.374 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -59.04 5.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 1.0700000000000001 110.158 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.82 -40.12 91.59 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.328 -0.858 . . . . 1.1399999999999999 109.476 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -60.93 -36.89 80.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.014 -1.054 . . . . 2.0899999999999999 109.009 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.9 81.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.348 -0.845 . . . . 1.3799999999999999 108.929 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.53 -51.24 66.33 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.784 0.802 . . . . 2.6800000000000002 108.957 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -55.8 -32.62 63.67 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.84 -0.538 . . . . 1.3400000000000001 109.831 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.95 79.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 1.3 109.58 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' C' ' 356' ' ' GLY . 17.6 mt-30 -81.72 -2.58 51.1 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 1.8 109.619 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.0 4.14 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.47 109.698 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' C' ' 354' ' ' GLN . . . -85.41 -22.77 50.13 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.384 -1.486 . . . . 1.6599999999999999 109.384 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -87.59 163.47 16.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -1.139 . . . . 4.7800000000000002 109.096 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.43 151.35 3.94 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.103 -0.998 . . . . 6.1900000000000004 109.03 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.91 165.9 4.49 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.035 1.157 . . . . 6.1799999999999997 109.869 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.507 -1.437 . . . . 6.9000000000000004 109.507 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.315 0.579 . . . . 7.6900000000000004 109.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 55.8 mttm 54.59 69.26 0.74 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.896 . . . . 7.4500000000000002 109.521 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' D' ' 323' ' ' LEU . 61.0 mttm 52.11 83.31 0.23 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.962 . . . . 6.8399999999999999 109.191 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.73 2.71 0.5 Allowed 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.204 1.269 . . . . 5.1200000000000001 110.348 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.6 mt -82.28 93.29 7.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.034 -1.041 . . . . 4.6600000000000001 108.879 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.46 112.37 19.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.474 -0.767 . . . . 2.46 109.99 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -70.35 149.75 47.55 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.214 -1.554 . . . . 1.0800000000000001 109.214 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.76 125.34 23.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -1.084 . . . . 1.6699999999999999 109.549 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 34.3 m-85 -94.05 147.95 22.64 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.916 . . . . 1.01 109.468 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.406 ' H ' HE21 ' B' ' 331' ' ' GLN . 81.4 m-85 -136.02 -173.01 3.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.289 -0.882 . . . . 0.63 109.549 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -150.34 148.39 28.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.863 . . . . 1.1299999999999999 108.782 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.68 136.21 34.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 1.1000000000000001 109.671 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.424 HE22 ' N ' ' D' ' 333' ' ' ARG . 8.4 tm0? -85.78 127.64 34.6 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.2 mt -123.81 111.43 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.513 -0.742 . . . . 1.1499999999999999 109.225 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.502 ' NH2' ' H ' ' B' ' 325' ' ' GLY . 59.5 ttt180 -73.81 151.99 40.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 2.77 109.622 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 127.17 1.92 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.801 -1.32 . . . . 0.42999999999999999 109.801 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.66 -36.54 43.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -1.136 . . . . 3.1200000000000001 109.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.15 -50.63 72.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.247 -0.908 . . . . 2.2200000000000002 109.468 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' D' ' 337' ' ' ARG . 23.1 ttm-85 -64.84 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.275 -0.89 . . . . 3.5 109.794 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.4 33.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.427 -0.796 . . . . 0.5 109.287 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.47 -37.1 67.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.296 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.37 -52.91 59.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.395 -0.816 . . . . 1.1399999999999999 110.435 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.093 -1.004 . . . . 0.32000000000000001 109.312 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.54 61.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.146 -0.971 . . . . 2.96 109.631 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.71 -44.7 93.6 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 1.75 110.142 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.55 -42.55 96.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 1.0800000000000001 109.408 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.17 78.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.3 -0.875 . . . . 1.22 109.625 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.04 -40.86 98.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 1.73 110.345 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.14 5.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 1.0700000000000001 110.091 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.69 -40.21 91.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 1.1100000000000001 109.511 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -61.02 -36.79 80.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.108 -0.995 . . . . 1.9099999999999999 109.029 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.83 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 1.1699999999999999 108.981 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.35 65.83 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.86 0.838 . . . . 2.1499999999999999 108.973 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.69 -32.63 63.45 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.774 -0.579 . . . . 1.4399999999999999 109.843 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.98 79.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 1.3 109.547 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' D' ' 356' ' ' GLY . 17.6 mt-30 -81.79 -2.52 51.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.898 . . . . 1.3999999999999999 109.639 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.95 4.08 1.7 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.883 . . . . 1.6000000000000001 109.664 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' D' ' 354' ' ' GLN . . . -85.32 -22.83 50.26 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.441 -1.464 . . . . 1.5 109.441 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -87.55 163.49 16.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 4.5499999999999998 109.112 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -50.42 151.34 3.93 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 5.6699999999999999 109.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.85 165.82 4.51 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.14 1.227 . . . . 6.1200000000000001 109.882 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.468 -1.453 . . . . 7.2699999999999996 109.468 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.539 -0.541 . . . . 7.6600000000000001 109.539 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 53.1 tttm 56.34 66.5 1.18 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.91 . . . . 7.5099999999999998 109.624 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 53.82 67.18 3.76 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.322 -0.861 . . . . 6.8099999999999996 109.954 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.99 152.47 79.23 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 121.423 1.416 . . . . 5.1500000000000004 109.711 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.35 103.2 10.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.139 -0.976 . . . . 4.7000000000000002 109.117 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.38 142.15 33.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 2.48 109.695 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.91 167.54 45.54 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.291 -1.524 . . . . 1.0800000000000001 109.291 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -58.62 139.81 55.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -1.206 . . . . 1.7 109.543 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.09 157.78 16.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.28 -0.887 . . . . 1.04 109.39 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.05 -171.67 3.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.381 -0.825 . . . . 0.65000000000000002 109.241 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -152.01 147.16 26.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 108.783 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.59 132.77 26.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 1.0900000000000001 109.65 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.0 130.76 34.57 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.591 -0.892 . . . . 1.3700000000000001 108.591 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.51 116.73 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.546 -0.721 . . . . 1.1499999999999999 109.51 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.34 149.82 40.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.679 -0.638 . . . . 2.79 109.645 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.4 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.136 -1.185 . . . . 0.45000000000000001 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -84.27 -45.66 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -1.125 . . . . 3.1600000000000001 109.327 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.9 -42.16 84.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 2.2200000000000002 109.078 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.59 -43.81 97.88 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.227 -0.921 . . . . 3.54 108.974 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.66 -53.7 53.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.635 -0.665 . . . . 0.5 109.692 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.89 -39.66 59.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.384 -0.823 . . . . 1.6599999999999999 110.062 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.63 -49.81 73.71 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.222 -0.924 . . . . 1.1499999999999999 110.252 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.0 -41.49 96.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 0.34000000000000002 109.112 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.09 -44.04 64.19 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.24 -0.912 . . . . 2.9399999999999999 109.651 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.21 -53.59 55.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 1.74 109.937 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.87 -37.74 80.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.124 -0.985 . . . . 1.0700000000000001 108.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.416 ' O ' ' OE1' ' A' ' 349' ' ' GLU . 22.7 t-20 -59.76 -56.91 15.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.364 -0.835 . . . . 1.22 109.568 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.86 71.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 1.72 110.125 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.37 86.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 1.0700000000000001 109.856 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.93 -51.01 68.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 1.0800000000000001 109.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 345' ' ' ASN . 2.8 mp0 -57.06 -34.13 67.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 1.9099999999999999 109.558 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.21 -46.77 85.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.125 -0.984 . . . . 1.1499999999999999 108.945 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.61 -52.3 61.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.375 -0.828 . . . . 2.1400000000000001 108.944 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.05 -30.94 66.56 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.638 -0.664 . . . . 1.4299999999999999 109.61 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.14 84.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.197 -0.939 . . . . 1.3 110.008 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -81.61 -7.06 59.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.165 -0.959 . . . . 1.4199999999999999 109.852 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.39 -20.32 61.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 1.5800000000000001 109.366 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 40.99 3.03 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.637 -1.385 . . . . 1.54 109.637 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.2 18.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.117 -1.225 . . . . 4.5499999999999998 109.601 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 164.02 0.54 Allowed Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.395 -0.816 . . . . 5.71 108.903 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.32 147.01 79.71 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 121.419 1.413 . . . . 6.0899999999999999 109.767 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.491 -1.444 . . . . 7.2400000000000002 109.491 179.874 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.445 -0.576 . . . . 7.6699999999999999 109.445 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 53.3 tttm 56.34 66.44 1.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.323 -0.86 . . . . 7.46 109.673 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 53.88 67.23 3.7 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 6.79 109.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.01 152.45 79.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.468 1.445 . . . . 5.1500000000000004 109.72 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.3 103.22 10.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.963 . . . . 4.6600000000000001 109.15 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.41 142.14 33.26 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 2.4700000000000002 109.643 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.94 167.62 45.52 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.217 -1.553 . . . . 1.0600000000000001 109.217 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.7 139.89 55.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.218 -1.166 . . . . 1.6100000000000001 109.574 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.13 157.74 16.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.96999999999999997 109.386 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.55 2.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -0.801 . . . . 0.59999999999999998 109.212 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.1 147.51 26.55 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.287 -0.883 . . . . 1.1000000000000001 108.742 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.93 132.68 25.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 1.1000000000000001 109.642 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -85.09 130.81 34.55 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.493 -0.928 . . . . 1.3600000000000001 108.493 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.4 mt -123.62 116.65 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.459 -0.776 . . . . 1.1699999999999999 109.456 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.25 149.8 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.596 -0.69 . . . . 2.79 109.711 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.39 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.124 -1.19 . . . . 0.47999999999999998 110.124 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -84.25 -45.63 12.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -1.086 . . . . 3.2200000000000002 109.35 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.04 -41.99 84.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 2.21 109.031 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.67 -43.86 97.74 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.33 -0.856 . . . . 3.5499999999999998 108.939 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.66 -53.73 52.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.61 -0.681 . . . . 0.52000000000000002 109.652 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.76 59.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 1.6799999999999999 110.038 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.5 ttp -62.61 -49.78 73.85 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.216 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -41.53 96.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.133 -0.979 . . . . 0.33000000000000002 109.134 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.18 -43.89 64.37 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.19 -0.944 . . . . 3.02 109.718 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.21 -53.66 55.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 1.75 109.903 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.19 -0.943 . . . . 1.0700000000000001 108.82 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' B' ' 349' ' ' GLU . 22.6 t-20 -59.82 -56.87 16.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.43 -0.794 . . . . 1.21 109.522 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.42 -31.84 71.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.307 -0.871 . . . . 1.6899999999999999 110.031 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.37 87.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 109.915 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.91 -51.17 67.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 1.0800000000000001 109.817 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 345' ' ' ASN . 2.8 mp0 -56.81 -34.22 67.48 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.079 -1.013 . . . . 1.9299999999999999 109.586 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.29 -46.7 85.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.021 -1.049 . . . . 1.1399999999999999 108.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.69 -52.16 61.87 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.426 -0.796 . . . . 2.1899999999999999 108.991 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.04 -31.04 66.64 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.71 -0.619 . . . . 1.4299999999999999 109.604 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.15 84.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.3100000000000001 110.002 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -81.67 -7.05 59.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.179 -0.951 . . . . 1.3999999999999999 109.828 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -20.32 61.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 1.5700000000000001 109.351 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 40.95 3.03 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.655 -1.378 . . . . 1.53 109.655 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -86.22 109.23 18.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.198 -1.178 . . . . 4.5800000000000001 109.674 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.56 164.01 0.55 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.254 -0.903 . . . . 5.6799999999999997 108.912 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -57.39 146.93 80.66 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 121.387 1.391 . . . . 6.0499999999999998 109.86 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.492 -1.443 . . . . 7.2000000000000002 109.492 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.458 -0.571 . . . . 9.2200000000000006 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 56.35 66.56 1.16 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.285 -0.884 . . . . 8.5099999999999998 109.638 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 53.73 67.25 3.74 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 7.4199999999999999 109.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.01 152.42 79.58 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.444 1.429 . . . . 5.0499999999999998 109.7 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.24 103.27 10.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.134 -0.979 . . . . 5.1399999999999997 109.141 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.39 142.13 33.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.415 -0.803 . . . . 2.8500000000000001 109.681 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 167.6 45.66 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.233 -1.547 . . . . 1.27 109.233 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.72 139.84 55.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -1.202 . . . . 2.1099999999999999 109.567 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.06 157.7 16.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -0.889 . . . . 1.01 109.414 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.04 -171.69 3.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.448 -0.782 . . . . 0.57999999999999996 109.233 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.95 147.36 26.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.306 -0.871 . . . . 1.1599999999999999 108.738 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.77 132.69 25.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.338 -0.852 . . . . 1.1699999999999999 109.657 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -84.93 130.79 34.58 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.566 -0.901 . . . . 1.8100000000000001 108.566 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.5 mt -123.59 116.7 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.461 -0.774 . . . . 1.1299999999999999 109.451 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.3 149.89 40.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.577 -0.702 . . . . 2.8199999999999998 109.691 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 138.36 2.87 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.184 -1.166 . . . . 0.45000000000000001 110.184 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -84.27 -45.63 12.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.421 -1.047 . . . . 3.0800000000000001 109.36 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.99 -42.17 84.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 2.54 109.034 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.62 -43.8 97.9 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.37 -0.831 . . . . 4.1100000000000003 108.899 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.63 -53.72 52.97 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.627 -0.671 . . . . 0.56999999999999995 109.668 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.77 59.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.02 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.64 -49.78 73.83 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.164 -0.96 . . . . 1.29 110.233 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.04 -41.49 96.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.069 -1.019 . . . . 0.40000000000000002 109.081 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.1 -44.02 64.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 3.8500000000000001 109.685 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.05 -53.72 54.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 1.78 109.918 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.83 -37.77 80.15 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.16 -0.962 . . . . 1.1699999999999999 108.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' C' ' 349' ' ' GLU . 22.7 t-20 -59.77 -56.88 16.36 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.392 -0.818 . . . . 1.2 109.54 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.81 71.74 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 2.1200000000000001 110.078 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -46.43 86.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.889 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.85 -51.24 67.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 1.1399999999999999 109.824 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' C' ' 345' ' ' ASN . 2.8 mp0 -56.84 -34.17 67.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 2.0899999999999999 109.537 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.33 -46.73 85.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.066 -1.021 . . . . 1.3799999999999999 108.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.55 -52.28 61.8 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.438 -0.788 . . . . 2.6800000000000002 109.018 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.91 -31.06 66.41 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.693 -0.629 . . . . 1.3400000000000001 109.633 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.08 83.93 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.219 -0.926 . . . . 1.3 109.988 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.408 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 48.6 mt-30 -81.69 -6.97 59.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 1.8 109.836 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -20.33 61.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.185 -0.947 . . . . 1.47 109.359 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 40.93 3.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.637 -1.385 . . . . 1.6599999999999999 109.637 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.23 18.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.136 -1.214 . . . . 4.7800000000000002 109.578 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.55 164.03 0.55 Allowed Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 121.3 -0.875 . . . . 6.1900000000000004 108.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.38 147.08 79.71 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 121.36 1.373 . . . . 6.1799999999999997 109.765 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.486 -1.446 . . . . 6.9000000000000004 109.486 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.56 -0.533 . . . . 7.6900000000000004 109.56 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 56.3 66.51 1.18 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.318 -0.864 . . . . 7.4500000000000002 109.644 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 80.2 tttt 53.83 67.13 3.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.28 -0.887 . . . . 6.8399999999999999 109.956 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.99 152.43 79.42 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 121.373 1.382 . . . . 5.1200000000000001 109.795 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.24 103.24 9.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 4.6600000000000001 109.17 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -81.37 142.18 33.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 2.46 109.701 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 167.64 45.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.243 -1.543 . . . . 1.0800000000000001 109.243 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 139.74 55.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.155 -1.203 . . . . 1.6699999999999999 109.608 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.01 157.69 16.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 1.01 109.383 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.6 2.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.63 109.244 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -152.02 147.51 26.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.271 -0.893 . . . . 1.1299999999999999 108.799 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.9 tp -141.88 132.76 25.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.326 -0.859 . . . . 1.1000000000000001 109.651 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.12 130.78 34.55 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.493 -0.928 . . . . 1.3700000000000001 108.493 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.64 116.7 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.472 -0.768 . . . . 1.1499999999999999 109.448 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.33 149.79 40.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.66 -0.65 . . . . 2.77 109.714 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 138.47 2.92 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.147 -1.181 . . . . 0.42999999999999999 110.147 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -84.19 -45.74 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -1.097 . . . . 3.1200000000000001 109.351 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.87 -42.17 83.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.63 -43.84 97.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 3.5 108.882 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.72 -53.7 53.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.645 -0.659 . . . . 0.5 109.605 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.84 -39.78 59.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.86 . . . . 1.6899999999999999 110.02 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 110.167 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.0 -41.43 96.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.971 . . . . 0.32000000000000001 109.124 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.14 -43.99 64.32 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.285 -0.884 . . . . 2.96 109.69 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.11 -53.71 54.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.192 -0.943 . . . . 1.75 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.87 -37.79 80.34 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 108.825 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' D' ' 349' ' ' GLU . 22.7 t-20 -59.78 -56.94 15.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.431 -0.793 . . . . 1.22 109.489 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.3 -31.93 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.73 110.088 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.43 -46.47 86.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 109.938 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.89 -50.96 68.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.192 -0.943 . . . . 1.1100000000000001 109.902 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 345' ' ' ASN . 2.8 mp0 -57.11 -34.05 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 1.9099999999999999 109.547 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.24 -46.83 85.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.007 -1.058 . . . . 1.1699999999999999 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.62 -52.16 62.07 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.442 -0.786 . . . . 2.1499999999999999 108.984 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.06 -30.91 66.56 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.659 -0.651 . . . . 1.4399999999999999 109.637 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.1 83.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.312 -0.867 . . . . 1.3 109.983 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.408 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 48.6 mt-30 -81.64 -7.1 59.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 1.3999999999999999 109.801 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.35 -20.4 61.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.05 -1.031 . . . . 1.6000000000000001 109.388 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 40.94 3.03 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.602 -1.399 . . . . 1.5 109.602 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.3 18.88 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.216 -1.167 . . . . 4.5499999999999998 109.567 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 164.01 0.55 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 5.6699999999999999 108.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.41 147.05 80.16 Favored 'Trans proline' 0 C--N 1.32 -0.945 0 C-N-CA 121.315 1.343 . . . . 6.1200000000000001 109.792 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.975 -1.459 . . . . 7.2699999999999996 109.503 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.5 -0.556 . . . . 7.6600000000000001 109.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.35 63.33 2.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.32 -0.863 . . . . 7.5099999999999998 109.703 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 323' ' ' LEU . 78.0 mttt 54.32 68.6 2.6 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 6.8099999999999996 109.777 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.51 14.98 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.557 1.505 . . . . 5.1500000000000004 110.344 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.0 mt -79.73 109.41 14.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.928 -1.107 . . . . 4.7000000000000002 109.469 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -81.47 -157.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.841 . . . . 2.48 109.787 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.22 -178.05 18.09 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.894 -1.282 . . . . 1.0800000000000001 109.894 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.96 136.56 58.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -1.039 . . . . 1.7 109.741 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.06 157.89 15.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.261 -0.9 . . . . 1.04 109.677 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.65000000000000002 109.122 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.8 p -96.01 160.63 14.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.28 -0.888 . . . . 1.1399999999999999 109.2 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.31 135.81 20.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 1.0900000000000001 110.105 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.7 130.34 34.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 1.3700000000000001 108.887 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.84 114.25 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 CA-C-O 121.576 0.703 . . . . 1.1499999999999999 109.436 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -76.26 146.29 39.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 2.79 110.008 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.68 6.97 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.537 -1.025 . . . . 0.45000000000000001 110.537 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.421 ' O ' ' OE2' ' A' ' 339' ' ' GLU . 27.6 ttm180 -85.2 -45.78 11.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.403 -1.057 . . . . 3.1600000000000001 109.31 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.6 80.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 2.2200000000000002 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.44 -0.787 . . . . 3.54 109.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -54.29 -59.48 4.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.378 -0.826 . . . . 0.5 110.341 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' ' 335' ' ' ARG . 4.9 mp0 -51.56 -34.83 38.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.137 -0.977 . . . . 1.6599999999999999 110.021 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.53 -52.54 57.19 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 110.219 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.48 -45.22 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.34000000000000002 108.982 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.99 -43.94 60.78 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.376 -0.828 . . . . 2.9399999999999999 109.532 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.55 -48.21 82.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 1.74 109.941 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.51 -41.55 97.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.329 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.59 -51.0 71.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 1.22 109.538 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.14 -36.87 85.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.865 . . . . 1.72 109.708 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.09 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.898 . . . . 1.0700000000000001 109.928 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -48.0 82.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 1.0800000000000001 109.489 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.76 72.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.619 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.04 -50.38 68.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 1.1499999999999999 109.346 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.16 -47.32 80.3 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.407 -0.808 . . . . 2.1400000000000001 109.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.77 -35.28 72.52 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.593 -0.692 . . . . 1.4299999999999999 109.645 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -48.12 68.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 1.3 109.88 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.4 ' OE1' ' OE1' ' B' ' 354' ' ' GLN . 22.6 mt-30 -81.66 -2.93 52.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.34 -0.85 . . . . 1.4199999999999999 109.983 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -9.79 58.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 1.5800000000000001 109.493 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 26.64 5.61 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.697 -1.361 . . . . 1.54 109.697 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.6 38.85 0.76 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.165 -1.197 . . . . 4.5499999999999998 109.469 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.05 153.69 3.02 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.28 -0.887 . . . . 5.71 109.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.26 132.22 50.96 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 C-N-CA 121.034 1.156 . . . . 6.0899999999999999 109.861 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 CA-C-O 117.966 -1.463 . . . . 7.2400000000000002 109.531 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.492 -0.558 . . . . 7.6699999999999999 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.26 63.4 2.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.305 -0.872 . . . . 7.46 109.661 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' B' ' 323' ' ' LEU . 78.1 mttt 54.37 68.52 2.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.33 -0.856 . . . . 6.79 109.758 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.42 15.01 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.525 1.483 . . . . 5.1500000000000004 110.409 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.544 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.0 mt -79.83 109.38 14.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.957 -1.09 . . . . 4.6600000000000001 109.464 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -81.44 -157.36 0.17 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.382 -0.824 . . . . 2.4700000000000002 109.794 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.33 -178.17 18.96 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.898 -1.281 . . . . 1.0600000000000001 109.898 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -59.86 136.61 58.06 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.46 -1.023 . . . . 1.6100000000000001 109.815 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -95.99 157.93 15.67 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.212 -0.93 . . . . 0.96999999999999997 109.703 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.27 139.15 33.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.362 -0.836 . . . . 0.59999999999999998 109.045 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -95.87 160.58 14.4 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.879 . . . . 1.1000000000000001 109.194 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.4 tp -148.3 135.86 20.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 1.1000000000000001 110.025 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.63 130.4 34.58 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.806 -0.813 . . . . 1.3600000000000001 108.806 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.8 mt -123.88 114.32 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 CA-C-O 121.539 0.685 . . . . 1.1699999999999999 109.448 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.27 146.3 39.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.561 -0.712 . . . . 2.79 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.58 6.9 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.579 -1.009 . . . . 0.47999999999999998 110.579 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' B' ' 339' ' ' GLU . 27.6 ttm180 -85.12 -45.81 11.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 3.2200000000000002 109.339 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.89 -42.59 80.11 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.088 -1.008 . . . . 2.21 109.236 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.09 -39.09 93.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.45 -0.781 . . . . 3.5499999999999998 109.892 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.45 -59.39 4.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.801 . . . . 0.52000000000000002 110.371 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' B' ' 335' ' ' ARG . 4.9 mp0 -51.53 -34.91 38.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.112 -0.992 . . . . 1.6799999999999999 109.965 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.52 -52.56 57.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.246 -0.908 . . . . 1.1499999999999999 110.211 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.46 -45.2 95.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.134 -0.979 . . . . 0.33000000000000002 109.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.03 -43.91 60.98 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.393 -0.817 . . . . 3.02 109.547 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -60.49 -48.26 82.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 1.75 109.96 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.51 -41.53 97.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.95 . . . . 1.0700000000000001 109.311 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -51.07 71.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 1.21 109.424 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.05 -36.82 84.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 1.6899999999999999 109.712 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.05 79.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 1.0600000000000001 109.876 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.83 -47.99 82.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 1.0800000000000001 109.51 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.81 72.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.229 -0.92 . . . . 1.9299999999999999 109.602 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.04 -50.44 68.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 1.1399999999999999 109.339 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.34 80.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.441 -0.787 . . . . 2.1899999999999999 109.097 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.8 -35.11 72.31 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.771 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -48.02 68.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 1.3100000000000001 109.903 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.4 ' OE1' ' OE1' ' A' ' 354' ' ' GLN . 22.6 mt-30 -81.69 -2.92 52.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 1.3999999999999999 109.983 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.29 -9.84 58.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.131 -0.981 . . . . 1.5700000000000001 109.405 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 26.65 5.59 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.697 -1.361 . . . . 1.53 109.697 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.57 38.76 0.76 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -1.185 . . . . 4.5800000000000001 109.456 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.98 153.71 2.92 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 5.6799999999999997 108.989 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.32 132.26 51.19 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.014 1.142 . . . . 6.0499999999999998 109.809 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.992 -1.449 . . . . 7.2000000000000002 109.52 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 83.2 mttt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.493 -0.558 . . . . 9.2200000000000006 109.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp 52.42 63.39 2.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 8.5099999999999998 109.591 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' C' ' 323' ' ' LEU . 78.1 mttt 54.3 68.48 2.69 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.309 -0.869 . . . . 7.4199999999999999 109.806 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.38 14.92 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.593 1.529 . . . . 5.0499999999999998 110.346 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.0 mt -79.71 109.47 14.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.004 -1.06 . . . . 5.1399999999999997 109.473 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -81.51 -157.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 2.8500000000000001 109.732 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.3 -178.12 18.7 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.825 -1.31 . . . . 1.27 109.825 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.87 136.49 58.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.4 -1.059 . . . . 2.1099999999999999 109.811 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.98 157.96 15.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.181 -0.949 . . . . 1.01 109.607 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.25 139.29 33.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 109.086 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -95.93 160.7 14.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.268 -0.895 . . . . 1.1599999999999999 109.189 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.4 135.78 20.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 1.1699999999999999 110.061 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.65 130.4 34.58 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.799 -0.815 . . . . 1.8100000000000001 108.799 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.9 114.21 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.516 -0.74 . . . . 1.1299999999999999 109.416 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.2 146.27 39.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.699 . . . . 2.8199999999999998 110.094 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 140.62 6.94 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.561 -1.015 . . . . 0.45000000000000001 110.561 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' C' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.74 11.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.46 -1.024 . . . . 3.0800000000000001 109.352 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.59 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 2.54 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.16 -39.05 93.54 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.473 -0.767 . . . . 4.1100000000000003 109.836 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -54.37 -59.53 4.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.56999999999999995 110.334 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.417 ' OE2' ' O ' ' C' ' 335' ' ' ARG . 4.9 mp0 -51.48 -34.92 37.73 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.209 -0.932 . . . . 1.6599999999999999 109.99 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.49 -52.54 57.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.253 -0.904 . . . . 1.29 110.224 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -45.18 95.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.003 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -50.99 -43.91 60.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.854 . . . . 3.8500000000000001 109.606 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.52 -48.19 82.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 1.78 109.976 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.56 -41.56 97.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 1.1699999999999999 109.311 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -50.92 72.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 1.2 109.512 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -63.2 -36.88 85.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 2.1200000000000001 109.669 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.99 79.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.223 -0.923 . . . . 1.0700000000000001 109.929 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -47.99 82.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -0.983 . . . . 1.1399999999999999 109.491 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.23 -34.79 72.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.915 . . . . 2.0899999999999999 109.572 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.02 -50.37 68.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.322 -0.861 . . . . 1.3799999999999999 109.391 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.29 80.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.337 -0.852 . . . . 2.6800000000000002 109.142 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.81 -35.22 72.51 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.524 -0.735 . . . . 1.3400000000000001 109.728 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.06 68.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.3 109.867 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.429 ' OE1' ' OE1' ' D' ' 354' ' ' GLN . 22.7 mt-30 -81.67 -2.81 51.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 1.8 109.972 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.37 -9.81 58.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 1.47 109.454 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 26.7 5.57 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.698 -1.361 . . . . 1.6599999999999999 109.698 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -85.7 38.9 0.77 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -1.193 . . . . 4.7800000000000002 109.391 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.07 153.71 3.04 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 6.1900000000000004 108.961 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.28 132.21 50.9 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.108 1.205 . . . . 6.1799999999999997 109.823 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.542 -1.423 . . . . 6.9000000000000004 109.542 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.442 -0.577 . . . . 7.6900000000000004 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.32 63.44 2.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 7.4500000000000002 109.645 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' D' ' 323' ' ' LEU . 78.1 mttt 54.32 68.59 2.61 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 6.8399999999999999 109.699 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -66.56 15.07 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.624 1.549 . . . . 5.1200000000000001 110.355 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' D' ' 321' ' ' LYS . 16.9 mt -79.84 109.44 14.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.93 -1.106 . . . . 4.6600000000000001 109.484 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -81.42 -157.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.847 . . . . 2.46 109.781 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.27 -178.22 18.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.843 -1.303 . . . . 1.0800000000000001 109.843 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -59.77 136.45 58.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -1.101 . . . . 1.6699999999999999 109.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -95.95 157.97 15.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.311 -0.868 . . . . 1.01 109.64 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.2 139.36 33.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.365 -0.835 . . . . 0.63 109.06 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 63.7 p -95.99 160.73 14.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.175 -0.953 . . . . 1.1299999999999999 109.179 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.3 tp -148.47 135.78 20.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.129 -0.982 . . . . 1.1000000000000001 110.034 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.64 130.45 34.57 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.783 -0.821 . . . . 1.3700000000000001 108.783 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.92 114.26 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.494 -0.754 . . . . 1.1499999999999999 109.412 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.19 146.25 39.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.511 -0.743 . . . . 2.77 110.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.58 6.93 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.57 -1.012 . . . . 0.42999999999999999 110.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.41 ' O ' ' OE2' ' D' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.8 11.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -1.065 . . . . 3.1200000000000001 109.3 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.87 -42.67 80.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 2.2200000000000002 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -62.96 -39.28 94.19 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.434 -0.791 . . . . 3.5 109.831 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -54.3 -59.45 4.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.429 -0.794 . . . . 0.5 110.377 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' D' ' 335' ' ' ARG . 4.9 mp0 -51.49 -34.9 37.84 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.126 -0.983 . . . . 1.6899999999999999 110.02 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.51 -52.6 56.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.11 -0.994 . . . . 1.1399999999999999 110.168 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -45.09 95.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.001 -1.062 . . . . 0.32000000000000001 109.024 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.13 -43.87 61.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.894 . . . . 2.96 109.547 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -60.54 -48.23 82.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 1.75 109.96 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.5 -41.58 97.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.18 -0.95 . . . . 1.0800000000000001 109.31 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.58 -50.97 71.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 1.22 109.544 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.15 -36.89 85.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.73 109.689 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.98 79.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 1.0700000000000001 109.968 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.97 -47.89 82.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 1.1100000000000001 109.506 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.22 -34.8 72.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.9099999999999999 109.612 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.8 tp -64.07 -50.35 68.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 109.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.1 -47.43 80.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.279 -0.888 . . . . 2.1499999999999999 109.118 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.74 -35.17 72.29 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.507 -0.745 . . . . 1.4399999999999999 109.762 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.04 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 1.3 109.935 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.429 ' OE1' ' OE1' ' C' ' 354' ' ' GLN . 22.7 mt-30 -81.7 -2.87 52.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.918 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.36 -9.8 58.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 1.6000000000000001 109.374 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 26.69 5.58 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.675 -1.37 . . . . 1.5 109.675 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.69 38.93 0.77 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.243 -1.151 . . . . 4.5499999999999998 109.411 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.11 153.72 3.08 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.88 . . . . 5.6699999999999999 109.0 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.37 132.26 51.17 Favored 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 121.008 1.139 . . . . 6.1200000000000001 109.841 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.964 -1.465 . . . . 7.2699999999999996 109.556 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 320' ' ' LYS . 66.8 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.251 -0.648 . . . . 7.6600000000000001 109.251 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 319' ' ' LYS . 68.9 mttt 58.39 154.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 7.5099999999999998 109.611 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm 51.56 69.94 2.23 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.018 -1.051 . . . . 6.8099999999999996 109.326 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -71.33 46.23 0.72 Allowed 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 121.977 1.785 . . . . 5.1500000000000004 111.32 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 99.4 mt -80.21 102.5 9.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.483 -1.385 . . . . 4.7000000000000002 109.198 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.703 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 49.5 m-20 -83.09 -146.14 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 2.48 109.645 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 172.37 37.1 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.063 -1.215 . . . . 1.0800000000000001 110.063 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -59.22 134.88 57.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -1.086 . . . . 1.7 109.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.703 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 47.9 m-85 -96.05 152.63 18.35 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 1.04 109.153 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -135.35 -172.72 3.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.275 -0.89 . . . . 0.65000000000000002 109.278 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.56 145.55 25.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.218 -0.926 . . . . 1.1399999999999999 108.952 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.2 tp -139.54 134.85 32.77 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.436 -0.79 . . . . 1.0900000000000001 109.77 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -86.36 132.75 33.89 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.882 -0.785 . . . . 1.3700000000000001 108.882 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.83 115.03 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.459 -0.775 . . . . 1.1499999999999999 109.344 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -75.09 152.44 38.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 2.79 110.024 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 144.19 5.27 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.395 -1.082 . . . . 0.45000000000000001 110.395 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -82.89 -47.81 11.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.507 -0.996 . . . . 3.1600000000000001 109.256 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.91 -41.24 77.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 108.537 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.545 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -47.22 82.66 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.331 -0.856 . . . . 3.54 109.463 179.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -56.0 -57.99 9.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.48 -0.763 . . . . 0.5 109.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -51.06 -38.71 53.24 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.459 -0.776 . . . . 1.6599999999999999 109.923 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.2 -53.63 46.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.128 -0.983 . . . . 1.1499999999999999 110.208 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.32 -45.33 94.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.06 -1.025 . . . . 0.34000000000000002 109.207 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.08 -41.91 60.26 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.366 -0.834 . . . . 2.9399999999999999 109.369 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.02 -54.83 41.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 1.74 109.921 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.96 -39.47 81.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 108.728 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.42 -53.8 53.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.37 -0.831 . . . . 1.22 109.428 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.99 -35.81 81.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 1.72 110.018 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.5 76.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 1.0700000000000001 109.881 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.07 -47.94 82.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 1.0800000000000001 109.378 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.27 -32.25 68.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 108.748 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 tt -64.35 -52.44 58.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.392 -0.817 . . . . 1.1499999999999999 108.824 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -60.34 -39.69 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.716 -0.846 . . . . 2.1400000000000001 108.716 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.36 -37.79 73.15 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.672 -0.642 . . . . 1.4299999999999999 109.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.06 85.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.213 -0.929 . . . . 1.3 109.649 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.05 1.6 30.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 1.4199999999999999 109.586 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.7 -81.77 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.16 -0.963 . . . . 1.5800000000000001 109.25 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.34 97.0 1.15 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.555 -1.418 . . . . 1.54 109.555 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -88.32 144.67 26.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.199 -1.177 . . . . 4.5499999999999998 109.577 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -50.9 149.58 6.17 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 5.71 109.055 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.97 -81.01 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.705 0 C-N-CA 120.95 1.1 . . . . 6.0899999999999999 109.828 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.454 -1.459 . . . . 7.2400000000000002 109.454 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 320' ' ' LYS . 66.8 mttm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.237 -0.653 . . . . 7.6699999999999999 109.237 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 319' ' ' LYS . 68.5 mttt 58.58 154.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.407 -0.808 . . . . 7.46 109.52 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm 51.58 69.69 2.37 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.027 -1.046 . . . . 6.79 109.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -71.1 45.57 0.62 Allowed 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 121.987 1.792 . . . . 5.1500000000000004 111.345 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 98.0 mt -79.63 102.84 9.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.545 -1.347 . . . . 4.6600000000000001 109.214 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.701 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 47.3 m-20 -82.66 -145.73 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.426 -0.796 . . . . 2.4700000000000002 109.64 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.47 173.64 36.47 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.032 -1.227 . . . . 1.0600000000000001 110.032 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.87 134.69 57.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.457 -1.025 . . . . 1.6100000000000001 109.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.701 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 48.8 m-85 -96.18 152.44 18.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.96999999999999997 109.155 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -135.22 -172.63 3.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.258 -0.901 . . . . 0.59999999999999998 109.307 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -151.6 145.42 25.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.333 -0.854 . . . . 1.1000000000000001 108.893 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -139.55 134.83 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.471 -0.768 . . . . 1.1000000000000001 109.713 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.38 132.76 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.921 -0.77 . . . . 1.3600000000000001 108.921 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.87 115.03 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.511 -0.743 . . . . 1.1699999999999999 109.278 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.93 152.52 38.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 2.79 109.949 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.99 143.89 5.19 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.374 -1.09 . . . . 0.47999999999999998 110.374 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -82.67 -47.67 11.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.54 -0.976 . . . . 3.2200000000000002 109.22 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.96 -41.57 78.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 2.21 108.521 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.538 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -47.58 80.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.311 -0.868 . . . . 3.5499999999999998 109.504 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -55.52 -57.85 10.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.519 -0.738 . . . . 0.52000000000000002 109.5 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.27 -39.03 55.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.468 -0.77 . . . . 1.6799999999999999 109.886 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -63.62 -53.57 49.49 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 110.123 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.69 -45.39 94.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.092 -1.005 . . . . 0.33000000000000002 109.145 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.23 -41.39 60.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.339 -0.851 . . . . 3.02 109.289 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.28 -55.11 37.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.936 . . . . 1.75 109.897 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.86 -39.4 81.23 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 1.0700000000000001 108.739 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.16 -53.87 53.39 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.35 -0.843 . . . . 1.21 109.429 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.98 -36.06 82.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.6899999999999999 110.081 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.23 77.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.925 . . . . 1.0600000000000001 109.862 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.07 -47.88 82.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 1.0800000000000001 109.433 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -58.5 -32.48 68.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 1.9299999999999999 108.737 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.04 -52.05 61.25 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.735 -0.839 . . . . 1.1399999999999999 108.735 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -60.83 -39.86 90.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.323 -0.861 . . . . 2.1899999999999999 108.765 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -57.15 -38.12 73.05 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.609 -0.682 . . . . 1.4299999999999999 109.81 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.23 87.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.3100000000000001 109.706 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.96 1.64 30.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 1.3999999999999999 109.565 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -81.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 1.5700000000000001 109.334 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.19 96.92 1.25 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.516 -1.434 . . . . 1.53 109.516 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -88.06 145.71 25.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.226 -1.161 . . . . 4.5800000000000001 109.641 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -51.51 149.76 7.5 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.293 -0.88 . . . . 5.6799999999999997 109.014 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.84 -80.98 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.721 0 C-N-CA 120.928 1.086 . . . . 6.0499999999999998 109.753 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 109.477 -1.449 . . . . 7.2000000000000002 109.477 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 320' ' ' LYS . 66.7 mttm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.284 -0.636 . . . . 9.2200000000000006 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 319' ' ' LYS . 67.9 mttt 58.62 153.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.587 -0.696 . . . . 8.5099999999999998 109.605 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm 51.79 70.04 2.15 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 7.4199999999999999 109.399 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -71.33 45.86 0.68 Allowed 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 121.979 1.786 . . . . 5.0499999999999998 111.307 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 99.6 mt -79.57 102.7 9.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.561 -1.337 . . . . 5.1399999999999997 109.152 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.695 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 49.5 m-20 -83.17 -145.53 0.08 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 2.8500000000000001 109.711 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.3 172.7 37.6 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.069 -1.213 . . . . 1.27 110.069 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.46 134.36 56.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.441 -1.034 . . . . 2.1099999999999999 109.836 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.695 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 48.7 m-85 -95.88 152.24 18.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.422 -0.799 . . . . 1.01 109.195 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.92 -172.15 2.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.275 -0.89 . . . . 0.57999999999999996 109.29 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -151.89 145.65 25.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 1.1599999999999999 108.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.4 tp -139.89 134.66 31.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.405 -0.809 . . . . 1.1699999999999999 109.692 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.59 33.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.02 -0.734 . . . . 1.8100000000000001 109.02 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.74 115.41 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 1.1299999999999999 109.299 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -75.23 153.06 38.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.448 -0.782 . . . . 2.8199999999999998 110.101 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.08 143.42 4.37 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.402 -1.079 . . . . 0.45000000000000001 110.402 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -82.08 -47.72 12.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.501 -0.999 . . . . 3.0800000000000001 109.223 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -56.79 -41.41 77.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.161 -0.962 . . . . 2.54 108.62 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.547 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.47 -47.82 80.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.359 -0.838 . . . . 4.1100000000000003 109.451 179.473 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -55.39 -57.72 10.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.549 -0.719 . . . . 0.56999999999999995 109.598 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.31 -38.94 55.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.86 -53.23 53.85 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.095 -1.003 . . . . 1.29 110.224 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.87 -45.03 95.53 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.107 -0.995 . . . . 0.40000000000000002 109.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.5 -41.21 60.81 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.306 -0.872 . . . . 3.8500000000000001 109.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.39 -55.04 38.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 1.78 109.947 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.0 -39.3 81.41 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.786 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.32 -53.59 56.46 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.412 -0.805 . . . . 1.2 109.428 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.25 -36.12 82.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 2.1200000000000001 110.023 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.34 77.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.195 -0.941 . . . . 1.0700000000000001 109.871 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.88 -47.66 83.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.149 -0.969 . . . . 1.1399999999999999 109.453 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -32.45 69.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.726 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.12 -51.95 61.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.74 -0.837 . . . . 1.3799999999999999 108.74 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.95 -39.68 90.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.324 -0.86 . . . . 2.6800000000000002 108.777 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.21 -37.96 73.0 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.566 -0.709 . . . . 1.3400000000000001 109.845 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.02 85.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.905 . . . . 1.3 109.735 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -81.01 1.69 30.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.297 -0.877 . . . . 1.8 109.641 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -81.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 1.47 109.209 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.76 97.57 1.24 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.585 -1.406 . . . . 1.6599999999999999 109.585 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -88.16 145.35 25.96 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -1.138 . . . . 4.7800000000000002 109.594 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -51.18 149.83 6.54 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 6.1900000000000004 108.974 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.77 -81.07 0.01 OUTLIER 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 120.931 1.087 . . . . 6.1799999999999997 109.841 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.978 -1.456 . . . . 6.9000000000000004 109.5 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 320' ' ' LYS . 66.7 mttm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.233 -0.655 . . . . 7.6900000000000004 109.233 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 319' ' ' LYS . 68.7 mttt 58.35 154.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.439 -0.788 . . . . 7.4500000000000002 109.541 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm 50.94 70.39 2.03 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.985 . . . . 6.8399999999999999 109.495 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -71.37 45.74 0.68 Allowed 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 122.019 1.812 . . . . 5.1200000000000001 111.307 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.94 102.68 9.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.433 -1.417 . . . . 4.6600000000000001 109.268 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.711 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 46.1 m-20 -82.94 -146.34 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.276 -0.89 . . . . 2.46 109.661 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 173.05 34.97 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.084 -1.206 . . . . 1.0800000000000001 110.084 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.57 134.79 57.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -1.054 . . . . 1.6699999999999999 109.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.711 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 48.3 m-85 -96.23 152.11 18.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.334 -0.854 . . . . 1.01 109.104 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -135.02 -172.6 3.09 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.304 -0.872 . . . . 0.63 109.241 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.69 145.49 25.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.3 -0.875 . . . . 1.1299999999999999 108.853 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.5 tp -139.37 134.73 32.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.436 -0.79 . . . . 1.1000000000000001 109.77 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.44 132.6 33.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.872 -0.788 . . . . 1.3700000000000001 108.872 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.83 115.48 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.562 -0.712 . . . . 1.1499999999999999 109.324 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -75.4 152.63 38.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 2.77 109.993 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.81 143.87 5.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.391 -1.084 . . . . 0.42999999999999999 110.391 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -82.73 -47.59 11.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.996 . . . . 3.1200000000000001 109.213 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.89 -41.67 78.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.485 -0.931 . . . . 2.2200000000000002 108.485 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.549 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -47.49 81.32 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.374 -0.829 . . . . 3.5 109.546 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.6 -57.64 11.11 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.586 -0.696 . . . . 0.5 109.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -51.41 -38.99 56.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 109.925 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -63.87 -53.08 56.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 1.1399999999999999 110.164 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.977 . . . . 0.32000000000000001 109.206 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.38 -41.4 60.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.218 -0.927 . . . . 2.96 109.375 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.24 -54.65 43.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 1.75 109.944 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.23 -39.42 82.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 1.0800000000000001 108.796 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.28 -53.97 52.14 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.461 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.94 -35.96 81.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 1.73 109.988 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.45 76.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.853 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.08 -47.81 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.143 -0.973 . . . . 1.1100000000000001 109.402 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.52 -32.43 68.83 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 108.801 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 tt -64.07 -52.14 60.72 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.755 -0.831 . . . . 1.1699999999999999 108.755 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.74 -39.72 89.7 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.69 -0.856 . . . . 2.1499999999999999 108.69 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -57.32 -37.62 72.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.807 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.21 85.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 1.3 109.715 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.87 1.41 30.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.371 -0.831 . . . . 1.3999999999999999 109.64 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -81.29 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.161 -0.962 . . . . 1.6000000000000001 109.286 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.52 96.81 1.16 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.573 -1.411 . . . . 1.5 109.573 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -88.16 144.61 26.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.276 -1.132 . . . . 4.5499999999999998 109.486 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -50.49 150.24 4.94 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 5.6699999999999999 109.133 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -81.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.718 0 C-N-CA 120.886 1.057 . . . . 6.1200000000000001 109.76 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 7.2699999999999996 109.528 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.558 ' C ' ' H ' ' A' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.425 -0.583 . . . . 7.6600000000000001 109.425 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.94 -27.53 0.16 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 7.5099999999999998 109.803 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 319' ' ' LYS . 60.6 mttp 52.92 72.01 1.28 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.096 -1.003 . . . . 6.8099999999999996 109.667 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 324' ' ' ASP . 5.2 Cg_endo -69.9 62.03 1.83 Allowed 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.792 1.661 . . . . 5.1500000000000004 110.076 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.78 30.76 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.826 -1.171 . . . . 4.7000000000000002 109.325 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 322' ' ' PRO . 62.3 m-20 -77.5 -158.73 0.12 Allowed 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.147 -0.621 . . . . 2.48 109.707 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.47 160.54 51.34 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.781 -1.328 . . . . 1.0800000000000001 109.781 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -58.91 141.47 53.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -1.122 . . . . 1.7 109.402 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 151.98 18.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.245 -0.909 . . . . 1.04 110.015 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.62 -168.54 2.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.443 -0.786 . . . . 0.65000000000000002 108.985 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.8 p -153.24 142.53 21.56 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.185 -0.947 . . . . 1.1399999999999999 109.247 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.12 137.0 40.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.557 -0.715 . . . . 1.0900000000000001 109.716 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.29 33.85 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.9 mt -123.45 113.56 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.352 -0.842 . . . . 1.1499999999999999 109.304 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.63 149.99 39.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.541 -0.724 . . . . 2.79 109.998 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.33 138.96 6.41 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.959 -1.256 . . . . 0.45000000000000001 109.959 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.92 -50.89 11.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -1.151 . . . . 3.1600000000000001 109.339 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.88 -38.81 76.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.159 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.536 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.5 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.393 -0.817 . . . . 3.54 109.311 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.3 -56.6 18.14 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.684 -0.635 . . . . 0.5 109.823 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 110.08 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.82 -51.3 65.34 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.2 -0.938 . . . . 1.1499999999999999 110.576 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.46 80.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.0 -1.062 . . . . 0.34000000000000002 109.566 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.45 -39.04 46.62 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.069 -1.019 . . . . 2.9399999999999999 109.371 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.58 -46.77 88.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.148 -0.97 . . . . 1.74 109.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.85 -49.16 77.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.215 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.28 -47.3 84.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.201 -0.937 . . . . 1.22 109.432 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.69 -38.45 87.87 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.327 -0.858 . . . . 1.72 109.444 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.27 -50.16 75.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.35 -0.844 . . . . 1.0700000000000001 109.577 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.25 -43.07 99.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 1.0800000000000001 109.369 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.83 -37.01 75.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 1.9099999999999999 109.256 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.63 -48.35 77.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 1.1499999999999999 109.181 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.48 -47.83 80.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 2.1400000000000001 109.029 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.57 -34.23 68.99 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.587 -0.696 . . . . 1.4299999999999999 109.482 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.98 83.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.858 . . . . 1.3 109.84 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.547 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 65.0 mt-30 -81.3 -3.54 52.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 1.4199999999999999 109.616 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.32 -13.71 61.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.193 -0.942 . . . . 1.5800000000000001 109.361 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 25.89 6.28 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.439 -1.464 . . . . 1.54 109.439 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -85.39 -83.33 0.17 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -1.128 . . . . 4.5499999999999998 109.8 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 360' ' ' GLY . 2.2 mp0 -49.74 154.08 1.87 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.344 -0.848 . . . . 5.71 109.061 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.15 5.15 0.11 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 121.16 1.24 . . . . 6.0899999999999999 110.444 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.493 2.434 0 CA-C-O 118.027 -1.43 . . . . 7.2400000000000002 109.559 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' B' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.463 -0.569 . . . . 7.6699999999999999 109.463 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.82 -27.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.369 -0.832 . . . . 7.46 109.82 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.561 ' H ' ' C ' ' B' ' 319' ' ' LYS . 60.5 mttp 53.04 71.92 1.3 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.109 -0.994 . . . . 6.79 109.644 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' B' ' 324' ' ' ASP . 5.1 Cg_endo -69.89 62.1 1.83 Allowed 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 121.849 1.699 . . . . 5.1500000000000004 110.089 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.75 30.59 0.43 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.794 -1.191 . . . . 4.6600000000000001 109.25 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' B' ' 322' ' ' PRO . 62.5 m-20 -77.53 -158.92 0.13 Allowed 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.598 -0.689 . . . . 2.4700000000000002 109.721 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 160.5 50.94 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.777 -1.329 . . . . 1.0600000000000001 109.777 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.86 141.51 53.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.349 -1.089 . . . . 1.6100000000000001 109.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.9 151.87 18.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.305 -0.872 . . . . 0.96999999999999997 110.026 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.54 -168.56 2.12 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.453 -0.779 . . . . 0.59999999999999998 108.955 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.9 p -153.26 142.56 21.56 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.104 -0.997 . . . . 1.1000000000000001 109.153 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.9 tp -136.16 136.96 40.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.589 -0.694 . . . . 1.1000000000000001 109.715 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.84 132.28 33.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.882 -0.785 . . . . 1.3600000000000001 108.882 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.0 mt -123.48 113.55 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.517 -0.74 . . . . 1.1699999999999999 109.295 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 150.06 39.71 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.643 -0.661 . . . . 2.79 109.995 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.31 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.011 -1.235 . . . . 0.47999999999999998 110.011 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -78.02 -50.87 11.27 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -1.134 . . . . 3.2200000000000002 109.287 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.94 -38.83 76.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 2.21 109.136 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.535 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -45.9 83.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 3.5499999999999998 109.394 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.35 -56.61 18.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.653 -0.655 . . . . 0.52000000000000002 109.804 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -51.55 -40.16 59.17 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.388 -0.82 . . . . 1.6799999999999999 110.159 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.83 -51.24 65.61 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.642 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.96 -48.47 80.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.044 -1.035 . . . . 0.33000000000000002 109.582 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.46 -39.06 46.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.087 -1.008 . . . . 3.02 109.419 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -61.55 -46.81 88.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.971 . . . . 1.75 109.56 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.82 -49.14 77.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.289 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.23 -47.36 83.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 1.21 109.425 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.57 -38.7 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.437 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.07 -50.07 75.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.326 -0.859 . . . . 1.0600000000000001 109.71 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.33 -43.0 99.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.328 -0.857 . . . . 1.0800000000000001 109.363 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.91 -36.98 75.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.208 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.7 -48.21 78.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.37 -0.831 . . . . 1.1399999999999999 109.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.59 -47.7 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 2.1899999999999999 109.02 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.78 -34.15 69.3 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.467 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.96 83.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 1.3100000000000001 109.895 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.547 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 65.0 mt-30 -81.25 -3.6 52.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 1.3999999999999999 109.674 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -13.82 62.04 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.134 -0.979 . . . . 1.5700000000000001 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 25.86 6.27 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.345 -1.502 . . . . 1.53 109.345 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -85.44 -83.4 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -1.191 . . . . 4.5800000000000001 109.727 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' B' ' 360' ' ' GLY . 2.2 mp0 -49.63 154.18 1.77 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.869 . . . . 5.6799999999999997 109.013 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.24 5.11 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 121.147 1.232 . . . . 6.0499999999999998 110.465 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.042 -1.421 . . . . 7.2000000000000002 109.596 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' C' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.373 -0.603 . . . . 9.2200000000000006 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.9 -27.66 0.16 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.384 -0.822 . . . . 8.5099999999999998 109.827 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' C' ' 319' ' ' LYS . 60.5 mttp 53.02 71.9 1.31 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.094 -1.004 . . . . 7.4199999999999999 109.677 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' C' ' 324' ' ' ASP . 5.1 Cg_endo -69.86 62.1 1.81 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 121.766 1.644 . . . . 5.0499999999999998 110.07 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.76 30.67 0.43 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.842 -1.161 . . . . 5.1399999999999997 109.264 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' C' ' 322' ' ' PRO . 62.2 m-20 -77.47 -158.79 0.12 Allowed 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.55 -0.719 . . . . 2.8500000000000001 109.71 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 160.46 51.25 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.776 -1.33 . . . . 1.27 109.776 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -58.75 141.47 52.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.276 -1.132 . . . . 2.1099999999999999 109.427 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -94.87 152.02 18.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.174 -0.954 . . . . 1.01 110.032 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.72 -168.54 2.13 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.967 -0.753 . . . . 0.57999999999999996 108.967 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.1 p -153.29 142.21 21.19 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.165 -0.959 . . . . 1.1599999999999999 109.247 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -135.91 137.04 40.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.566 -0.709 . . . . 1.1699999999999999 109.709 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.88 132.31 33.85 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.833 -0.803 . . . . 1.8100000000000001 108.833 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.53 113.56 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.419 -0.8 . . . . 1.1299999999999999 109.176 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.67 150.06 39.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.647 -0.658 . . . . 2.8199999999999998 109.957 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.35 138.89 6.4 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.068 -1.213 . . . . 0.45000000000000001 110.068 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.9 -50.97 11.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -1.105 . . . . 3.0800000000000001 109.246 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.9 -38.76 76.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 2.54 109.087 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.539 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -45.93 83.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.374 -0.829 . . . . 4.1100000000000003 109.364 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.34 -56.63 17.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.647 -0.658 . . . . 0.56999999999999995 109.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 110.128 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.88 -51.24 65.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.189 -0.944 . . . . 1.29 110.612 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.0 -48.32 80.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.657 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.53 -39.05 47.89 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.088 -1.007 . . . . 3.8500000000000001 109.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.63 -46.74 88.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 1.78 109.489 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.9 -49.08 77.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.271 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.25 -47.36 83.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.264 -0.897 . . . . 1.2 109.431 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.63 -38.6 88.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.334 -0.854 . . . . 2.1200000000000001 109.405 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.29 74.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.0700000000000001 109.601 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.22 -43.02 99.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 1.1399999999999999 109.422 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.87 -36.91 75.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.279 -0.888 . . . . 2.0899999999999999 109.291 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.77 -48.32 77.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.384 -0.822 . . . . 1.3799999999999999 109.165 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.47 -47.81 80.26 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 2.6800000000000002 108.963 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.63 -34.35 69.22 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.587 -0.695 . . . . 1.3400000000000001 109.393 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.02 83.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 1.3 109.829 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.61 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 65.1 mt-30 -81.25 -3.61 52.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.184 -0.947 . . . . 1.8 109.676 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.35 -13.69 61.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.125 -0.985 . . . . 1.47 109.331 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 25.82 6.24 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.435 -1.466 . . . . 1.6599999999999999 109.435 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -85.43 -83.43 0.17 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -1.152 . . . . 4.7800000000000002 109.649 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' C' ' 360' ' ' GLY . 2.2 mp0 -49.64 154.15 1.78 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.245 -0.909 . . . . 6.1900000000000004 109.086 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.25 5.22 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 121.138 1.225 . . . . 6.1799999999999997 110.513 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.544 -1.422 . . . . 6.9000000000000004 109.544 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.555 ' C ' ' H ' ' D' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.454 -0.573 . . . . 7.6900000000000004 109.454 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 22.5 tptt 69.86 -27.57 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.395 -0.816 . . . . 7.4500000000000002 109.803 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.555 ' H ' ' C ' ' D' ' 319' ' ' LYS . 60.5 mttp 52.99 71.93 1.3 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.962 . . . . 6.8399999999999999 109.647 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' D' ' 324' ' ' ASP . 5.0 Cg_endo -69.85 62.08 1.81 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.817 1.678 . . . . 5.1200000000000001 109.982 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.8 30.77 0.43 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 4.6600000000000001 109.345 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' D' ' 322' ' ' PRO . 62.4 m-20 -77.53 -158.81 0.12 Allowed 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.648 -0.657 . . . . 2.46 109.703 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 160.51 51.31 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.737 -1.345 . . . . 1.0800000000000001 109.737 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -58.77 141.46 52.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.283 -1.127 . . . . 1.6699999999999999 109.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 152.01 18.75 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.264 -0.897 . . . . 1.01 109.984 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.75 -168.57 2.14 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.901 -0.777 . . . . 0.63 108.901 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -153.27 142.47 21.45 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.132 -0.98 . . . . 1.1299999999999999 109.249 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.12 137.04 40.6 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -0.751 . . . . 1.1000000000000001 109.748 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.23 33.87 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.787 -0.82 . . . . 1.3700000000000001 108.787 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.43 113.63 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.451 -0.781 . . . . 1.1499999999999999 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.68 150.04 39.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.606 -0.684 . . . . 2.77 109.965 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.3 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.034 -1.227 . . . . 0.42999999999999999 110.034 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.94 -50.9 11.27 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 109.3 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.83 -38.84 76.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.125 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.537 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.353 -0.842 . . . . 3.5 109.33 179.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.34 -56.6 18.21 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.716 -0.615 . . . . 0.5 109.819 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -51.53 -40.16 59.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.363 -0.835 . . . . 1.6899999999999999 110.137 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -51.21 65.53 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.136 -0.978 . . . . 1.1399999999999999 110.575 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.51 80.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.157 -0.964 . . . . 0.32000000000000001 109.553 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.48 -39.0 46.94 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.13 -0.981 . . . . 2.96 109.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.66 -46.71 88.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.75 109.516 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.93 -49.08 77.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.263 -0.898 . . . . 1.0800000000000001 109.187 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -58.28 -47.36 83.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 1.22 109.378 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.58 -38.71 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.338 -0.851 . . . . 1.73 109.364 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.08 -50.17 75.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0700000000000001 109.602 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.3 -43.0 99.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 1.1100000000000001 109.4 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.81 -36.97 75.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.9099999999999999 109.266 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.72 -48.31 77.57 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.1699999999999999 109.208 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.5 -47.68 80.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.331 -0.855 . . . . 2.1499999999999999 108.999 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.77 -34.23 69.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.433 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.85 82.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 1.3 109.884 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.61 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 64.7 mt-30 -81.37 -3.52 52.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.231 -0.918 . . . . 1.3999999999999999 109.624 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.28 -13.77 62.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.983 . . . . 1.6000000000000001 109.359 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 25.85 6.27 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.418 -1.473 . . . . 1.5 109.418 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -85.46 -83.35 0.17 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.133 -1.216 . . . . 4.5499999999999998 109.722 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.555 ' C ' ' H ' ' D' ' 360' ' ' GLY . 2.2 mp0 -49.67 154.1 1.82 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 5.6699999999999999 109.107 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.22 5.18 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.164 1.243 . . . . 6.1200000000000001 110.445 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 118.023 -1.431 . . . . 7.2699999999999996 109.621 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.432 -0.581 . . . . 7.6600000000000001 109.432 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 45.7 tttp 61.3 -76.41 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.531 -0.731 . . . . 7.5099999999999998 109.215 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 319' ' ' LYS . 66.6 mttt 57.3 70.8 1.24 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 6.8099999999999996 109.712 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.35 -81.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.084 0 C-N-CA 121.568 1.512 . . . . 5.1500000000000004 109.548 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.62 101.22 7.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.077 -1.015 . . . . 4.7000000000000002 109.368 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -83.3 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.428 -0.795 . . . . 2.48 109.72 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 160.74 52.87 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.747 -1.341 . . . . 1.0800000000000001 109.747 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.62 130.09 45.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.118 . . . . 1.7 109.565 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.52 158.98 15.44 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.254 -0.904 . . . . 1.04 109.258 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.41 -173.64 3.66 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 0.65000000000000002 109.46 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -151.67 115.49 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.1399999999999999 108.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -101.18 136.65 40.69 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.504 -0.748 . . . . 1.0900000000000001 109.703 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -86.0 128.58 34.88 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.51 -0.922 . . . . 1.3700000000000001 108.51 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.16 115.91 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.739 0.781 . . . . 1.1499999999999999 109.723 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -75.23 147.6 40.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.196 -0.668 . . . . 2.79 109.196 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 145.67 13.25 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 109.799 -1.32 . . . . 0.45000000000000001 109.799 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.54 -51.48 7.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -1.116 . . . . 3.1600000000000001 109.525 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.47 -37.78 73.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 2.2200000000000002 109.232 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.505 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -48.23 79.02 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 3.54 109.545 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.92 -60.15 3.76 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.668 -0.645 . . . . 0.5 109.859 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.42 -38.75 44.74 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.507 -0.746 . . . . 1.6599999999999999 110.109 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.25 -51.49 63.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.005 -1.059 . . . . 1.1499999999999999 110.122 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.15 -45.88 91.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.105 -0.997 . . . . 0.34000000000000002 109.005 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.67 -42.31 45.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.17 -0.956 . . . . 2.9399999999999999 109.157 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.25 86.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 1.74 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.44 -47.67 85.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 1.0700000000000001 109.022 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.09 -48.33 80.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 1.22 109.485 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -61.64 -37.35 83.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.72 109.761 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.57 -56.18 25.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.315 -0.865 . . . . 1.0700000000000001 110.012 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.4 -39.81 92.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.238 -0.914 . . . . 1.0800000000000001 109.408 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -61.51 -39.61 91.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.554 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.27 -49.29 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.269 -0.894 . . . . 1.1499999999999999 108.994 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -64.34 -49.57 71.15 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.651 0.738 . . . . 2.1400000000000001 109.321 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -55.7 -34.29 64.96 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 120.3 -0.56 . . . . 1.4299999999999999 109.528 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -45.69 76.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 1.3 109.589 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.45 -0.94 39.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.342 -0.849 . . . . 1.4199999999999999 109.468 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.578 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.65 -78.96 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 1.5800000000000001 109.341 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.73 6.71 0.11 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.989 -1.244 . . . . 1.54 109.989 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.578 ' H ' ' C ' ' A' ' 355' ' ' ALA . 49.8 tttm -85.25 143.94 28.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.937 -1.331 . . . . 4.5499999999999998 109.367 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.32 106.55 0.5 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.806 -0.559 . . . . 5.71 110.05 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.23 84.41 0.1 Allowed 'Trans proline' 0 C--O 1.212 -0.775 0 C-N-CA 120.766 0.977 . . . . 6.0899999999999999 109.567 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.353 -1.499 . . . . 7.2400000000000002 109.353 -179.861 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' B' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.432 -0.581 . . . . 7.6699999999999999 109.432 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 46.0 tttp 61.34 -76.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.51 -0.744 . . . . 7.46 109.167 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 319' ' ' LYS . 66.2 mttt 57.2 70.87 1.23 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.219 -0.925 . . . . 6.79 109.766 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.46 -81.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.624 1.549 . . . . 5.1500000000000004 109.615 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.51 101.08 7.18 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 4.6600000000000001 109.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -83.19 -109.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.512 -0.742 . . . . 2.4700000000000002 109.739 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 160.7 53.1 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.702 -1.359 . . . . 1.0600000000000001 109.702 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.64 130.04 44.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.329 -1.101 . . . . 1.6100000000000001 109.557 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -93.37 159.16 15.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.31 -0.869 . . . . 0.96999999999999997 109.408 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.63 -173.61 3.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.59999999999999998 109.406 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.2 p -151.72 115.46 4.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -0.775 . . . . 1.1000000000000001 108.99 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.7 tp -101.12 136.68 40.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.666 . . . . 1.1000000000000001 109.784 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -86.16 128.53 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.384 -0.969 . . . . 1.3600000000000001 108.384 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.13 115.93 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 CA-C-O 121.754 0.788 . . . . 1.1699999999999999 109.723 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -75.16 147.41 40.47 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.266 -0.642 . . . . 2.79 109.266 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.04 145.84 13.92 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.811 -1.316 . . . . 0.47999999999999998 109.811 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.65 -51.54 7.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.319 -1.106 . . . . 3.2200000000000002 109.53 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -57.33 -37.98 73.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 2.21 109.243 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.51 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.25 78.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.322 -0.861 . . . . 3.5499999999999998 109.475 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.98 -60.01 3.96 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.657 -0.652 . . . . 0.52000000000000002 109.756 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -50.55 -38.69 46.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.6799999999999999 110.059 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.27 -51.52 63.15 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.055 -1.028 . . . . 1.1499999999999999 110.122 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.16 -45.86 91.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.958 -1.089 . . . . 0.33000000000000002 108.987 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -49.62 -42.49 45.09 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.106 -0.996 . . . . 3.02 109.058 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.46 -47.11 86.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.45 -0.781 . . . . 1.75 109.521 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.63 -47.64 85.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 1.0700000000000001 109.003 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.07 -48.39 80.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.336 -0.853 . . . . 1.21 109.482 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.65 -37.26 83.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.766 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.1 26.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 1.0600000000000001 109.987 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.3 -40.06 92.76 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.163 -0.96 . . . . 1.0800000000000001 109.448 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.73 91.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.197 -0.94 . . . . 1.9299999999999999 109.585 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.44 -49.5 75.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.929 . . . . 1.1399999999999999 109.053 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.09 -49.53 71.87 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.83 0.824 . . . . 2.1899999999999999 109.195 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -55.65 -34.58 65.09 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.734 -0.604 . . . . 1.4299999999999999 109.478 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.6 76.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.208 -0.932 . . . . 1.3100000000000001 109.507 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -80.39 -1.06 39.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.217 -0.927 . . . . 1.3999999999999999 109.544 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.577 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.59 -79.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 1.5700000000000001 109.293 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.74 6.82 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.034 -1.226 . . . . 1.53 110.034 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' B' ' 355' ' ' ALA . 49.6 tttm -85.22 144.04 28.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.987 -1.302 . . . . 4.5800000000000001 109.345 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.39 106.5 0.5 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.844 -0.535 . . . . 5.6799999999999997 110.022 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.25 84.76 0.1 Allowed 'Trans proline' 0 C--O 1.213 -0.755 0 N-CA-C 109.641 -0.946 . . . . 6.0499999999999998 109.641 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.252 -1.539 . . . . 7.2000000000000002 109.252 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' C' ' 321' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 9.2200000000000006 109.394 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 61.32 -76.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.481 -0.762 . . . . 8.5099999999999998 109.218 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' C' ' 319' ' ' LYS . 66.5 mttt 57.26 70.73 1.27 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 7.4199999999999999 109.745 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.36 -81.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.619 1.546 . . . . 5.0499999999999998 109.585 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.0 mt -78.47 100.99 7.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.187 -0.946 . . . . 5.1399999999999997 109.502 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -83.11 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.499 -0.75 . . . . 2.8500000000000001 109.759 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.54 160.73 52.82 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.826 -1.309 . . . . 1.27 109.826 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.71 130.05 44.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -1.139 . . . . 2.1099999999999999 109.563 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -93.4 159.04 15.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.27 -0.894 . . . . 1.01 109.35 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.49 -173.66 3.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.57999999999999996 109.421 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -151.63 115.42 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -0.816 . . . . 1.1599999999999999 108.977 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.93 136.84 40.15 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.511 -0.743 . . . . 1.1699999999999999 109.851 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.22 128.64 34.94 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.352 -0.981 . . . . 1.8100000000000001 108.352 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.17 115.88 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 121.677 0.751 . . . . 1.1299999999999999 109.774 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -75.32 147.53 40.07 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.197 -0.668 . . . . 2.8199999999999998 109.197 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 145.61 13.2 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.759 -1.336 . . . . 0.45000000000000001 109.759 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.48 -51.34 7.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -1.092 . . . . 3.0800000000000001 109.583 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -57.53 -37.84 73.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.915 . . . . 2.54 109.161 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.501 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -48.22 79.07 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.27 -0.894 . . . . 4.1100000000000003 109.584 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.91 -60.02 3.94 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.436 0.636 . . . . 0.56999999999999995 109.885 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -50.52 -38.87 46.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.416 -0.802 . . . . 1.6599999999999999 110.063 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.07 -51.55 63.55 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.121 -0.987 . . . . 1.29 110.165 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -62.17 -45.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.043 -1.036 . . . . 0.40000000000000002 109.028 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.72 -42.55 46.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.111 -0.993 . . . . 3.8500000000000001 108.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.31 -47.26 86.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.48 -0.762 . . . . 1.78 109.523 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 53.5 mt -60.62 -47.53 85.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.877 . . . . 1.1699999999999999 109.054 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.15 -48.29 80.71 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.391 -0.818 . . . . 1.2 109.43 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 2.1200000000000001 109.753 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.7 -56.09 26.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.933 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.38 -40.02 92.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.149 -0.97 . . . . 1.1399999999999999 109.456 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.81 91.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.522 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -62.39 -49.46 75.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 1.3799999999999999 109.046 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.2 -49.41 72.13 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.771 0.796 . . . . 2.6800000000000002 109.223 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -55.76 -34.49 65.28 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.503 -0.555 . . . . 1.3400000000000001 109.503 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.62 76.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 1.3 109.479 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.45 -1.11 40.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 1.8 109.472 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.581 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.55 -79.05 0.07 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 1.47 109.345 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.65 6.6 0.11 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.004 -1.239 . . . . 1.6599999999999999 110.004 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.581 ' H ' ' C ' ' C' ' 355' ' ' ALA . 49.8 tttm -85.19 143.97 28.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.935 -1.332 . . . . 4.7800000000000002 109.421 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.38 106.68 0.51 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.803 -0.56 . . . . 6.1900000000000004 110.013 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.34 84.62 0.1 Allowed 'Trans proline' 0 C--O 1.214 -0.707 0 N-CA-C 109.587 -0.967 . . . . 6.1799999999999997 109.587 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.305 -1.518 . . . . 6.9000000000000004 109.305 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' D' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.483 -0.562 . . . . 7.6900000000000004 109.483 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 61.31 -76.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.53 -0.731 . . . . 7.4500000000000002 109.118 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 319' ' ' LYS . 66.4 mttt 57.33 70.81 1.24 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 6.8399999999999999 109.711 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.62 -80.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 121.586 1.524 . . . . 5.1200000000000001 109.549 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -78.5 101.12 7.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 4.6600000000000001 109.432 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -83.2 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.432 -0.793 . . . . 2.46 109.804 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 160.66 52.9 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.806 -1.318 . . . . 1.0800000000000001 109.806 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.66 130.05 44.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -1.167 . . . . 1.6699999999999999 109.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -93.38 159.23 15.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.309 -0.869 . . . . 1.01 109.392 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.65 -173.69 3.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.63 109.448 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.4 p -151.61 115.53 4.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.437 -0.789 . . . . 1.1299999999999999 108.88 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -101.09 136.57 40.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.492 -0.755 . . . . 1.1000000000000001 109.79 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.87 128.43 34.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.59 -0.893 . . . . 1.3700000000000001 108.59 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.06 115.93 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-O 121.707 0.765 . . . . 1.1499999999999999 109.734 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -75.22 147.24 40.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.284 -0.636 . . . . 2.77 109.284 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 145.72 13.63 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.963 -1.255 . . . . 0.42999999999999999 109.963 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.52 -51.46 7.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -1.122 . . . . 3.1200000000000001 109.626 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -57.37 -38.05 73.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 2.2200000000000002 109.226 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.509 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.9 -48.3 78.52 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.315 -0.866 . . . . 3.5 109.622 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.88 -60.04 3.91 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.657 -0.652 . . . . 0.5 109.832 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -50.57 -38.76 47.02 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.527 -0.733 . . . . 1.6899999999999999 110.011 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.2 -51.5 63.43 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.083 -1.011 . . . . 1.1399999999999999 110.149 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.07 -45.87 91.63 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.034 -1.041 . . . . 0.32000000000000001 109.018 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -49.73 -42.4 46.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.991 . . . . 2.96 109.038 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.15 86.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.465 -0.772 . . . . 1.75 109.469 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.61 -47.54 85.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.824 . . . . 1.0800000000000001 109.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -58.17 -48.35 80.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.453 -0.779 . . . . 1.22 109.401 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.66 -37.32 83.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.73 109.794 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.66 -56.01 27.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.952 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 -39.98 92.77 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.181 -0.949 . . . . 1.1100000000000001 109.374 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.35 -39.64 91.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.119 -0.988 . . . . 1.9099999999999999 109.561 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.3 tp -62.34 -49.19 76.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 1.1699999999999999 109.005 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -64.39 -49.58 71.01 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.729 0.776 . . . . 2.1499999999999999 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.59 -34.39 64.78 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.448 -0.575 . . . . 1.4399999999999999 109.448 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.71 76.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.14 -0.975 . . . . 1.3 109.531 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.4 -1.02 39.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.3999999999999999 109.548 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.592 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.61 -79.11 0.07 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -0.915 . . . . 1.6000000000000001 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.7 6.72 0.11 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.029 -1.228 . . . . 1.5 110.029 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.592 ' H ' ' C ' ' D' ' 355' ' ' ALA . 49.8 tttm -85.22 143.98 28.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.303 . . . . 4.5499999999999998 109.347 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -43.29 106.4 0.49 Allowed Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.726 -0.609 . . . . 5.6699999999999999 109.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.25 84.74 0.1 Allowed 'Trans proline' 0 C--O 1.213 -0.741 0 C-N-CA 120.725 0.95 . . . . 6.1200000000000001 109.665 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.367 -1.493 . . . . 7.2699999999999996 109.367 -179.832 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.423 -0.584 . . . . 7.6600000000000001 109.423 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 54.93 14.31 0.9 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 7.5099999999999998 109.846 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' A' ' 323' ' ' LEU . 83.7 mttt 50.83 82.71 0.24 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.952 . . . . 6.8099999999999996 110.022 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.48 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.0 Cg_endo -66.33 15.57 0.11 Allowed 'Trans proline' 0 C--N 1.322 -0.857 0 C-N-CA 121.413 1.409 . . . . 5.1500000000000004 110.323 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.6 mt -79.81 31.63 0.25 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.11 -0.994 . . . . 4.7000000000000002 109.318 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 322' ' ' PRO . 28.5 m-20 -78.21 -78.97 0.13 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.712 -0.617 . . . . 2.48 110.095 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.9 138.29 33.04 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.927 -1.269 . . . . 1.0800000000000001 109.927 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.32 147.93 49.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.713 -0.875 . . . . 1.7 109.613 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -96.18 144.99 25.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.227 -0.921 . . . . 1.04 109.503 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -134.59 -172.55 3.05 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.366 -0.834 . . . . 0.65000000000000002 109.542 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.0 p -149.63 150.65 32.5 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.56 -0.904 . . . . 1.1399999999999999 108.56 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -142.82 134.42 26.53 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.229 -0.919 . . . . 1.0900000000000001 109.925 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.35 126.97 33.7 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.588 -0.893 . . . . 1.3700000000000001 108.588 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.24 109.56 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 1.1499999999999999 109.203 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.32 149.61 38.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.598 -0.689 . . . . 2.79 109.792 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.1 114.24 1.35 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.962 -1.255 . . . . 0.45000000000000001 109.962 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 335' ' ' ARG . 11.4 ttt-85 -65.24 -37.15 86.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -1.14 . . . . 3.1600000000000001 108.75 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.9 -51.88 68.12 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.439 -0.788 . . . . 2.2200000000000002 109.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.47 ' HG3' HH11 ' A' ' 337' ' ' ARG . 21.0 ttm-85 -65.18 -36.11 83.17 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.232 -0.917 . . . . 3.54 109.938 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.47 -52.33 47.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.5 109.169 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.87 -38.72 70.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 1.6599999999999999 109.176 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.85 -53.88 47.41 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.433 -0.792 . . . . 1.1499999999999999 110.324 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.34 -47.19 87.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.154 -0.966 . . . . 0.34000000000000002 109.065 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.75 -42.13 62.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.158 -0.964 . . . . 2.9399999999999999 109.347 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.59 -48.29 82.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 1.74 109.806 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.49 -39.52 88.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.139 -0.975 . . . . 1.0700000000000001 108.831 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.38 -56.12 26.16 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.533 -0.729 . . . . 1.22 109.287 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 1.72 110.277 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.79 11.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 1.0700000000000001 110.194 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.86 -40.77 94.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.253 -0.905 . . . . 1.0800000000000001 109.643 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.35 -33.82 72.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 1.9099999999999999 109.239 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.36 -51.79 58.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.569 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -62.9 -41.05 99.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.366 -0.834 . . . . 2.1400000000000001 109.099 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.78 -36.64 70.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 1.4299999999999999 109.483 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.86 68.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 1.3 109.64 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.677 HE22 HE22 ' B' ' 354' ' ' GLN . 36.9 mt-30 -81.05 1.88 29.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.4199999999999999 109.699 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -81.23 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 1.5800000000000001 109.504 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.83 63.95 2.32 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.681 -1.368 . . . . 1.54 109.681 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -84.99 157.83 20.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.247 -1.149 . . . . 4.5499999999999998 109.517 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.41 148.56 4.62 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 5.71 109.174 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.72 -172.41 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.964 1.109 . . . . 6.0899999999999999 109.851 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.988 -1.451 . . . . 7.2400000000000002 109.557 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.438 -0.578 . . . . 7.6699999999999999 109.438 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 55.06 14.21 0.93 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.375 -0.828 . . . . 7.46 109.815 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' B' ' 323' ' ' LEU . 83.6 mttt 50.89 82.75 0.24 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.157 -0.964 . . . . 6.79 109.981 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.462 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.9 Cg_endo -66.33 15.55 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 121.353 1.369 . . . . 5.1500000000000004 110.354 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.554 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.6 mt -79.8 31.49 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.043 -1.036 . . . . 4.6600000000000001 109.315 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' B' ' 322' ' ' PRO . 28.5 m-20 -78.19 -79.13 0.13 Allowed 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.702 -0.624 . . . . 2.4700000000000002 109.994 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.63 138.23 33.46 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.995 -1.242 . . . . 1.0600000000000001 109.995 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.37 147.92 49.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.923 . . . . 1.6100000000000001 109.623 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -96.19 144.97 25.93 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.193 -0.942 . . . . 0.96999999999999997 109.528 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -134.57 -172.6 3.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.337 -0.852 . . . . 0.59999999999999998 109.523 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 63.1 p -149.55 150.75 32.73 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.51 -0.922 . . . . 1.1000000000000001 108.51 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.82 134.49 26.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.264 -0.897 . . . . 1.1000000000000001 109.918 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.53 127.0 33.8 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.49 -0.929 . . . . 1.3600000000000001 108.49 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.26 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.387 -0.821 . . . . 1.1699999999999999 109.238 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.72 38.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.632 -0.667 . . . . 2.79 109.831 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 114.19 1.33 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.948 -1.261 . . . . 0.47999999999999998 109.948 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' B' ' 335' ' ' ARG . 11.3 ttt-85 -65.13 -37.21 86.69 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -1.096 . . . . 3.2200000000000002 108.777 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.89 -51.87 68.17 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.75 . . . . 2.21 109.865 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.461 HH11 ' HG3' ' B' ' 337' ' ' ARG . 21.0 ttm-85 -65.16 -36.08 83.11 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.267 -0.896 . . . . 3.5499999999999998 109.933 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.55 -52.33 47.98 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.273 -0.892 . . . . 0.52000000000000002 109.133 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -38.64 70.36 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 109.252 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.94 -53.91 46.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.503 -0.748 . . . . 1.1499999999999999 110.308 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.33 -47.22 86.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.137 -0.977 . . . . 0.33000000000000002 109.096 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.7 -42.09 61.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.221 -0.925 . . . . 3.02 109.385 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.31 82.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -0.976 . . . . 1.75 109.831 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.41 -39.61 88.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 108.857 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.39 -56.1 26.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.434 -0.791 . . . . 1.21 109.236 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.02 -38.1 89.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.194 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.41 -57.8 11.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 1.0600000000000001 110.201 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.83 -40.8 94.17 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.604 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.34 -33.91 73.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.077 -1.015 . . . . 1.9299999999999999 109.155 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.37 -51.8 57.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 109.574 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.84 -41.12 99.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.331 -0.856 . . . . 2.1899999999999999 109.037 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.74 -36.65 70.0 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.564 -0.71 . . . . 1.4299999999999999 109.508 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -47.9 68.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 1.3100000000000001 109.608 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.677 HE22 HE22 ' A' ' 354' ' ' GLN . 37.0 mt-30 -81.07 1.81 29.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 1.3999999999999999 109.611 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.44 -81.31 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 1.5700000000000001 109.52 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.78 64.01 2.3 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.594 -1.403 . . . . 1.53 109.594 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -85.13 157.86 20.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -1.129 . . . . 4.5800000000000001 109.51 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.38 148.55 4.59 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 5.6799999999999997 109.217 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.69 -172.48 0.03 OUTLIER 'Trans proline' 0 C--O 1.214 -0.706 0 C-N-CA 120.939 1.092 . . . . 6.0499999999999998 109.85 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 117.945 -1.475 . . . . 7.2000000000000002 109.566 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.483 -0.562 . . . . 9.2200000000000006 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 55.07 14.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.43 -0.794 . . . . 8.5099999999999998 109.821 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.557 ' C ' ' H ' ' C' ' 323' ' ' LEU . 83.6 mttt 50.83 82.7 0.24 Allowed Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 7.4199999999999999 110.04 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.9 Cg_endo -66.29 15.54 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 121.401 1.401 . . . . 5.0499999999999998 110.267 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.7 mt -79.81 31.59 0.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 5.1399999999999997 109.297 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' C' ' 322' ' ' PRO . 28.6 m-20 -78.17 -79.14 0.13 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.801 -0.562 . . . . 2.8500000000000001 110.002 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.78 138.2 33.15 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.995 -1.242 . . . . 1.27 109.995 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.25 147.97 49.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.65 -0.912 . . . . 2.1099999999999999 109.639 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.23 144.89 26.02 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.206 -0.934 . . . . 1.01 109.518 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.45 -172.66 3.07 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.57999999999999996 109.544 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 62.9 p -149.54 150.55 32.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.238 -0.914 . . . . 1.1599999999999999 108.542 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 134.43 26.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 109.94 -178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.45 127.06 33.8 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.469 -0.937 . . . . 1.8100000000000001 108.469 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.0 mt -123.29 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.569 -0.707 . . . . 1.1299999999999999 109.244 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.64 38.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.578 -0.701 . . . . 2.8199999999999998 109.797 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 114.18 1.35 Allowed Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.946 -1.262 . . . . 0.45000000000000001 109.946 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' C' ' 335' ' ' ARG . 11.3 ttt-85 -65.24 -37.12 86.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.237 -1.155 . . . . 3.0800000000000001 108.773 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.83 -51.98 67.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.393 -0.817 . . . . 2.54 109.82 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.458 HH11 ' HG3' ' C' ' 337' ' ' ARG . 21.1 ttm-85 -65.15 -36.14 83.32 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.288 -0.883 . . . . 4.1100000000000003 109.84 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.53 -52.37 47.58 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.56999999999999995 109.124 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.8 -38.72 70.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 1.6599999999999999 109.165 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.93 -53.9 46.88 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.488 -0.757 . . . . 1.29 110.245 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.3 -47.17 87.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.198 -0.939 . . . . 0.40000000000000002 109.094 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -51.83 -42.13 62.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.298 -0.877 . . . . 3.8500000000000001 109.33 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.19 82.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.133 -0.979 . . . . 1.78 109.914 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.55 -39.45 87.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.211 -0.93 . . . . 1.1699999999999999 108.865 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.45 -56.07 26.82 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.425 -0.797 . . . . 1.2 109.271 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.1 -38.01 89.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.463 -0.773 . . . . 2.1200000000000001 110.18 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.64 11.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.107 -0.996 . . . . 1.0700000000000001 110.203 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.01 -40.71 94.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 1.1399999999999999 109.551 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.38 -33.87 73.08 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.167 -0.958 . . . . 2.0899999999999999 109.253 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.42 -51.73 58.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 1.3799999999999999 109.601 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.87 -41.13 99.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 2.6800000000000002 109.067 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -56.73 -36.64 69.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.504 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.79 68.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 1.3 109.713 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.714 HE22 HE22 ' D' ' 354' ' ' GLN . 36.9 mt-30 -81.18 1.93 29.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.33 -0.856 . . . . 1.8 109.566 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -81.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.161 -0.962 . . . . 1.47 109.488 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.9 64.04 2.34 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.545 -1.422 . . . . 1.6599999999999999 109.545 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -85.13 157.79 20.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.271 -1.135 . . . . 4.7800000000000002 109.517 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -49.32 148.48 4.53 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.307 -0.871 . . . . 6.1900000000000004 109.136 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.57 -172.51 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.658 0 C-N-CA 120.97 1.114 . . . . 6.1799999999999997 109.901 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 CA-C-O 117.99 -1.45 . . . . 6.9000000000000004 109.524 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.433 -0.58 . . . . 7.6900000000000004 109.433 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 54.98 14.22 0.89 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.418 -0.801 . . . . 7.4500000000000002 109.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' D' ' 323' ' ' LEU . 83.6 mttt 50.89 82.71 0.24 Allowed Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.196 -0.94 . . . . 6.8399999999999999 110.021 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.462 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.9 Cg_endo -66.3 15.49 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 121.416 1.411 . . . . 5.1200000000000001 110.237 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.7 mt -79.78 31.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 4.6600000000000001 109.271 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' D' ' 322' ' ' PRO . 28.5 m-20 -78.21 -78.99 0.13 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.738 -0.601 . . . . 2.46 110.003 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.81 138.23 33.14 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.901 -1.279 . . . . 1.0800000000000001 109.901 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.36 147.92 49.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.883 . . . . 1.6699999999999999 109.628 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -96.17 145.01 25.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.249 -0.907 . . . . 1.01 109.511 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.63 -172.72 3.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.355 -0.84 . . . . 0.63 109.567 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 62.4 p -149.53 150.77 32.8 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.434 -0.95 . . . . 1.1299999999999999 108.434 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.81 134.47 26.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.231 -0.918 . . . . 1.1000000000000001 109.912 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.54 127.03 33.83 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.49 -0.93 . . . . 1.3700000000000001 108.49 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.3 109.51 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.221 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.34 149.59 38.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.645 -0.659 . . . . 2.77 109.863 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.11 114.26 1.35 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.973 -1.251 . . . . 0.42999999999999999 109.973 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' D' ' 335' ' ' ARG . 11.2 ttt-85 -65.25 -37.2 86.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.274 -1.133 . . . . 3.1200000000000001 108.696 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.82 -51.97 67.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 2.2200000000000002 109.8 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' D' ' 337' ' ' ARG . 21.1 ttm-85 -65.02 -36.21 83.67 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.18 -0.95 . . . . 3.5 109.926 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.48 -52.39 47.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 0.5 109.117 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.79 -38.72 70.31 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.222 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.88 -53.96 46.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.491 -0.756 . . . . 1.1399999999999999 110.249 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.27 -47.2 87.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.32000000000000001 109.104 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.73 -42.1 62.02 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.245 -0.909 . . . . 2.96 109.376 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.67 -48.19 82.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.091 -1.006 . . . . 1.75 109.819 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.51 -39.51 88.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 108.809 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.37 -56.26 24.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.408 -0.807 . . . . 1.22 109.175 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -62.92 -38.12 89.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.442 -0.786 . . . . 1.73 110.289 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.39 -57.77 11.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 110.235 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -40.86 94.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 1.1100000000000001 109.585 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.22 -33.93 72.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.174 -0.954 . . . . 1.9099999999999999 109.283 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.38 -51.77 58.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.87 . . . . 1.1699999999999999 109.591 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.85 -41.07 99.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.35 -0.844 . . . . 2.1499999999999999 109.06 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -56.83 -36.65 70.21 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.467 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.95 68.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 1.3 109.639 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.714 HE22 HE22 ' C' ' 354' ' ' GLN . 36.9 mt-30 -81.03 1.82 29.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 1.3999999999999999 109.65 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.56 -81.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.177 -0.952 . . . . 1.6000000000000001 109.527 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.84 63.98 2.32 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.665 -1.374 . . . . 1.5 109.665 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -84.96 157.82 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -1.16 . . . . 4.5499999999999998 109.579 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.32 148.55 4.47 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 5.6699999999999999 109.161 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.76 -172.4 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.646 0 C-N-CA 120.938 1.092 . . . . 6.1200000000000001 109.795 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.993 -1.448 . . . . 7.2699999999999996 109.583 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.32 0.581 . . . . 7.6600000000000001 109.7 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 59.9 36.93 21.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.314 -0.866 . . . . 7.5099999999999998 110.0 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 323' ' ' LEU . 28.2 mmtm 52.83 74.64 0.74 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.013 -1.054 . . . . 6.8099999999999996 109.39 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.86 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.079 0 C-N-CA 121.541 1.494 . . . . 5.1500000000000004 110.361 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 321' ' ' LYS . 14.5 mt -80.07 103.07 9.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.118 -0.989 . . . . 4.7000000000000002 109.157 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.505 ' CB ' ' HE ' ' C' ' 333' ' ' ARG . 17.5 m-20 -81.84 -142.02 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.372 -0.83 . . . . 2.48 109.786 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.431 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.66 163.43 49.73 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.709 -1.357 . . . . 1.0800000000000001 109.709 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 134.51 57.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -1.128 . . . . 1.7 109.609 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -95.16 158.06 15.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.228 -0.92 . . . . 1.04 109.633 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -137.05 -168.27 2.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.399 -0.813 . . . . 0.65000000000000002 109.484 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.0 143.33 23.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 108.729 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.8 tp -139.01 137.5 36.39 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 1.0900000000000001 109.834 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.46 131.25 34.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.406 -0.961 . . . . 1.3700000000000001 108.406 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.7 mt -123.42 116.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.376 -0.828 . . . . 1.1499999999999999 109.512 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.509 ' HE ' ' CB ' ' C' ' 324' ' ' ASP . 31.3 ttt-85 -75.16 151.36 38.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.604 -0.685 . . . . 2.79 109.74 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.66 132.89 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.269 -1.133 . . . . 0.45000000000000001 110.269 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.43 -48.08 14.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.389 -1.066 . . . . 3.1600000000000001 109.38 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 1.6 pm0 -59.21 -39.71 83.51 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.087 -1.008 . . . . 2.2200000000000002 108.901 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.55 -41.44 98.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.904 . . . . 3.54 109.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.57 -57.08 13.41 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.619 -0.676 . . . . 0.5 110.009 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.444 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 80.1 mm-40 -51.28 -37.52 47.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 109.859 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.62 58.97 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.883 . . . . 1.1499999999999999 110.318 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -61.14 -43.63 98.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.013 . . . . 0.34000000000000002 109.142 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 41.7 ttp180 -51.42 -44.77 62.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.181 -0.949 . . . . 2.9399999999999999 109.203 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.31 -47.52 85.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.836 . . . . 1.74 109.831 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.76 -41.01 94.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 1.0700000000000001 109.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.99 -54.49 46.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.885 . . . . 1.22 109.318 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.548 ' CD ' ' HZ3' ' B' ' 351' ' ' LYS . 61.3 tt0 -63.74 -31.14 72.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 1.72 109.373 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.87 -52.82 64.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 1.0700000000000001 109.867 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.33 -45.25 95.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.211 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.93 -36.05 74.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.201 -0.937 . . . . 1.9099999999999999 109.358 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.72 -48.24 77.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 1.1499999999999999 109.253 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.19 -46.92 84.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.381 -0.825 . . . . 2.1400000000000001 108.945 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.09 63.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.733 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.08 73.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.209 -0.932 . . . . 1.3 109.605 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.59 -8.07 59.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 1.4199999999999999 109.38 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.04 -50.77 25.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.352 -0.842 . . . . 1.5800000000000001 109.519 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.91 53.16 3.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.743 -1.343 . . . . 1.54 109.743 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.9 144.38 28.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -1.151 . . . . 4.5499999999999998 109.32 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -47.55 110.54 1.37 Allowed Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.275 -0.891 . . . . 5.71 109.425 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.54 111.36 1.14 Allowed 'Trans proline' 0 C--O 1.215 -0.644 0 N-CA-C 109.91 -0.842 . . . . 6.0899999999999999 109.91 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.957 -1.468 . . . . 7.2400000000000002 109.511 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.342 0.591 . . . . 7.6699999999999999 109.747 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 60.05 36.92 21.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 7.46 109.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' B' ' 323' ' ' LEU . 28.3 mmtm 52.66 74.72 0.73 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 6.79 109.466 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.2 8.74 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 121.455 1.436 . . . . 5.1500000000000004 110.344 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' B' ' 321' ' ' LYS . 14.4 mt -79.98 103.09 9.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.005 -1.059 . . . . 4.6600000000000001 109.15 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.489 ' CB ' ' HE ' ' D' ' 333' ' ' ARG . 17.4 m-20 -81.87 -142.23 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.379 -0.826 . . . . 2.4700000000000002 109.705 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.402 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -68.39 163.46 48.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.68 -1.368 . . . . 1.0600000000000001 109.68 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.91 134.51 57.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.241 -1.152 . . . . 1.6100000000000001 109.626 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.21 157.9 15.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.615 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.91 -168.15 2.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.59999999999999998 109.482 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -152.07 143.38 23.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.252 -0.905 . . . . 1.1000000000000001 108.696 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.9 tp -139.08 137.58 36.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.381 -0.824 . . . . 1.1000000000000001 109.839 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.51 131.32 34.39 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.393 -0.966 . . . . 1.3600000000000001 108.393 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.45 116.89 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.458 -0.776 . . . . 1.1699999999999999 109.523 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.493 ' HE ' ' CB ' ' D' ' 324' ' ' ASP . 31.5 ttt-85 -75.18 151.37 38.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.69 -0.631 . . . . 2.79 109.669 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 132.78 2.55 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.267 -1.133 . . . . 0.47999999999999998 110.267 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.29 -48.29 14.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -1.099 . . . . 3.2200000000000002 109.3 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 1.6 pm0 -59.17 -39.67 83.23 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.104 -0.997 . . . . 2.21 108.92 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.57 -41.43 98.38 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 3.5499999999999998 109.191 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.55 -57.18 13.0 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.618 -0.676 . . . . 0.52000000000000002 109.967 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.454 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 80.3 mm-40 -51.21 -37.58 47.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.6799999999999999 109.807 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.67 58.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.235 -0.916 . . . . 1.1499999999999999 110.29 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -61.09 -43.64 98.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.02 -1.05 . . . . 0.33000000000000002 109.189 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 41.6 ttp180 -51.38 -44.76 62.22 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.192 -0.942 . . . . 3.02 109.217 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.37 -47.53 85.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 1.75 109.784 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.75 -40.93 94.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 1.0700000000000001 109.057 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -58.11 -54.5 46.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 1.21 109.198 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.74 -31.2 72.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 1.6899999999999999 109.405 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.79 -52.79 64.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.0600000000000001 109.949 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.37 -45.13 95.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 1.0800000000000001 109.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.04 -36.0 74.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.301 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.71 -48.13 78.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -0.861 . . . . 1.1399999999999999 109.267 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.548 ' HZ3' ' CD ' ' A' ' 346' ' ' GLU . 15.0 ttmm -63.39 -46.84 84.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.402 -0.811 . . . . 2.1899999999999999 108.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.02 63.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.645 -0.659 . . . . 1.4299999999999999 109.683 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -47.14 72.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.3100000000000001 109.642 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -81.67 -7.89 59.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.265 -0.897 . . . . 1.3999999999999999 109.401 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.83 25.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.301 -0.874 . . . . 1.5700000000000001 109.446 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.87 53.18 3.69 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.779 -1.328 . . . . 1.53 109.779 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -85.02 144.38 28.31 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.178 -1.19 . . . . 4.5800000000000001 109.331 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.49 110.63 1.39 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 5.6799999999999997 109.442 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.59 111.38 1.15 Allowed 'Trans proline' 0 C--O 1.215 -0.657 0 N-CA-C 109.865 -0.859 . . . . 6.0499999999999998 109.865 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 CA-C-O 118.004 -1.442 . . . . 7.2000000000000002 109.505 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.302 0.573 . . . . 9.2200000000000006 109.691 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 60.01 36.89 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 8.5099999999999998 109.996 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' C' ' 323' ' ' LEU . 28.4 mmtm 52.76 74.68 0.74 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.992 -1.067 . . . . 7.4199999999999999 109.407 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.79 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 121.538 1.492 . . . . 5.0499999999999998 110.321 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' C' ' 321' ' ' LYS . 14.4 mt -80.02 103.06 9.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.026 -1.046 . . . . 5.1399999999999997 109.215 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.509 ' CB ' ' HE ' ' A' ' 333' ' ' ARG . 17.7 m-20 -81.9 -142.1 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 2.8500000000000001 109.747 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.456 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -68.61 163.47 49.54 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.694 -1.363 . . . . 1.27 109.694 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.84 134.5 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -1.156 . . . . 2.1099999999999999 109.631 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.11 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.157 -0.964 . . . . 1.01 109.694 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.02 -168.25 2.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.478 -0.764 . . . . 0.57999999999999996 109.44 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.04 143.29 23.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.23 -0.919 . . . . 1.1599999999999999 108.772 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.01 137.55 36.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.378 -0.826 . . . . 1.1699999999999999 109.814 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.53 131.22 34.4 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.375 -0.972 . . . . 1.8100000000000001 108.375 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.4 116.93 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.452 -0.78 . . . . 1.1299999999999999 109.446 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.505 ' HE ' ' CB ' ' A' ' 324' ' ' ASP . 31.5 ttt-85 -75.25 151.42 38.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.534 -0.729 . . . . 2.8199999999999998 109.608 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.64 132.87 2.54 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.25 -1.14 . . . . 0.45000000000000001 110.25 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.36 -48.17 14.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.327 -1.102 . . . . 3.0800000000000001 109.38 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 1.6 pm0 -59.18 -39.7 83.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.07 -1.019 . . . . 2.54 108.914 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.58 -41.37 98.38 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.358 -0.838 . . . . 4.1100000000000003 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -55.64 -57.08 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.639 -0.663 . . . . 0.56999999999999995 109.955 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 80.2 mm-40 -51.26 -37.56 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.815 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.91 -52.64 58.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 1.29 110.341 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.04 -43.71 98.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.40000000000000002 109.206 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 41.6 ttp180 -51.36 -44.77 62.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.201 -0.937 . . . . 3.8500000000000001 109.16 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.42 -47.34 86.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -0.832 . . . . 1.78 109.845 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.91 -40.93 95.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 108.991 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.09 -54.42 47.17 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 1.2 109.274 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -63.84 -31.03 72.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 2.1200000000000001 109.452 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.89 63.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.867 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.28 -45.17 95.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 1.1399999999999999 109.306 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.14 -36.0 74.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.313 -0.867 . . . . 2.0899999999999999 109.259 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.71 -48.24 77.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.336 -0.852 . . . . 1.3799999999999999 109.282 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.412 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 15.1 ttmm -63.26 -46.89 84.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 2.6800000000000002 108.891 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.98 -29.99 63.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.781 -0.574 . . . . 1.3400000000000001 109.606 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.09 73.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 1.3 109.614 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.58 -8.03 59.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.227 -0.921 . . . . 1.8 109.355 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.0 -50.84 25.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 1.47 109.519 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.92 53.18 3.71 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.763 -1.335 . . . . 1.6599999999999999 109.763 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.98 144.46 28.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -1.165 . . . . 4.7800000000000002 109.324 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -47.54 110.65 1.4 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 6.1900000000000004 109.372 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.66 111.4 1.16 Allowed 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.875 -0.856 . . . . 6.1799999999999997 109.875 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 117.949 -1.473 . . . . 6.9000000000000004 109.456 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.239 0.543 . . . . 7.6900000000000004 109.788 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 69.4 tttt 59.91 37.02 21.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.377 -0.827 . . . . 7.4500000000000002 109.977 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' D' ' 323' ' ' LEU . 28.4 mmtm 52.66 74.69 0.74 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.032 . . . . 6.8399999999999999 109.485 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.84 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.528 1.485 . . . . 5.1200000000000001 110.297 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' D' ' 321' ' ' LYS . 14.4 mt -80.06 103.11 9.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.998 . . . . 4.6600000000000001 109.142 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.493 ' CB ' ' HE ' ' B' ' 333' ' ' ARG . 17.5 m-20 -81.89 -142.07 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 2.46 109.747 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.421 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -68.56 163.44 49.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.665 -1.374 . . . . 1.0800000000000001 109.665 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.84 134.55 57.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -1.099 . . . . 1.6699999999999999 109.673 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.11 158.03 15.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.945 . . . . 1.01 109.634 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.98 -168.2 2.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.418 -0.801 . . . . 0.63 109.427 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -152.08 143.29 23.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.305 -0.872 . . . . 1.1299999999999999 108.78 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.0 137.5 36.39 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.82 . . . . 1.1000000000000001 109.805 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -85.46 131.18 34.42 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.424 -0.954 . . . . 1.3700000000000001 108.424 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 116.86 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.503 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.489 ' HE ' ' CB ' ' B' ' 324' ' ' ASP . 31.7 ttt-85 -75.18 151.34 38.5 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.598 -0.689 . . . . 2.77 109.668 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.74 132.81 2.57 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.247 -1.141 . . . . 0.42999999999999999 110.247 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.29 -48.21 14.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.09 . . . . 3.1200000000000001 109.339 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' D' ' 336' ' ' GLU . 1.6 pm0 -59.22 -39.61 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.038 -1.039 . . . . 2.2200000000000002 108.904 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.55 -41.52 98.43 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.276 -0.89 . . . . 3.5 109.161 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.6 -57.11 13.32 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.66 -0.65 . . . . 0.5 109.926 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.457 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 80.3 mm-40 -51.27 -37.56 47.9 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.272 -0.892 . . . . 1.6899999999999999 109.849 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.88 -52.68 58.85 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 110.312 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.32000000000000001 109.242 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.457 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 41.7 ttp180 -51.44 -44.75 62.44 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.156 -0.965 . . . . 2.96 109.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.38 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.75 109.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.9 -40.94 94.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 1.0800000000000001 108.997 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.08 -54.43 47.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.285 -0.884 . . . . 1.22 109.248 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.412 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 61.2 tt0 -63.78 -31.08 72.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 1.73 109.405 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.89 63.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 1.0700000000000001 109.931 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.26 -45.23 95.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -0.919 . . . . 1.1100000000000001 109.266 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.128 -0.982 . . . . 1.9099999999999999 109.334 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.8 -48.17 77.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 1.1699999999999999 109.224 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.28 -46.91 84.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.403 -0.811 . . . . 2.1499999999999999 108.851 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.14 63.52 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.647 -0.658 . . . . 1.4399999999999999 109.679 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.16 73.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 1.3 109.621 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -81.64 -7.88 59.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 1.3999999999999999 109.426 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -50.8 25.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.324 -0.86 . . . . 1.6000000000000001 109.467 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.88 53.15 3.69 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.747 -1.341 . . . . 1.5 109.747 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.95 144.41 28.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -1.152 . . . . 4.5499999999999998 109.383 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -47.54 110.59 1.39 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.352 -0.842 . . . . 5.6699999999999999 109.435 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.6 111.33 1.14 Allowed 'Trans proline' 0 C--O 1.214 -0.682 0 N-CA-C 109.855 -0.864 . . . . 6.1200000000000001 109.855 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.493 -1.443 . . . . 7.2699999999999996 109.493 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.347 0.594 . . . . 7.6600000000000001 109.5 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.36 -107.7 0.39 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 7.5099999999999998 109.376 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 51.9 82.01 0.25 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.886 -1.133 . . . . 6.8099999999999996 109.694 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -63.95 -170.84 0.13 Allowed 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 121.39 1.393 . . . . 5.1500000000000004 110.042 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.12 109.53 14.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 4.7000000000000002 109.29 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -80.74 -106.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 2.48 109.657 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.39 147.96 46.45 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.775 -1.33 . . . . 1.0800000000000001 109.775 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.24 141.16 56.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.429 -1.042 . . . . 1.7 109.693 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.31 155.77 16.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.92 . . . . 1.04 109.414 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.72 1.67 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.242 -0.911 . . . . 0.65000000000000002 109.533 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.9 p -152.12 147.42 26.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.245 -0.91 . . . . 1.1399999999999999 109.131 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.01 133.89 36.01 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.418 -0.801 . . . . 1.0900000000000001 110.187 -178.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.23 129.34 34.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 1.3700000000000001 109.13 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.96 119.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.188 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.22 152.02 39.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.64 -0.663 . . . . 2.79 110.214 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.63 139.93 2.47 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.321 -1.111 . . . . 0.45000000000000001 110.321 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.47 HH11 ' HG3' ' A' ' 335' ' ' ARG . 6.6 ttm-85 -79.78 -44.55 20.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.415 -1.05 . . . . 3.1600000000000001 109.227 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.03 -41.93 84.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 2.2200000000000002 109.121 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -62.49 -43.44 98.81 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.392 -0.817 . . . . 3.54 109.015 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.84 -57.9 10.1 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.621 -0.674 . . . . 0.5 109.609 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 30.6 mm-40 -51.66 -39.29 57.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 109.856 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.68 -52.41 60.76 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.227 -0.92 . . . . 1.1499999999999999 110.225 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.11 -47.29 86.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.099 -1.001 . . . . 0.34000000000000002 109.243 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 42.2 ttp180 -50.92 -42.39 59.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 2.9399999999999999 109.543 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.86 -41.85 87.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.917 . . . . 1.74 109.784 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.11 -47.98 82.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.36 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.51 -47.71 78.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.154 -0.966 . . . . 1.22 109.516 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -39.62 93.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 1.72 109.765 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.09 -50.61 73.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 109.723 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.06 -44.5 96.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 1.0800000000000001 109.682 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.73 -33.97 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.426 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.93 -52.23 57.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 109.317 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.26 -44.29 97.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.341 -0.849 . . . . 2.1400000000000001 109.245 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.93 -35.15 68.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.533 -0.73 . . . . 1.4299999999999999 109.53 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.79 84.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 1.3 109.682 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.65 -6.96 59.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.4199999999999999 109.642 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.03 7.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.059 -1.026 . . . . 1.5800000000000001 109.451 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.2 -3.02 87.64 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.225 -1.15 . . . . 1.54 110.225 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.8 23.98 1.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.915 -1.344 . . . . 4.5499999999999998 109.626 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 360' ' ' GLY . 52.5 mt-10 -46.74 110.04 1.17 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 5.71 109.548 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.33 6.89 0.27 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 120.754 0.969 . . . . 6.0899999999999999 110.27 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.39 0 CA-C-O 117.937 -1.48 . . . . 7.2400000000000002 109.589 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.46 -0.57 . . . . 7.6699999999999999 109.46 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.34 -107.7 0.39 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 7.46 109.482 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 51.86 82.04 0.25 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 120.896 -1.128 . . . . 6.79 109.667 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -63.94 -170.84 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.378 1.386 . . . . 5.1500000000000004 110.09 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.3 mt -80.09 109.43 14.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 4.6600000000000001 109.328 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.76 -106.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -0.867 . . . . 2.4700000000000002 109.626 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.413 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -69.36 147.97 46.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.822 -1.311 . . . . 1.0600000000000001 109.822 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.29 141.23 56.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -1.081 . . . . 1.6100000000000001 109.687 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.42 155.8 16.79 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.282 -0.886 . . . . 0.96999999999999997 109.465 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.15 -164.74 1.68 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.363 -0.836 . . . . 0.59999999999999998 109.495 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.6 p -151.99 147.61 26.75 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.192 -0.942 . . . . 1.1000000000000001 109.13 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.9 tp -137.29 133.74 35.33 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.462 -0.774 . . . . 1.1000000000000001 110.17 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.15 129.39 34.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.492 -0.755 . . . . 1.3600000000000001 109.076 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.02 119.04 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.522 -0.736 . . . . 1.1699999999999999 109.203 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.425 HH21 ' H ' ' D' ' 325' ' ' GLY . 4.1 tmt_? -74.23 152.03 39.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.588 -0.695 . . . . 2.79 110.153 -179.39 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.47 139.99 2.42 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.381 -1.088 . . . . 0.47999999999999998 110.381 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.467 HH11 ' HG3' ' B' ' 335' ' ' ARG . 6.5 ttm-85 -79.78 -44.57 20.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -1.032 . . . . 3.2200000000000002 109.228 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 2.21 109.058 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.54 -43.44 98.8 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.331 -0.856 . . . . 3.5499999999999998 109.007 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.68 -57.98 9.72 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.646 -0.659 . . . . 0.52000000000000002 109.644 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 30.7 mm-40 -51.67 -39.34 58.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.339 -0.85 . . . . 1.6799999999999999 109.741 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.69 -52.46 60.53 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 110.182 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.02 -47.37 86.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 0.33000000000000002 109.214 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 42.1 ttp180 -50.97 -42.33 59.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.239 -0.913 . . . . 3.02 109.536 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.82 -41.93 87.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.909 . . . . 1.75 109.782 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.02 -48.02 82.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 109.397 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -56.46 -47.73 78.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 1.21 109.515 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.34 -39.85 94.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.932 . . . . 1.6899999999999999 109.744 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.67 72.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 1.0600000000000001 109.733 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.08 -44.6 96.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 1.0800000000000001 109.607 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.63 -33.89 72.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 109.516 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.12 -52.16 57.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.408 -0.808 . . . . 1.1399999999999999 109.247 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.21 -44.35 97.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.1899999999999999 109.187 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 -35.16 68.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.503 -0.748 . . . . 1.4299999999999999 109.508 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -38.74 84.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.3100000000000001 109.7 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.62 -7.0 59.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 1.3999999999999999 109.687 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.04 7.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 1.5700000000000001 109.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 -2.99 87.49 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.182 -1.167 . . . . 1.53 110.182 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -84.83 24.03 1.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.038 -1.272 . . . . 4.5800000000000001 109.682 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' B' ' 360' ' ' GLY . 52.3 mt-10 -46.73 110.06 1.17 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.359 -0.838 . . . . 5.6799999999999997 109.548 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.33 7.02 0.25 Allowed 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 120.73 0.953 . . . . 6.0499999999999998 110.22 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.529 -1.428 . . . . 7.2000000000000002 109.529 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.487 -0.56 . . . . 9.2200000000000006 109.487 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.22 -107.62 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.875 . . . . 8.5099999999999998 109.495 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 51.82 82.11 0.25 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 7.4199999999999999 109.641 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.07 -170.83 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.33 1.353 . . . . 5.0499999999999998 110.115 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.13 109.48 14.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 5.1399999999999997 109.363 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.69 -106.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 2.8500000000000001 109.665 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.27 147.95 46.64 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.862 -1.295 . . . . 1.27 109.862 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.26 141.24 56.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -1.073 . . . . 2.1099999999999999 109.664 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.41 155.83 16.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.287 -0.883 . . . . 1.01 109.388 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.8 1.68 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.57999999999999996 109.5 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.7 p -152.07 147.42 26.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.149 -0.97 . . . . 1.1599999999999999 109.171 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.0 133.81 35.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.484 -0.76 . . . . 1.1699999999999999 110.312 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.12 129.46 34.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.458 -0.776 . . . . 1.8100000000000001 109.08 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -124.11 118.88 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.437 -0.789 . . . . 1.1299999999999999 109.259 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.14 151.99 39.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 2.8199999999999998 110.278 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.61 140.1 2.5 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.282 -1.127 . . . . 0.45000000000000001 110.282 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.452 HH11 ' HG3' ' C' ' 335' ' ' ARG . 6.6 ttm-85 -79.93 -44.51 20.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -1.087 . . . . 3.0800000000000001 109.247 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.08 -41.92 84.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 2.54 109.106 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.289 -0.882 . . . . 4.1100000000000003 109.061 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.83 -57.88 10.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.666 -0.646 . . . . 0.56999999999999995 109.641 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 30.5 mm-40 -51.7 -39.19 57.9 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.818 . . . . 1.6599999999999999 109.852 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.5 ttp -63.8 -52.4 60.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.213 -0.929 . . . . 1.29 110.168 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.18 -47.28 86.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.181 -0.95 . . . . 0.40000000000000002 109.16 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 42.2 ttp180 -50.86 -42.42 58.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.222 -0.924 . . . . 3.8500000000000001 109.588 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.82 -41.95 88.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.294 -0.879 . . . . 1.78 109.773 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.0 -47.96 82.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.38 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -56.55 -47.74 78.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.877 . . . . 1.2 109.495 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.28 -39.8 94.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 2.1200000000000001 109.729 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -50.76 72.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.679 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.02 -44.62 96.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.354 -0.841 . . . . 1.1399999999999999 109.654 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -33.94 72.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 2.0899999999999999 109.482 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.03 -52.24 57.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.384 -0.823 . . . . 1.3799999999999999 109.217 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.16 -44.36 97.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.326 -0.859 . . . . 2.6800000000000002 109.22 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.85 -35.26 68.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.473 -0.767 . . . . 1.3400000000000001 109.506 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.76 84.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 1.3 109.707 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.71 -6.9 59.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 1.8 109.602 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.03 7.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.094 -1.004 . . . . 1.47 109.427 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 -2.9 87.5 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.239 -1.144 . . . . 1.6599999999999999 110.239 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.8 23.86 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.955 -1.321 . . . . 4.7800000000000002 109.638 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' C' ' 360' ' ' GLY . 52.5 mt-10 -46.71 110.03 1.16 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 6.1900000000000004 109.487 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.2 6.8 0.27 Allowed 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 120.799 0.999 . . . . 6.1799999999999997 110.251 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.353 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.646 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.315 0.578 . . . . 7.6900000000000004 109.502 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.27 -107.73 0.39 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.273 -0.892 . . . . 7.4500000000000002 109.446 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 51.94 82.01 0.25 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 120.824 -1.172 . . . . 6.8399999999999999 109.658 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -63.97 -170.85 0.13 Allowed 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.378 1.385 . . . . 5.1200000000000001 110.084 -179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.12 109.44 14.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 4.6600000000000001 109.318 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.76 -106.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 2.46 109.577 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.425 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -69.27 147.94 46.63 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.842 -1.303 . . . . 1.0800000000000001 109.842 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.23 141.22 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.6699999999999999 109.729 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.37 155.81 16.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.219 -0.925 . . . . 1.01 109.434 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.12 -164.67 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.345 -0.847 . . . . 0.63 109.571 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.1 p -152.02 147.56 26.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 109.157 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.14 133.82 35.71 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 1.1000000000000001 110.232 -178.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.14 129.4 34.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.484 -0.76 . . . . 1.3700000000000001 109.098 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.08 119.04 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.515 -0.74 . . . . 1.1499999999999999 109.207 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.413 HH21 ' H ' ' B' ' 325' ' ' GLY . 4.1 tmt_? -74.18 152.07 39.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 2.77 110.223 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.48 140.04 2.44 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.335 -1.106 . . . . 0.42999999999999999 110.335 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.47 HH11 ' HG3' ' D' ' 335' ' ' ARG . 6.6 ttm-85 -79.84 -44.54 20.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 3.1200000000000001 109.215 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.1 -41.88 84.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.038 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.51 -43.5 98.67 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.293 -0.879 . . . . 3.5 108.993 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.68 -57.94 9.9 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.404 0.621 . . . . 0.5 109.665 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 30.5 mm-40 -51.66 -39.38 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 1.6899999999999999 109.798 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.57 -52.52 60.67 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 110.182 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.07 -47.35 86.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.32000000000000001 109.151 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 42.2 ttp180 -50.87 -42.45 58.92 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.289 -0.882 . . . . 2.96 109.548 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.88 -41.82 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 1.75 109.706 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.971 . . . . 1.0800000000000001 109.325 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.41 -47.76 78.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.22 109.534 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.33 -39.91 94.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.73 109.745 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.84 72.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.198 -0.939 . . . . 1.0700000000000001 109.712 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.99 -44.59 96.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.387 -0.82 . . . . 1.1100000000000001 109.65 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.67 -33.96 72.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.147 -0.971 . . . . 1.9099999999999999 109.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.89 -52.35 57.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.1699999999999999 109.248 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.2 -44.29 97.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.263 -0.898 . . . . 2.1499999999999999 109.225 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.84 -35.33 68.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.542 -0.724 . . . . 1.4399999999999999 109.51 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.76 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 1.3 109.751 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.63 -6.92 59.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 1.3999999999999999 109.69 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -0.99 7.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.107 -0.996 . . . . 1.6000000000000001 109.443 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 -2.93 87.56 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.218 -1.153 . . . . 1.5 110.218 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.84 23.91 1.12 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.303 . . . . 4.5499999999999998 109.6 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' D' ' 360' ' ' GLY . 52.4 mt-10 -46.61 110.03 1.15 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.386 -0.821 . . . . 5.6699999999999999 109.565 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.29 6.83 0.27 Allowed 'Trans proline' 0 N--CA 1.479 0.668 0 C-N-CA 120.792 0.995 . . . . 6.1200000000000001 110.248 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.043 -1.42 . . . . 7.2699999999999996 109.577 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.489 ' CG ' ' H ' ' A' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.347 -0.612 . . . . 7.6600000000000001 109.347 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 319' ' ' LYS . 29.5 mtmt 59.16 113.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.329 -0.857 . . . . 7.5099999999999998 109.479 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.586 ' C ' ' H ' ' A' ' 323' ' ' LEU . 63.5 mttm 54.3 70.33 1.75 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.308 -0.87 . . . . 6.8099999999999996 109.338 -179.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.06 24.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.154 1.903 . . . . 5.1500000000000004 110.749 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.586 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.5 mt -79.2 104.75 10.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.822 -1.174 . . . . 4.7000000000000002 109.029 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.567 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 21.0 m-20 -81.11 -145.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.468 -0.77 . . . . 2.48 109.984 -179.446 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 172.28 34.46 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.863 -1.295 . . . . 1.0800000000000001 109.863 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.01 135.61 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -1.064 . . . . 1.7 109.603 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.567 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 48.0 m-85 -94.01 155.11 17.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.391 -0.818 . . . . 1.04 109.517 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.504 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 88.1 m-85 -136.59 -170.0 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.742 . . . . 0.65000000000000002 109.162 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.65 150.42 30.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.285 -0.885 . . . . 1.1399999999999999 108.921 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -145.85 136.79 24.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.832 . . . . 1.0900000000000001 109.752 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 26.3 tp60 -84.68 129.68 34.8 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.89 114.72 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.46 -0.775 . . . . 1.1499999999999999 109.537 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.84 151.1 39.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.67 -0.644 . . . . 2.79 110.01 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.58 2.07 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.372 -1.091 . . . . 0.45000000000000001 110.372 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.525 ' NH1' ' HG2' ' A' ' 335' ' ' ARG . 3.7 tpt180 -78.57 -46.76 18.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.417 -1.049 . . . . 3.1600000000000001 108.974 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.31 -43.85 83.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.187 -0.945 . . . . 2.2200000000000002 108.842 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.79 -42.94 99.64 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.453 -0.779 . . . . 3.54 109.087 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.57 -57.3 12.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.5 109.774 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -52.02 -37.07 52.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.312 -0.868 . . . . 1.6599999999999999 109.72 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.3 -53.23 56.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.067 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.58 -43.96 97.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.34000000000000002 109.296 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.21 -43.33 61.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.876 . . . . 2.9399999999999999 109.312 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.39 -45.56 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 1.74 109.552 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.8 -44.57 96.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 109.253 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.95 -51.11 71.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.851 . . . . 1.22 109.37 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.79 -36.45 81.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 1.72 109.365 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.16 71.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.386 -0.822 . . . . 1.0700000000000001 109.565 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.16 -42.34 99.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 1.0800000000000001 109.35 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.42 -40.97 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 108.963 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.43 -42.2 98.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.277 -0.889 . . . . 1.1499999999999999 108.654 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.17 -46.48 88.75 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.639 -0.874 . . . . 2.1400000000000001 108.639 178.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -34.69 67.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.758 -0.588 . . . . 1.4299999999999999 109.42 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -26.72 67.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 1.3 109.244 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -83.49 -12.93 55.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.362 -0.836 . . . . 1.4199999999999999 109.339 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.25 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 1.5800000000000001 109.468 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.62 75.54 0.41 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.564 -1.414 . . . . 1.54 109.564 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -85.95 -75.05 0.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -1.107 . . . . 4.5499999999999998 109.087 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.554 ' C ' ' H ' ' A' ' 360' ' ' GLY . 28.8 mt-10 -51.7 158.03 1.72 Allowed Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.435 -0.79 . . . . 5.71 109.515 -179.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.4 8.34 0.12 Allowed 'Trans proline' 0 C--N 1.322 -0.829 0 C-N-CA 121.417 1.412 . . . . 6.0899999999999999 110.365 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.554 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 109.383 -1.487 . . . . 7.2400000000000002 109.383 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.479 ' CG ' ' H ' ' B' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.312 -0.625 . . . . 7.6699999999999999 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.479 ' H ' ' CG ' ' B' ' 319' ' ' LYS . 29.7 mtmt 59.04 113.9 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.898 . . . . 7.46 109.511 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' B' ' 323' ' ' LEU . 63.9 mttm 54.38 70.03 1.87 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.3 -0.875 . . . . 6.79 109.378 -179.21 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.07 24.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.967 0 C-N-CA 122.114 1.876 . . . . 5.1500000000000004 110.792 -179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.583 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.5 mt -79.21 104.7 10.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 4.6600000000000001 109.041 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.566 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 20.3 m-20 -81.34 -147.94 0.06 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 2.4700000000000002 109.913 -179.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -65.97 172.26 25.52 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.963 -1.255 . . . . 1.0600000000000001 109.963 -179.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.29 135.71 57.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 1.6100000000000001 109.591 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.566 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 47.6 m-85 -93.99 155.16 17.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 0.96999999999999997 109.43 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.523 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 87.8 m-85 -136.58 -169.88 2.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.473 -0.767 . . . . 0.59999999999999998 109.122 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.8 p -151.68 150.58 30.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.255 -0.903 . . . . 1.1000000000000001 108.952 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -145.98 136.72 24.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 1.1000000000000001 109.83 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 26.2 tp60 -84.66 129.68 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.57 -0.9 . . . . 1.3600000000000001 108.57 178.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.88 114.62 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.48 -0.762 . . . . 1.1699999999999999 109.55 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.69 151.13 39.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.703 -0.623 . . . . 2.79 110.166 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 133.35 2.0 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.314 -1.114 . . . . 0.47999999999999998 110.314 178.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.528 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 3.7 tpt180 -78.44 -46.64 19.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -1.04 . . . . 3.2200000000000002 108.981 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.32 -44.17 83.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.135 -0.978 . . . . 2.21 108.717 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.71 -42.75 99.37 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 3.5499999999999998 109.027 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.69 -57.34 12.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.592 -0.693 . . . . 0.52000000000000002 109.733 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.96 -37.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 1.6799999999999999 109.786 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.3 55.19 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.083 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.33000000000000002 109.356 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.29 -43.35 61.62 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.339 -0.85 . . . . 3.02 109.294 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.55 93.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.75 109.585 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.85 -44.49 96.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 109.225 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.01 -51.09 71.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.286 -0.884 . . . . 1.21 109.367 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -61.85 -36.36 80.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.309 -0.87 . . . . 1.6899999999999999 109.328 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.53 69.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 1.0600000000000001 109.61 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.07 -42.28 99.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 1.0800000000000001 109.413 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.3 -40.95 83.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 1.9299999999999999 109.011 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.7 -42.16 98.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.318 -0.864 . . . . 1.1399999999999999 108.754 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.99 -46.35 89.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.585 -0.894 . . . . 2.1899999999999999 108.585 178.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.98 67.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.725 -0.609 . . . . 1.4299999999999999 109.498 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.61 67.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 1.3100000000000001 109.195 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -83.47 -12.95 55.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 1.3999999999999999 109.348 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -85.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 1.5700000000000001 109.502 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.59 75.41 0.41 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.617 -1.393 . . . . 1.53 109.617 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -85.94 -74.96 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -1.083 . . . . 4.5800000000000001 109.057 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 360' ' ' GLY . 28.2 mt-10 -51.9 157.9 1.89 Allowed Pre-proline 0 C--N 1.302 -1.466 0 O-C-N 121.484 -0.76 . . . . 5.6799999999999997 109.377 -179.693 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.35 8.57 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.479 1.453 . . . . 6.0499999999999998 110.377 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.405 -1.478 . . . . 7.2000000000000002 109.405 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.479 ' CG ' ' H ' ' C' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.3 -0.63 . . . . 9.2200000000000006 109.3 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.479 ' H ' ' CG ' ' C' ' 319' ' ' LYS . 29.7 mtmt 59.13 114.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.321 -0.862 . . . . 8.5099999999999998 109.431 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.582 ' C ' ' H ' ' C' ' 323' ' ' LEU . 63.8 mttm 54.15 70.17 1.83 Allowed Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 7.4199999999999999 109.351 -179.379 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.0 24.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.318 -1.044 0 C-N-CA 122.128 1.886 . . . . 5.0499999999999998 110.757 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.582 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.7 mt -79.17 104.78 10.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.843 -1.16 . . . . 5.1399999999999997 109.02 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.549 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 21.6 m-20 -81.26 -146.14 0.06 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.488 -0.758 . . . . 2.8500000000000001 109.952 -179.357 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.92 172.29 33.39 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.872 -1.291 . . . . 1.27 109.872 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.19 135.51 57.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.387 -1.067 . . . . 2.1099999999999999 109.514 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.549 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 47.9 m-85 -93.94 155.07 17.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.91 . . . . 1.01 109.454 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.502 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 88.1 m-85 -136.58 -170.13 2.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.494 -0.754 . . . . 0.57999999999999996 109.175 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.54 150.67 30.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.277 -0.89 . . . . 1.1599999999999999 108.925 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -145.95 136.91 24.53 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.769 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 26.7 tp60 -84.72 129.62 34.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.583 -0.895 . . . . 1.8100000000000001 108.583 178.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.83 114.67 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.391 -0.818 . . . . 1.1299999999999999 109.539 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.75 150.93 39.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.589 -0.694 . . . . 2.8199999999999998 110.052 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.19 133.05 2.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.4 -1.08 . . . . 0.45000000000000001 110.4 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.522 ' NH1' ' HG2' ' C' ' 335' ' ' ARG . 3.7 tpt180 -78.13 -46.67 20.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -1.054 . . . . 3.0800000000000001 109.093 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.32 -44.18 83.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.957 . . . . 2.54 108.768 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -61.54 -42.95 99.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.418 -0.801 . . . . 4.1100000000000003 109.04 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -55.5 -57.41 12.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.551 -0.718 . . . . 0.56999999999999995 109.786 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -51.97 -36.96 51.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.717 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.34 -53.22 55.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.24 -0.913 . . . . 1.29 110.082 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.55 -43.95 97.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.40000000000000002 109.329 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.18 -43.39 61.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.311 -0.868 . . . . 3.8500000000000001 109.42 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.37 -45.51 93.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.78 109.608 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.233 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.99 -51.16 70.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.375 -0.828 . . . . 1.2 109.415 179.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.88 -36.31 80.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 2.1200000000000001 109.387 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.4 70.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 109.598 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.22 -42.27 99.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 1.1399999999999999 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -58.26 -41.08 83.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.377 -0.827 . . . . 2.0899999999999999 108.966 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.55 -42.11 98.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 1.3799999999999999 108.705 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -62.06 -46.38 89.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.571 -0.9 . . . . 2.6800000000000002 108.571 178.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.79 -34.71 67.91 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.726 -0.609 . . . . 1.3400000000000001 109.478 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -26.61 66.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 1.3 109.206 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -83.62 -12.96 55.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.248 -0.907 . . . . 1.8 109.312 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.2 -85.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.22 -0.925 . . . . 1.47 109.541 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.66 75.55 0.41 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.534 -1.427 . . . . 1.6599999999999999 109.534 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -86.0 -75.14 0.39 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -1.116 . . . . 4.7800000000000002 108.958 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' C' ' 360' ' ' GLY . 28.1 mt-10 -51.86 157.95 1.85 Allowed Pre-proline 0 C--N 1.303 -1.428 0 O-C-N 121.385 -0.822 . . . . 6.1900000000000004 109.448 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.26 8.42 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.467 1.444 . . . . 6.1799999999999997 110.368 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.388 -1.485 . . . . 6.9000000000000004 109.388 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.483 ' CG ' ' H ' ' D' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.312 -0.625 . . . . 7.6900000000000004 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.483 ' H ' ' CG ' ' D' ' 319' ' ' LYS . 29.5 mtmt 59.06 113.85 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -0.826 . . . . 7.4500000000000002 109.555 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.581 ' C ' ' H ' ' D' ' 323' ' ' LEU . 63.5 mttm 54.27 70.15 1.83 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.838 . . . . 6.8399999999999999 109.334 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.01 24.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.135 1.89 . . . . 5.1200000000000001 110.807 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.581 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.7 mt -79.09 104.61 9.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.85 -1.156 . . . . 4.6600000000000001 109.072 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.555 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 22.0 m-20 -81.21 -146.14 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.454 -0.779 . . . . 2.46 110.019 -179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 172.09 33.8 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.897 -1.281 . . . . 1.0800000000000001 109.897 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.0 135.66 57.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.406 -1.055 . . . . 1.6699999999999999 109.591 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.555 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 49.0 m-85 -93.99 155.06 17.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.344 -0.847 . . . . 1.01 109.422 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.495 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 87.6 m-85 -136.62 -169.93 2.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -0.755 . . . . 0.63 109.149 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.7 150.4 30.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.181 -0.949 . . . . 1.1299999999999999 108.989 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.1 tp -145.88 136.85 24.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 1.1000000000000001 109.766 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 26.2 tp60 -84.67 129.69 34.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.578 -0.897 . . . . 1.3700000000000001 108.578 178.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.6 mt -123.96 114.85 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.542 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.83 151.01 39.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.612 -0.68 . . . . 2.77 110.039 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.31 2.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.409 -1.076 . . . . 0.42999999999999999 110.409 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.522 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 3.7 tpt180 -78.22 -46.79 19.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.44 -1.035 . . . . 3.1200000000000001 109.077 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.28 -44.0 83.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 108.822 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.445 -0.784 . . . . 3.5 109.081 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.71 -57.27 12.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.544 -0.723 . . . . 0.5 109.689 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.94 -37.21 51.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.6899999999999999 109.662 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.17 57.24 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.17 -0.956 . . . . 1.1399999999999999 110.089 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.54 -43.91 98.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.32000000000000001 109.363 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -51.29 -43.4 61.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 2.96 109.339 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.6 92.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.319 -0.863 . . . . 1.75 109.574 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.79 -44.4 96.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.897 . . . . 1.0800000000000001 109.263 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.04 -51.12 71.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.22 109.311 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -61.94 -36.21 80.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 1.73 109.342 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -51.31 70.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.372 -0.83 . . . . 1.0700000000000001 109.598 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.06 -42.44 99.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.223 -0.923 . . . . 1.1100000000000001 109.392 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.32 -40.97 83.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.345 -0.847 . . . . 1.9099999999999999 108.96 179.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.52 -42.04 98.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 108.687 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.23 -46.5 88.57 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.594 -0.891 . . . . 2.1499999999999999 108.594 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.74 67.63 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.721 -0.612 . . . . 1.4399999999999999 109.413 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -26.71 66.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 1.3 109.178 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -83.58 -12.91 55.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 1.3999999999999999 109.329 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.28 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 1.6000000000000001 109.464 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.55 75.36 0.4 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.623 -1.391 . . . . 1.5 109.623 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -85.83 -75.05 0.39 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -1.139 . . . . 4.5499999999999998 109.086 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' D' ' 360' ' ' GLY . 28.3 mt-10 -51.79 157.93 1.81 Allowed Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.472 -0.767 . . . . 5.6699999999999999 109.382 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.27 8.57 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.484 1.456 . . . . 6.1200000000000001 110.368 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.559 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.302 -1.519 . . . . 7.2699999999999996 109.302 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 320' ' ' LYS . 61.3 mttm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.34 0.591 . . . . 7.6600000000000001 109.56 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 319' ' ' LYS . 75.0 tttt 56.26 105.29 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -0.846 . . . . 7.5099999999999998 109.907 179.57 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 323' ' ' LEU . 26.5 mmtm 50.44 70.96 1.71 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.374 -0.829 . . . . 6.8099999999999996 109.612 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.47 11.9 0.16 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.612 1.541 . . . . 5.1500000000000004 110.016 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.0 mt -80.22 54.08 1.9 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.242 -0.911 . . . . 4.7000000000000002 109.253 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 324' ' ' ASP . 0.8 OUTLIER -79.7 -135.21 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.661 -0.649 . . . . 2.48 109.542 -179.914 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.14 152.69 52.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.438 . . . . 1.0800000000000001 109.504 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -58.64 132.3 53.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -1.092 . . . . 1.7 109.531 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.85 157.63 16.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 1.04 109.458 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.8 -169.78 2.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.4 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.98 149.71 29.92 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.571 -0.9 . . . . 1.1399999999999999 108.571 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.27 133.29 24.22 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 1.0900000000000001 109.606 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -84.23 130.67 34.81 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.607 -0.886 . . . . 1.3700000000000001 108.607 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.93 117.0 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.465 -0.772 . . . . 1.1499999999999999 109.418 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.32 152.38 38.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.543 -0.723 . . . . 2.79 109.959 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 134.23 1.3 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.386 -1.086 . . . . 0.45000000000000001 110.386 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -80.45 -43.56 20.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.399 -1.059 . . . . 3.1600000000000001 109.134 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -58.77 -42.95 90.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.154 -0.966 . . . . 2.2200000000000002 108.911 179.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.18 -41.22 99.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.385 -0.822 . . . . 3.54 109.148 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -55.77 -55.72 29.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.561 -0.712 . . . . 0.5 109.73 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -51.59 -38.36 54.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.6599999999999999 109.823 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.39 -51.57 67.05 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.303 -0.873 . . . . 1.1499999999999999 109.971 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.1 -45.01 96.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.2 -0.937 . . . . 0.34000000000000002 108.959 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.49 -42.39 61.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 2.9399999999999999 109.416 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.38 -53.39 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.874 . . . . 1.74 109.631 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.91 -38.3 81.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 108.815 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.74 31.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.399 -0.813 . . . . 1.22 109.154 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.41 -31.71 72.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.39 -0.819 . . . . 1.72 109.356 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.56 -54.09 51.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 109.915 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.0 -44.83 96.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.253 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -58.57 -34.76 71.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 108.993 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.19 -50.5 67.85 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.968 -0.753 . . . . 1.1499999999999999 108.968 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.687 -0.857 . . . . 2.1400000000000001 108.687 179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.47 -32.08 64.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.205 -0.665 . . . . 1.4299999999999999 109.205 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.89 83.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.38 -0.825 . . . . 1.3 109.569 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.38 -5.03 57.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.287 -0.883 . . . . 1.4199999999999999 109.344 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.32 -1.84 11.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.218 -0.926 . . . . 1.5800000000000001 109.068 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.9 -79.03 0.54 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.429 -1.468 . . . . 1.54 109.429 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -82.89 124.94 30.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -1.139 . . . . 4.5499999999999998 109.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.73 148.96 6.51 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.314 -0.866 . . . . 5.71 108.985 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -52.01 146.63 29.05 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.098 1.199 . . . . 6.0899999999999999 110.01 179.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.976 -1.458 . . . . 7.2400000000000002 109.482 179.908 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 320' ' ' LYS . 61.4 mttm . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.309 0.576 . . . . 7.6699999999999999 109.515 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 319' ' ' LYS . 74.9 tttt 56.31 105.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 7.46 109.947 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' B' ' 323' ' ' LEU . 26.4 mmtm 50.41 70.86 1.77 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 6.79 109.669 179.611 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.36 11.9 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.576 1.517 . . . . 5.1500000000000004 110.042 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.0 mt -80.1 53.94 1.83 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 4.6600000000000001 109.22 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 0.8 OUTLIER -79.67 -135.54 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.701 -0.624 . . . . 2.4700000000000002 109.6 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.6 152.58 52.68 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.518 -1.433 . . . . 1.0600000000000001 109.518 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -58.63 132.25 53.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 1.6100000000000001 109.54 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -92.82 157.59 16.32 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.239 -0.913 . . . . 0.96999999999999997 109.434 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.82 -169.85 2.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.59999999999999998 109.319 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.92 149.92 30.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.579 -0.897 . . . . 1.1000000000000001 108.579 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -143.37 133.32 24.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.594 -178.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.17 130.59 34.83 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.85 117.0 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.427 -0.796 . . . . 1.1699999999999999 109.429 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.31 152.31 38.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.678 -0.639 . . . . 2.79 109.931 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.37 134.49 1.35 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.362 -1.095 . . . . 0.47999999999999998 110.362 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.67 -43.6 20.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.477 -1.014 . . . . 3.2200000000000002 109.035 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.68 -43.02 89.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.233 -0.917 . . . . 2.21 108.944 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.19 -41.12 99.14 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.345 -0.847 . . . . 3.5499999999999998 109.133 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -55.84 -55.59 30.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.454 -0.779 . . . . 0.52000000000000002 109.769 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -51.62 -38.49 54.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.729 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -62.26 -51.67 66.8 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.227 -0.921 . . . . 1.1499999999999999 110.052 -179.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.08 -44.88 96.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.108 -0.995 . . . . 0.33000000000000002 109.007 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -51.48 -42.61 61.76 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.201 -0.937 . . . . 3.02 109.447 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.1 -53.41 58.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.872 . . . . 1.75 109.748 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.86 -38.47 82.23 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 1.0700000000000001 108.821 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.68 31.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 1.21 109.118 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -31.78 73.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.827 . . . . 1.6899999999999999 109.361 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.97 52.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 1.0600000000000001 109.83 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.0 -44.86 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.226 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.54 -34.75 71.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.901 . . . . 1.9299999999999999 108.942 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.1 -50.46 68.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.49 -0.756 . . . . 1.1399999999999999 109.001 179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.29 -46.8 88.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.646 -0.872 . . . . 2.1899999999999999 108.646 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.1 64.58 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.187 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.01 84.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.3100000000000001 109.638 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.41 -5.06 57.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 1.3999999999999999 109.318 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.16 -2.03 11.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 1.5700000000000001 109.127 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.87 -78.81 0.55 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.458 -1.457 . . . . 1.53 109.458 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.03 124.93 30.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.308 -1.113 . . . . 4.5800000000000001 109.302 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.69 148.97 6.43 Favored Pre-proline 0 N--CA 1.488 1.475 0 O-C-N 121.287 -0.883 . . . . 5.6799999999999997 109.066 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -52.06 146.18 31.02 Favored 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 121.077 1.185 . . . . 6.0499999999999998 110.085 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.941 -1.477 . . . . 7.2000000000000002 109.552 179.954 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.337 0.589 . . . . 9.2200000000000006 109.521 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 56.18 105.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.295 -0.878 . . . . 8.5099999999999998 109.956 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' C' ' 323' ' ' LEU . 26.6 mmtm 50.4 70.92 1.74 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 7.4199999999999999 109.678 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.34 11.93 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.617 1.545 . . . . 5.0499999999999998 110.072 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.529 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.0 mt -80.12 53.9 1.83 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 5.1399999999999997 109.304 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 0.8 OUTLIER -79.67 -135.36 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.625 -0.672 . . . . 2.8500000000000001 109.593 -179.88 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.97 152.72 52.68 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.502 -1.439 . . . . 1.27 109.502 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -58.67 132.3 53.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.346 -1.091 . . . . 2.1099999999999999 109.536 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -92.92 157.62 16.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 1.01 109.505 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.78 -169.78 2.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.435 -0.791 . . . . 0.57999999999999996 109.354 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -150.95 149.75 29.99 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.552 -0.907 . . . . 1.1599999999999999 108.552 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.22 133.27 24.28 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 1.1699999999999999 109.657 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.25 130.55 34.81 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.576 -0.898 . . . . 1.8100000000000001 108.576 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -122.8 116.93 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.501 -0.75 . . . . 1.1299999999999999 109.409 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.31 152.34 38.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.665 . . . . 2.8199999999999998 109.949 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 134.25 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.289 -1.124 . . . . 0.45000000000000001 110.289 179.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -80.46 -43.74 20.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -1.02 . . . . 3.0800000000000001 109.114 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -58.72 -42.81 89.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.214 -0.929 . . . . 2.54 108.93 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.352 -0.843 . . . . 4.1100000000000003 109.094 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -55.74 -55.74 28.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.437 -0.79 . . . . 0.56999999999999995 109.747 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.54 -38.52 54.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.6599999999999999 109.784 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.24 -51.73 66.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.368 -0.833 . . . . 1.29 109.992 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -44.83 96.85 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.40000000000000002 109.091 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.51 -42.42 61.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 3.8500000000000001 109.442 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.33 -53.36 58.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.78 109.738 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.97 -38.21 81.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.197 -0.939 . . . . 1.1699999999999999 108.917 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -58.92 -55.74 31.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.317 -0.864 . . . . 1.2 109.106 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.43 -31.72 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.36 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.09 50.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 1.0700000000000001 109.882 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.05 -44.75 96.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.232 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -58.63 -34.64 71.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.007 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.16 -50.41 68.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.45 -0.781 . . . . 1.3799999999999999 108.936 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.43 -46.65 89.28 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.647 -0.872 . . . . 2.6800000000000002 108.647 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.57 -31.96 64.73 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.212 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.11 83.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.396 -0.815 . . . . 1.3 109.569 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.22 -5.14 57.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.91 . . . . 1.8 109.388 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -1.89 11.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.909 . . . . 1.47 109.048 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.8 -79.07 0.54 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.404 -1.479 . . . . 1.6599999999999999 109.404 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -83.03 124.95 30.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.309 -1.112 . . . . 4.7800000000000002 109.303 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -50.75 149.08 6.43 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.301 -0.874 . . . . 6.1900000000000004 108.999 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -52.16 146.31 31.31 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.083 1.189 . . . . 6.1799999999999997 110.041 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.514 -1.434 . . . . 6.9000000000000004 109.514 179.986 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 61.4 mttm . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.379 0.609 . . . . 7.6900000000000004 109.599 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 56.23 105.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 7.4500000000000002 109.981 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.541 ' C ' ' H ' ' D' ' 323' ' ' LEU . 26.6 mmtm 50.44 71.0 1.69 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.315 -0.866 . . . . 6.8399999999999999 109.641 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.42 11.89 0.16 Allowed 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 121.6 1.533 . . . . 5.1200000000000001 109.986 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.8 mt -80.15 53.9 1.84 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.935 . . . . 4.6600000000000001 109.279 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 0.8 OUTLIER -79.74 -135.28 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.575 -0.703 . . . . 2.46 109.581 -179.854 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.97 152.57 52.6 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.422 -1.471 . . . . 1.0800000000000001 109.422 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.68 132.22 53.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.349 -1.089 . . . . 1.6699999999999999 109.53 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -92.78 157.55 16.36 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -0.866 . . . . 1.01 109.536 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.68 -169.6 2.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.383 -0.823 . . . . 0.63 109.365 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.5 p -151.07 149.82 29.97 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.459 -0.941 . . . . 1.1299999999999999 108.459 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -143.36 133.3 24.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.334 -0.854 . . . . 1.1000000000000001 109.611 -178.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.3 130.67 34.79 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.634 -0.876 . . . . 1.3700000000000001 108.634 179.054 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.0 mt -122.94 116.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.47 -0.769 . . . . 1.1499999999999999 109.419 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.2 152.43 38.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.57 -0.706 . . . . 2.77 109.969 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.24 134.46 1.31 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.297 -1.121 . . . . 0.42999999999999999 110.297 179.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.64 -43.56 20.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -1.008 . . . . 3.1200000000000001 109.094 179.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.75 -43.0 90.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.866 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -63.23 -41.2 99.06 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.427 -0.796 . . . . 3.5 109.085 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -55.68 -55.65 29.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.436 -0.79 . . . . 0.5 109.829 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -51.63 -38.46 54.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 1.6899999999999999 109.782 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.33 -51.62 66.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.307 -0.87 . . . . 1.1399999999999999 109.941 -179.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.06 -44.85 96.77 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.169 -0.957 . . . . 0.32000000000000001 109.027 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.61 -42.42 61.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.32 -0.862 . . . . 2.96 109.414 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.29 -53.38 58.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.844 . . . . 1.75 109.693 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.98 -38.29 82.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 1.0800000000000001 108.819 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.01 -55.63 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.818 . . . . 1.22 109.095 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.38 -31.86 73.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.73 109.373 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.89 53.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 109.916 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.99 -44.91 96.72 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.216 -0.928 . . . . 1.1100000000000001 109.247 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -58.52 -34.79 71.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 1.9099999999999999 108.947 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.01 -50.59 67.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.472 -0.767 . . . . 1.1699999999999999 109.047 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -60.28 -46.74 88.77 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.6 -0.889 . . . . 2.1499999999999999 108.6 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.07 64.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.595 -0.69 . . . . 1.4399999999999999 109.228 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.99 83.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.886 . . . . 1.3 109.54 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.23 -5.18 57.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.372 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -1.93 11.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 1.6000000000000001 109.097 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.91 -78.83 0.56 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.54 -1.424 . . . . 1.5 109.54 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.97 124.81 30.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.275 -1.133 . . . . 4.5499999999999998 109.349 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.64 149.06 6.27 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.303 -0.873 . . . . 5.6699999999999999 109.009 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -52.1 146.25 31.07 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.015 1.144 . . . . 6.1200000000000001 110.079 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 CA-C-O 117.948 -1.473 . . . . 7.2699999999999996 109.505 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 321' ' ' LYS . 97.4 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.486 -0.561 . . . . 7.6600000000000001 109.486 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 322' ' ' PRO . 13.8 tptm 66.79 -10.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.49 -0.756 . . . . 7.5099999999999998 110.354 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' A' ' 319' ' ' LYS . 19.1 mtpp 16.89 -79.74 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.53 0 CA-C-O 118.163 -0.922 . . . . 6.8099999999999996 112.472 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.505 ' N ' ' O ' ' A' ' 320' ' ' LYS . 5.9 Cg_exo -50.54 123.71 11.9 Favored 'Trans proline' 0 C--O 1.215 -0.662 0 CA-C-N 120.446 1.195 . . . . 5.1500000000000004 110.219 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.8 mt -81.07 139.76 35.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 4.7000000000000002 109.197 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.703 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 7.4 m-20 -79.71 -146.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.95 . . . . 2.48 109.606 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 166.74 45.4 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.623 -1.391 . . . . 1.0800000000000001 109.623 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.4 134.36 56.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -1.112 . . . . 1.7 109.562 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.703 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 56.3 m-85 -94.11 159.39 15.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 1.04 109.732 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.39 -168.94 2.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.438 -0.789 . . . . 0.65000000000000002 109.402 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.73 146.96 26.14 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.138 -0.976 . . . . 1.1399999999999999 109.105 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -141.01 137.11 32.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.352 -0.842 . . . . 1.0900000000000001 109.894 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.49 132.74 33.92 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.056 -0.72 . . . . 1.3700000000000001 109.056 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.52 114.44 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.437 -0.789 . . . . 1.1499999999999999 108.982 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.18 146.64 43.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.524 -0.735 . . . . 2.79 109.812 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.56 139.73 8.7 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.862 -1.295 . . . . 0.45000000000000001 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.64 -52.73 6.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -1.109 . . . . 3.1600000000000001 109.477 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.04 -35.56 71.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.365 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.52 -40.88 96.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.366 -0.834 . . . . 3.54 109.369 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.93 -53.54 55.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.587 -0.695 . . . . 0.5 109.922 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.87 62.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 109.997 -179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.32 -52.28 64.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.266 -0.897 . . . . 1.1499999999999999 109.992 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.52 -43.8 98.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.34000000000000002 108.812 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.582 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.2 OUTLIER -51.73 -40.9 61.03 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.408 -0.807 . . . . 2.9399999999999999 109.289 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.42 -52.94 63.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 1.74 109.695 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.11 -38.45 83.02 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.128 -0.983 . . . . 1.0700000000000001 108.529 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.3 -55.18 38.34 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.441 -0.787 . . . . 1.22 109.188 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.13 -32.21 73.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 1.72 109.348 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.66 68.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 1.0700000000000001 109.611 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.57 -43.55 98.66 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 1.0800000000000001 109.493 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.41 -36.02 77.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.391 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.45 -51.96 60.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.2 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.74 -44.69 96.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 2.1400000000000001 109.08 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -57.99 -34.52 70.07 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.619 -0.675 . . . . 1.4299999999999999 109.574 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.48 74.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 1.3 109.983 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.1 -8.33 59.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.219 -0.926 . . . . 1.4199999999999999 109.735 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.34 -15.27 61.88 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.165 -0.959 . . . . 1.5800000000000001 109.318 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 24.24 7.68 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.533 -1.427 . . . . 1.54 109.533 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.4 124.61 32.19 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -1.162 . . . . 4.5499999999999998 109.648 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.33 3.41 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 5.71 109.115 -179.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.31 3.97 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 121.004 1.136 . . . . 6.0899999999999999 110.203 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.581 -1.408 . . . . 7.2400000000000002 109.581 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' C ' ' H ' ' B' ' 321' ' ' LYS . 97.3 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.446 -0.575 . . . . 7.6699999999999999 109.446 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' B' ' 322' ' ' PRO . 13.8 tptm 66.78 -10.71 0.28 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.521 -0.737 . . . . 7.46 110.252 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' B' ' 319' ' ' LYS . 19.1 mtpp 16.93 -79.76 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.537 0 CA-C-O 118.139 -0.934 . . . . 6.79 112.458 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' B' ' 320' ' ' LYS . 6.0 Cg_exo -50.58 123.75 12.01 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 CA-C-N 120.361 1.165 . . . . 5.1500000000000004 110.238 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.11 139.72 35.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 4.6600000000000001 109.167 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.719 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 7.4 m-20 -79.69 -146.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 2.4700000000000002 109.602 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 166.86 45.33 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.652 -1.379 . . . . 1.0600000000000001 109.652 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.49 134.33 56.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.248 -1.148 . . . . 1.6100000000000001 109.543 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.719 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 56.3 m-85 -94.06 159.48 15.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.271 -0.893 . . . . 0.96999999999999997 109.785 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.43 -168.94 2.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.403 -0.811 . . . . 0.59999999999999998 109.361 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.7 147.05 26.24 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 1.1000000000000001 109.059 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -141.14 137.07 32.48 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.38 -0.825 . . . . 1.1000000000000001 109.858 -178.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.58 132.81 33.93 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.974 -0.75 . . . . 1.3600000000000001 108.974 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.53 114.4 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.455 -0.778 . . . . 1.1699999999999999 108.991 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.14 146.72 43.27 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.592 -0.693 . . . . 2.79 109.893 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.58 139.69 8.68 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.883 -1.287 . . . . 0.47999999999999998 109.883 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -82.67 -52.71 6.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -1.076 . . . . 3.2200000000000002 109.461 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.17 -35.46 71.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 2.21 109.349 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.64 -40.78 96.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.321 -0.862 . . . . 3.5499999999999998 109.365 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -55.92 -53.6 54.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.606 -0.684 . . . . 0.52000000000000002 109.899 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.54 -36.75 62.15 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.328 -0.857 . . . . 1.6799999999999999 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -52.23 64.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.199 -0.938 . . . . 1.1499999999999999 109.947 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.79 98.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.33000000000000002 108.799 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.582 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.87 60.91 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.376 -0.828 . . . . 3.02 109.373 179.666 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -52.97 62.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.3 -0.875 . . . . 1.75 109.683 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -59.98 -38.57 82.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 108.572 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.19 -55.21 37.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.536 -0.727 . . . . 1.21 109.221 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.19 -32.12 73.43 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.314 -0.866 . . . . 1.6899999999999999 109.283 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.66 68.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.363 -0.836 . . . . 1.0600000000000001 109.547 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.55 -43.68 98.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.361 -0.837 . . . . 1.0800000000000001 109.466 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.27 -36.04 76.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.416 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.5 -51.91 60.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 1.1399999999999999 109.228 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.73 -44.71 96.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 2.1899999999999999 109.084 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.96 -34.54 70.03 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.549 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.38 74.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.192 -0.942 . . . . 1.3100000000000001 109.927 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.17 -8.39 59.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.07 -1.019 . . . . 1.3999999999999999 109.708 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -15.24 61.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.114 -0.991 . . . . 1.5700000000000001 109.283 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 24.32 7.78 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.48 -1.448 . . . . 1.53 109.48 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.35 124.59 32.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -1.187 . . . . 4.5800000000000001 109.701 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' B' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.27 3.45 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 5.6799999999999997 109.123 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.26 3.98 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 121.046 1.164 . . . . 6.0499999999999998 110.21 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 117.946 -1.475 . . . . 7.2000000000000002 109.5 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' C' ' 321' ' ' LYS . 97.4 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.544 -0.539 . . . . 9.2200000000000006 109.544 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' C' ' 322' ' ' PRO . 13.9 tptm 66.82 -10.74 0.28 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.533 -0.73 . . . . 8.5099999999999998 110.273 179.628 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' C' ' 319' ' ' LYS . 19.1 mtpp 16.96 -79.82 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.491 0 CA-C-O 118.211 -0.9 . . . . 7.4199999999999999 112.428 -179.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' C' ' 320' ' ' LYS . 6.0 Cg_exo -50.55 123.76 12.0 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 CA-C-N 120.354 1.162 . . . . 5.0499999999999998 110.167 179.509 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -81.18 139.75 35.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 5.1399999999999997 109.169 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.693 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 7.4 m-20 -79.76 -146.59 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.136 -0.978 . . . . 2.8500000000000001 109.591 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 166.9 45.17 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.647 -1.381 . . . . 1.27 109.647 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.56 134.31 56.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -1.127 . . . . 2.1099999999999999 109.552 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.693 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 56.7 m-85 -93.99 159.43 15.17 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.278 -0.889 . . . . 1.01 109.737 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.43 -168.98 2.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.354 -0.841 . . . . 0.57999999999999996 109.354 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.65 147.04 26.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.251 -0.905 . . . . 1.1599999999999999 109.069 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.18 137.07 32.4 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.401 -0.812 . . . . 1.1699999999999999 109.855 -178.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.53 132.72 33.94 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.031 -0.729 . . . . 1.8100000000000001 109.031 179.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 114.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.523 -0.736 . . . . 1.1299999999999999 109.049 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.11 146.7 43.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.551 -0.718 . . . . 2.8199999999999998 109.885 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 139.69 8.64 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.931 -1.268 . . . . 0.45000000000000001 109.931 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.66 -52.71 6.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.327 -1.102 . . . . 3.0800000000000001 109.512 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.07 -35.55 71.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.54 109.416 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.54 -40.81 96.28 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.301 -0.874 . . . . 4.1100000000000003 109.385 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.96 -53.59 55.08 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.506 -0.746 . . . . 0.56999999999999995 109.864 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.5 -36.79 62.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 1.6599999999999999 110.01 -179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.47 -52.16 64.62 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.209 -0.932 . . . . 1.29 109.956 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.86 98.09 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.40000000000000002 108.825 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.6 -40.96 60.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.347 -0.846 . . . . 3.8500000000000001 109.382 179.598 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.35 -52.95 63.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 1.78 109.702 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.18 -38.44 83.26 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.173 -0.954 . . . . 1.1699999999999999 108.502 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.08 -55.35 36.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.521 -0.737 . . . . 1.2 109.257 179.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.05 -32.19 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.346 -0.846 . . . . 2.1200000000000001 109.347 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.69 68.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 1.0700000000000001 109.515 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.0 mt -61.49 -43.72 98.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.384 -0.822 . . . . 1.1399999999999999 109.432 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.33 -35.98 76.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.297 -0.877 . . . . 2.0899999999999999 109.383 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.47 -52.03 60.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.373 -0.829 . . . . 1.3799999999999999 109.207 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.66 -44.7 96.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.343 -0.848 . . . . 2.6800000000000002 109.11 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -58.03 -34.47 70.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.596 -0.69 . . . . 1.3400000000000001 109.554 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.37 74.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 1.3 109.984 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.13 -8.47 59.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.096 -1.002 . . . . 1.8 109.667 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -15.31 61.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -0.969 . . . . 1.47 109.266 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 24.3 7.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.498 -1.441 . . . . 1.6599999999999999 109.498 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -85.39 124.62 32.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.2 -1.176 . . . . 4.7800000000000002 109.676 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' C' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.34 3.41 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 6.1900000000000004 109.133 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.27 3.92 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 121.065 1.177 . . . . 6.1799999999999997 110.223 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.963 -1.465 . . . . 6.9000000000000004 109.501 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' D' ' 321' ' ' LYS . 97.3 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.453 -0.573 . . . . 7.6900000000000004 109.453 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' D' ' 322' ' ' PRO . 13.9 tptm 66.76 -10.69 0.28 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.481 -0.762 . . . . 7.4500000000000002 110.367 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.544 ' H ' ' C ' ' D' ' 319' ' ' LYS . 19.1 mtpp 16.9 -79.73 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.491 0 CA-C-O 118.259 -0.877 . . . . 6.8399999999999999 112.553 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' D' ' 320' ' ' LYS . 5.9 Cg_exo -50.56 123.74 11.98 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 CA-C-N 120.35 1.161 . . . . 5.1200000000000001 110.269 179.384 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.19 139.76 35.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.357 -0.839 . . . . 4.6600000000000001 109.183 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.713 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 7.5 m-20 -79.72 -146.58 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 2.46 109.572 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 166.88 45.43 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.637 -1.385 . . . . 1.0800000000000001 109.637 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -58.53 134.33 56.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.299 -1.118 . . . . 1.6699999999999999 109.447 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.713 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 56.6 m-85 -94.03 159.38 15.19 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 1.01 109.738 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.35 -168.97 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.458 -0.776 . . . . 0.63 109.441 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.71 147.02 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.134 -0.979 . . . . 1.1299999999999999 108.997 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.2 tp -141.1 137.05 32.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.356 -0.84 . . . . 1.1000000000000001 109.833 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.51 132.74 33.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.492 -0.755 . . . . 1.3700000000000001 109.073 179.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.5 114.33 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.43 -0.794 . . . . 1.1499999999999999 109.025 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.21 146.81 43.06 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.576 -0.702 . . . . 2.77 109.831 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.54 139.72 8.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.914 -1.274 . . . . 0.42999999999999999 109.914 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -82.72 -52.68 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -1.069 . . . . 3.1200000000000001 109.396 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.21 -35.43 71.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.38 -0.825 . . . . 2.2200000000000002 109.356 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.66 -40.77 96.02 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.354 -0.841 . . . . 3.5 109.345 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.95 -53.56 55.39 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.656 -0.653 . . . . 0.5 109.912 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.77 62.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.373 -0.829 . . . . 1.6899999999999999 110.018 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -62.46 -52.29 64.09 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 109.868 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -43.77 98.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.13 -0.981 . . . . 0.32000000000000001 108.816 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.583 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.89 60.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.4 -0.812 . . . . 2.96 109.362 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.39 -53.0 62.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.208 -0.932 . . . . 1.75 109.712 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.97 -38.56 82.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.14 -0.975 . . . . 1.0800000000000001 108.598 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.21 -55.2 38.07 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.483 -0.761 . . . . 1.22 109.22 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -63.04 -32.31 73.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.479 -0.763 . . . . 1.73 109.336 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.69 68.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.575 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.44 -43.73 98.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.389 -0.819 . . . . 1.1100000000000001 109.5 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.3 -35.95 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.491 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.49 -51.99 60.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 1.1699999999999999 109.197 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.72 -44.75 96.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.372 -0.83 . . . . 2.1499999999999999 109.077 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.94 -34.51 69.96 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.549 -0.719 . . . . 1.4399999999999999 109.615 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.44 74.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.3 109.98 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.16 -8.39 59.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.061 -1.024 . . . . 1.3999999999999999 109.681 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -15.3 61.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 1.6000000000000001 109.318 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 24.4 7.54 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.557 -1.417 . . . . 1.5 109.557 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -85.44 124.61 32.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.133 -1.216 . . . . 4.5499999999999998 109.666 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' D' ' 360' ' ' GLY . 3.7 pt-20 -51.16 153.31 3.4 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.308 -0.87 . . . . 5.6699999999999999 109.128 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.26 3.99 0.21 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 121.09 1.193 . . . . 6.1200000000000001 110.181 179.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.501 -1.44 . . . . 7.2699999999999996 109.501 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.509 -0.552 . . . . 7.6600000000000001 109.509 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 321' ' ' LYS . 78.3 tttt 56.91 54.79 6.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 7.5099999999999998 108.838 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 3.3 pttt 62.27 147.79 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.652 0 N-CA-C 108.656 -0.868 . . . . 6.8099999999999996 108.656 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.86 166.26 12.5 Favored 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 121.167 1.245 . . . . 5.1500000000000004 109.886 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.98 112.93 18.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.94 . . . . 4.7000000000000002 108.891 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -79.92 -122.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 2.48 109.881 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 160.62 51.17 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.867 -1.293 . . . . 1.0800000000000001 109.867 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.83 134.94 57.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.371 -1.076 . . . . 1.7 109.567 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.38 15.7 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.27 -0.894 . . . . 1.04 109.566 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -136.73 -169.37 2.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.831 . . . . 0.65000000000000002 109.59 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.0 146.21 26.07 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.53 -0.915 . . . . 1.1399999999999999 108.53 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.85 136.85 32.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 1.0900000000000001 109.696 -178.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.42 132.04 34.29 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.3700000000000001 108.57 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.03 114.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.398 -0.814 . . . . 1.1499999999999999 109.418 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.97 143.13 43.78 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.51 -0.744 . . . . 2.79 109.768 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 140.86 9.48 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 110.154 -1.178 . . . . 0.45000000000000001 110.154 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -85.17 -50.4 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 3.1600000000000001 109.378 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.84 -39.29 71.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.191 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.476 -0.765 . . . . 3.54 109.571 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -58.05 9.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.548 -0.72 . . . . 0.5 110.208 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 335' ' ' ARG . 4.3 mp0 -51.26 -36.55 42.62 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.033 -1.042 . . . . 1.6599999999999999 109.897 -179.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.04 58.38 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 110.163 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -43.13 99.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.34000000000000002 108.905 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.76 -42.63 62.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.253 -0.904 . . . . 2.9399999999999999 109.4 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.49 -54.46 46.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.312 -0.868 . . . . 1.74 110.018 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.12 -38.17 82.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.215 -0.928 . . . . 1.0700000000000001 108.658 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.59 -53.7 55.06 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.52 -0.737 . . . . 1.22 109.546 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -63.05 -34.34 77.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 1.72 109.807 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.55 73.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.031 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.14 99.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 109.475 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.86 -35.7 73.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.013 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.42 -48.07 79.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.415 -0.803 . . . . 1.1499999999999999 109.08 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.444 ' HZ3' ' CD ' ' B' ' 346' ' ' GLU . 15.4 ttmm -60.64 -39.65 89.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.247 -0.908 . . . . 2.1400000000000001 108.672 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.08 -47.41 81.08 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.322 -0.621 . . . . 1.4299999999999999 109.322 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.96 68.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -0.779 . . . . 1.3 109.424 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -81.88 -5.05 57.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 1.4199999999999999 109.295 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -80.35 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.226 -0.921 . . . . 1.5800000000000001 109.318 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.53 63.19 2.27 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.57 -1.412 . . . . 1.54 109.57 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -84.97 23.66 1.18 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -1.183 . . . . 4.5499999999999998 109.397 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -50.03 153.09 2.47 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 5.71 108.902 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.0 148.2 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 120.988 1.125 . . . . 6.0899999999999999 109.791 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.992 -1.449 . . . . 7.2400000000000002 109.52 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.204 0.526 . . . . 7.6699999999999999 109.607 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 321' ' ' LYS . 78.2 tttt 56.75 54.79 6.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.204 -0.935 . . . . 7.46 108.911 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 3.3 pttt 62.27 147.89 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.565 -0.902 . . . . 6.79 108.565 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -61.9 166.25 12.6 Favored 'Trans proline' 0 N--CA 1.48 0.704 0 C-N-CA 121.114 1.209 . . . . 5.1500000000000004 109.911 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.02 112.84 18.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 4.6600000000000001 108.943 179.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -79.85 -123.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.143 -0.973 . . . . 2.4700000000000002 109.84 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.12 160.62 50.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.952 -1.259 . . . . 1.0600000000000001 109.952 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.86 134.91 57.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.317 -1.107 . . . . 1.6100000000000001 109.528 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -93.63 158.46 15.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.209 -0.932 . . . . 0.96999999999999997 109.649 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.81 -169.44 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.439 -0.788 . . . . 0.59999999999999998 109.553 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.05 146.11 25.96 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.535 -0.913 . . . . 1.1000000000000001 108.535 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -140.76 136.79 32.87 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.359 -0.838 . . . . 1.1000000000000001 109.745 -178.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -85.35 132.1 34.29 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.541 -0.911 . . . . 1.3600000000000001 108.541 179.137 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.08 114.17 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.453 -0.779 . . . . 1.1699999999999999 109.336 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.12 143.23 43.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.562 -0.711 . . . . 2.79 109.77 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.89 9.45 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.165 -1.174 . . . . 0.47999999999999998 110.165 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.566 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -85.04 -50.52 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.462 -1.022 . . . . 3.2200000000000002 109.52 179.794 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.8 -39.24 71.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 2.21 109.213 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.32 -40.53 96.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.434 -0.791 . . . . 3.5499999999999998 109.63 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.52 -57.95 9.79 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.551 -0.718 . . . . 0.52000000000000002 110.229 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' B' ' 335' ' ' ARG . 4.3 mp0 -51.31 -36.56 43.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.029 -1.044 . . . . 1.6799999999999999 109.902 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.1 ttp -63.44 -53.04 58.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.141 -0.974 . . . . 1.1499999999999999 110.201 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.96 -43.18 99.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.33000000000000002 108.93 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -51.69 -42.68 62.37 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.304 -0.872 . . . . 3.02 109.408 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.46 -54.44 46.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.75 110.028 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.1 -38.27 82.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 108.67 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.53 -53.68 55.28 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.444 -0.785 . . . . 1.21 109.528 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.444 ' CD ' ' HZ3' ' A' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.23 77.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.381 -0.825 . . . . 1.6899999999999999 109.755 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.67 73.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.229 -0.919 . . . . 1.0600000000000001 109.952 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.4 -43.32 99.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 1.0800000000000001 109.458 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.75 -35.51 72.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.9299999999999999 109.083 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.57 -48.02 79.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.527 -0.733 . . . . 1.1399999999999999 109.067 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.75 -39.57 89.21 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.259 -0.901 . . . . 2.1899999999999999 108.611 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 352' ' ' ASP . 5.8 m-20 -57.04 -47.41 81.01 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.307 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.94 68.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 1.3100000000000001 109.356 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -81.9 -4.95 57.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.249 -0.907 . . . . 1.3999999999999999 109.28 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.56 -80.34 0.05 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.5700000000000001 109.243 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.57 63.28 2.28 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.53 -1.428 . . . . 1.53 109.53 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -85.01 23.67 1.19 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -1.131 . . . . 4.5800000000000001 109.431 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -50.07 153.12 2.48 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.373 -0.829 . . . . 5.6799999999999997 108.864 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.02 148.14 59.93 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.946 1.097 . . . . 6.0499999999999998 109.818 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.952 -1.471 . . . . 7.2000000000000002 109.58 179.92 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.535 -0.543 . . . . 9.2200000000000006 109.535 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 321' ' ' LYS . 78.3 tttt 56.88 54.83 6.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 8.5099999999999998 108.828 -179.586 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 320' ' ' LYS . 3.3 pttt 62.16 147.84 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.675 0 N-CA-C 108.645 -0.872 . . . . 7.4199999999999999 108.645 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.9 166.2 12.7 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 121.208 1.272 . . . . 5.0499999999999998 109.925 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.94 112.85 18.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 5.1399999999999997 108.891 179.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -79.91 -122.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 2.8500000000000001 109.927 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.32 160.62 50.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.875 -1.29 . . . . 1.27 109.875 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.87 134.99 57.39 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.406 -1.055 . . . . 2.1099999999999999 109.566 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -93.73 158.38 15.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.226 -0.921 . . . . 1.01 109.596 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.78 -169.4 2.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.382 -0.824 . . . . 0.57999999999999996 109.503 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.06 146.17 26.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.489 -0.93 . . . . 1.1599999999999999 108.489 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.75 136.8 32.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 1.1699999999999999 109.751 -178.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.38 132.08 34.29 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.546 -0.909 . . . . 1.8100000000000001 108.546 179.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.06 114.09 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.409 -0.807 . . . . 1.1299999999999999 109.37 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.03 143.22 43.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.567 -0.708 . . . . 2.8199999999999998 109.758 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.84 9.43 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.171 -1.172 . . . . 0.45000000000000001 110.171 179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.559 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.4 OUTLIER -85.06 -50.47 7.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.415 -1.05 . . . . 3.0800000000000001 109.474 179.799 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.77 -39.31 71.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 2.54 109.223 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.24 -40.61 96.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.406 -0.809 . . . . 4.1100000000000003 109.558 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -57.98 9.64 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.542 -0.724 . . . . 0.56999999999999995 110.257 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' C' ' 335' ' ' ARG . 4.3 mp0 -51.35 -36.48 43.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.061 -1.024 . . . . 1.6599999999999999 109.846 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.1 57.48 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.151 -0.968 . . . . 1.29 110.157 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.98 -43.11 99.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.118 -0.989 . . . . 0.40000000000000002 108.884 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.77 -42.66 62.57 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 3.8500000000000001 109.303 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.54 -54.4 46.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 1.78 110.011 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.12 -38.18 82.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.952 . . . . 1.1699999999999999 108.701 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.75 54.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.468 -0.77 . . . . 1.2 109.477 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.485 ' CD ' ' HZ3' ' D' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.14 76.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.415 -0.803 . . . . 2.1200000000000001 109.795 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -50.58 73.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 109.958 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.188 -0.945 . . . . 1.1399999999999999 109.459 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -35.61 73.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 2.0899999999999999 109.051 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.51 -48.07 79.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 1.3799999999999999 109.047 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.67 -39.58 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.564 -0.902 . . . . 2.6800000000000002 108.564 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.11 -47.37 81.23 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.446 0.641 . . . . 1.3400000000000001 109.278 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -28.99 68.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.397 -0.815 . . . . 1.3 109.393 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -81.86 -4.97 57.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 1.8 109.347 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.51 -80.32 0.05 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.207 -0.933 . . . . 1.47 109.297 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.5 63.23 2.25 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.539 -1.424 . . . . 1.6599999999999999 109.539 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -85.01 23.62 1.2 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -1.108 . . . . 4.7800000000000002 109.433 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -49.92 153.05 2.38 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 6.1900000000000004 108.891 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.05 148.14 60.25 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.053 1.169 . . . . 6.1799999999999997 109.743 179.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.962 -1.466 . . . . 6.9000000000000004 109.556 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.254 0.549 . . . . 7.6900000000000004 109.531 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' D' ' 321' ' ' LYS . 78.2 tttt 56.89 54.7 6.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.149 -0.97 . . . . 7.4500000000000002 108.908 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' D' ' 320' ' ' LYS . 3.3 pttt 62.26 147.93 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.651 -0.87 . . . . 6.8399999999999999 108.651 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.92 166.26 12.63 Favored 'Trans proline' 0 C--O 1.214 -0.69 0 C-N-CA 121.146 1.231 . . . . 5.1200000000000001 109.969 179.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.02 112.85 18.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.893 . . . . 4.6600000000000001 108.965 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -79.9 -122.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 2.46 109.873 -179.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.37 160.56 51.12 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.859 -1.297 . . . . 1.0800000000000001 109.859 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.76 134.93 57.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -1.049 . . . . 1.6699999999999999 109.536 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.36 15.71 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.276 -0.89 . . . . 1.01 109.525 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.78 -169.47 2.48 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.373 -0.83 . . . . 0.63 109.63 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -150.99 146.27 26.11 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.437 -0.949 . . . . 1.1299999999999999 108.437 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.0 tp -140.79 136.74 32.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 1.1000000000000001 109.796 -178.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.46 132.0 34.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.592 -0.892 . . . . 1.3700000000000001 108.592 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.0 114.14 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.37 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.96 143.19 43.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.669 -0.645 . . . . 2.77 109.779 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 140.89 9.47 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.118 -1.193 . . . . 0.42999999999999999 110.118 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -85.13 -50.6 7.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.394 -1.062 . . . . 3.1200000000000001 109.378 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -39.25 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.256 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.3 -40.58 96.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.463 -0.773 . . . . 3.5 109.553 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.43 -58.07 9.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.562 -0.711 . . . . 0.5 110.178 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' D' ' 335' ' ' ARG . 4.4 mp0 -51.23 -36.59 42.47 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.98 -1.075 . . . . 1.6899999999999999 109.866 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.43 -53.13 57.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.272 -0.893 . . . . 1.1399999999999999 110.19 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.94 -43.17 99.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.974 . . . . 0.32000000000000001 108.927 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.73 -42.6 62.42 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.333 -0.854 . . . . 2.96 109.411 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.59 -54.38 47.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.75 109.964 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.08 -38.27 82.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.107 -0.996 . . . . 1.0800000000000001 108.7 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.72 54.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.48 -0.762 . . . . 1.22 109.583 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -63.06 -34.22 77.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 1.73 109.788 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.57 73.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 109.94 -179.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.52 -43.15 99.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.186 -0.946 . . . . 1.1100000000000001 109.443 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -35.5 73.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.9099999999999999 108.96 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.62 -47.94 79.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.441 -0.787 . . . . 1.1699999999999999 108.934 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.485 ' HZ3' ' CD ' ' C' ' 346' ' ' GLU . 15.4 ttmm -60.74 -39.69 89.62 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.224 -0.922 . . . . 2.1499999999999999 108.651 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' D' ' 352' ' ' ASP . 5.7 m-20 -57.02 -47.38 81.02 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.655 -0.653 . . . . 1.4399999999999999 109.315 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.93 68.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.408 -0.808 . . . . 1.3 109.375 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -81.93 -5.04 57.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 1.3999999999999999 109.284 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -80.47 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.6000000000000001 109.263 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.48 63.19 2.25 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.523 -1.431 . . . . 1.5 109.523 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -84.9 23.64 1.17 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -1.137 . . . . 4.5499999999999998 109.387 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -49.92 153.07 2.38 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.186 -0.946 . . . . 5.6699999999999999 108.91 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.08 148.2 60.2 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.009 1.139 . . . . 6.1200000000000001 109.763 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.941 -1.477 . . . . 7.2699999999999996 109.591 179.957 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.416 -0.587 . . . . 7.6600000000000001 109.416 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.55 174.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.43 -0.793 . . . . 7.5099999999999998 109.786 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 60.0 mttm 52.58 64.67 7.04 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.422 -0.799 . . . . 6.8099999999999996 110.111 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.5 129.2 24.45 Favored 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.538 1.492 . . . . 5.1500000000000004 109.935 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.26 104.83 11.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.099 -1.001 . . . . 4.7000000000000002 109.451 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.66 108.37 15.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 2.48 109.727 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.503 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -70.97 148.9 45.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.639 -1.384 . . . . 1.0800000000000001 109.639 179.78 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -60.84 123.05 16.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -1.114 . . . . 1.7 109.418 179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 68.7 m-85 -95.98 152.07 18.85 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 1.04 109.795 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.83 135.93 30.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 108.877 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.04 160.95 14.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.313 -0.867 . . . . 1.1399999999999999 109.549 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -149.24 130.68 14.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.855 . . . . 1.0900000000000001 109.598 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.99 130.12 34.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.545 -0.909 . . . . 1.3700000000000001 108.545 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 56.9 mt -123.54 109.39 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.617 -0.677 . . . . 1.1499999999999999 109.429 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.482 HH21 ' H ' ' C' ' 325' ' ' GLY . 65.7 ttt180 -74.64 152.27 39.23 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 2.79 109.342 179.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.4 130.16 5.79 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.943 -1.263 . . . . 0.45000000000000001 109.943 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.15 -55.67 5.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -1.037 . . . . 3.1600000000000001 109.627 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.37 -38.61 74.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.2200000000000002 109.611 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.9 98.13 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.259 -0.901 . . . . 3.54 109.688 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -53.93 -55.77 23.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.811 . . . . 0.5 110.012 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -51.04 -38.4 51.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.936 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.3 -52.22 62.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 110.257 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.097 -1.002 . . . . 0.34000000000000002 109.321 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.0 -43.25 60.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.923 . . . . 2.9399999999999999 109.303 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.84 -45.64 93.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 1.74 109.573 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.75 -47.02 87.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 109.314 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.81 -48.78 78.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 1.22 109.156 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.74 85.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.382 -0.824 . . . . 1.72 109.436 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.75 64.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 1.0700000000000001 109.719 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.81 -44.22 97.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.253 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -58.06 -36.91 73.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 108.902 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.481 ' CD2' ' NE2' ' B' ' 354' ' ' GLN . 4.8 tp -63.7 -41.95 98.04 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.721 -0.844 . . . . 1.1499999999999999 108.721 179.689 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.43 -48.45 77.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.863 -0.791 . . . . 2.1400000000000001 108.863 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.51 -32.44 58.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.312 0.577 . . . . 1.4299999999999999 109.615 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.77 34.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -0.909 . . . . 1.3 109.504 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 350' ' ' LEU . 23.3 mt-30 -80.74 1.43 30.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.4199999999999999 109.653 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.45 -79.94 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 1.5800000000000001 109.795 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.36 0.23 0.66 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 110.03 -1.228 . . . . 1.54 110.03 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 355' ' ' ALA . 16.6 tptp -86.29 145.11 27.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.1 -1.235 . . . . 4.5499999999999998 109.013 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -51.68 139.43 30.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.087 -1.008 . . . . 5.71 109.299 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.88 137.2 74.89 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 120.931 1.087 . . . . 6.0899999999999999 109.875 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 118.068 -1.407 . . . . 7.2400000000000002 109.588 179.76 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.423 -0.584 . . . . 7.6699999999999999 109.423 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 54.55 174.13 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.326 -0.859 . . . . 7.46 109.805 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 60.0 mttm 52.66 64.57 7.15 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.476 -0.765 . . . . 6.79 110.121 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.42 129.19 24.53 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.503 1.469 . . . . 5.1500000000000004 109.941 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -81.25 104.75 11.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.12 -0.987 . . . . 4.6600000000000001 109.453 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.53 108.88 16.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.293 -0.88 . . . . 2.4700000000000002 109.697 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.501 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -71.82 148.89 43.9 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.588 -1.405 . . . . 1.0600000000000001 109.588 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -60.61 122.98 16.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -1.109 . . . . 1.6100000000000001 109.503 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 68.5 m-85 -95.96 152.0 18.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.331 -0.856 . . . . 0.96999999999999997 109.847 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -141.79 135.8 30.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.315 -0.866 . . . . 0.59999999999999998 108.935 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -96.92 161.01 14.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.336 -0.852 . . . . 1.1000000000000001 109.591 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -149.12 130.65 14.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.328 -0.858 . . . . 1.1000000000000001 109.676 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -85.08 130.22 34.66 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.519 -0.919 . . . . 1.3600000000000001 108.519 179.159 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.52 109.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.591 -0.693 . . . . 1.1699999999999999 109.456 -179.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.414 HH21 ' H ' ' D' ' 325' ' ' GLY . 65.7 ttt180 -74.66 152.26 39.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 2.79 109.266 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.39 130.04 5.75 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.93 -1.268 . . . . 0.47999999999999998 109.93 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.08 -55.73 5.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -1.109 . . . . 3.2200000000000002 109.619 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -57.41 -38.51 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.616 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.75 -41.86 98.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.372 -0.83 . . . . 3.5499999999999998 109.716 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -53.99 -55.79 23.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.36 -0.838 . . . . 0.52000000000000002 110.021 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.86 -38.51 49.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.321 -0.862 . . . . 1.6799999999999999 109.952 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.28 -52.19 63.02 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 110.272 -179.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.59 -44.87 95.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.076 -1.015 . . . . 0.33000000000000002 109.296 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.94 -43.24 60.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 3.02 109.305 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.93 -45.54 94.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 1.75 109.535 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.84 -46.94 87.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 1.0700000000000001 109.312 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.76 -48.92 78.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 1.21 109.156 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.54 -37.79 85.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 1.6899999999999999 109.449 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.0 -52.75 64.44 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.393 -0.817 . . . . 1.0600000000000001 109.692 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.77 -44.3 97.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 1.0800000000000001 109.197 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.03 -36.95 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.929 . . . . 1.9299999999999999 108.905 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' A' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 1.1399999999999999 108.823 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.46 77.81 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.878 0.846 . . . . 2.1899999999999999 108.88 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.5 -32.49 58.05 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.743 -0.598 . . . . 1.4299999999999999 109.682 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -52.77 34.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 1.3100000000000001 109.585 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.481 ' NE2' ' CD2' ' A' ' 350' ' ' LEU . 23.2 mt-30 -80.66 1.32 30.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.374 -0.829 . . . . 1.3999999999999999 109.642 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.4 -80.02 0.06 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.929 . . . . 1.5700000000000001 109.739 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.42 0.35 0.65 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.007 -1.237 . . . . 1.53 110.007 -179.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' B' ' 355' ' ' ALA . 16.7 tptp -86.39 145.15 26.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.055 -1.262 . . . . 4.5800000000000001 108.97 179.479 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -51.82 139.48 31.39 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 5.6799999999999997 109.26 -179.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.87 137.23 75.09 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 120.916 1.077 . . . . 6.0499999999999998 109.894 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 118.015 -1.436 . . . . 7.2000000000000002 109.561 179.744 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.429 -0.582 . . . . 9.2200000000000006 109.429 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.57 174.03 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.374 -0.828 . . . . 8.5099999999999998 109.733 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 60.2 mttm 52.76 64.52 7.16 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 7.4199999999999999 110.003 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.41 129.18 24.52 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.527 1.485 . . . . 5.0499999999999998 109.986 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.22 104.77 11.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.134 -0.979 . . . . 5.1399999999999997 109.416 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.6 108.64 16.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.372 -0.83 . . . . 2.8500000000000001 109.657 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.504 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -71.26 148.89 44.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.632 -1.387 . . . . 1.27 109.632 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 123.0 16.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -1.164 . . . . 2.1099999999999999 109.462 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 69.4 m-85 -95.96 152.08 18.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.209 -0.932 . . . . 1.01 109.789 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -141.84 135.88 30.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.382 -0.824 . . . . 0.57999999999999996 108.85 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.02 160.92 14.07 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.383 -0.823 . . . . 1.1599999999999999 109.577 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.7 tp -149.09 130.77 15.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 1.1699999999999999 109.654 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -85.04 130.06 34.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.8100000000000001 108.525 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -123.54 109.45 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 CA-C-O 121.442 0.639 . . . . 1.1299999999999999 109.394 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.482 HH21 ' H ' ' A' ' 325' ' ' GLY . 65.7 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 2.8199999999999998 109.267 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.46 130.14 5.8 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.837 -1.305 . . . . 0.45000000000000001 109.837 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.17 -55.69 5.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.329 -1.101 . . . . 3.0800000000000001 109.593 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.43 -38.55 74.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 2.54 109.584 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.92 98.14 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.322 -0.861 . . . . 4.1100000000000003 109.661 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -54.02 -55.83 23.66 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.471 -0.768 . . . . 0.56999999999999995 109.949 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.91 -38.4 49.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 110.002 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.34 -52.2 62.78 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.237 -0.914 . . . . 1.29 110.19 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.48 -45.0 95.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.40000000000000002 109.336 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.92 -43.29 59.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.223 -0.923 . . . . 3.8500000000000001 109.285 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.86 -45.58 93.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 1.78 109.597 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.8 -46.98 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.938 . . . . 1.1699999999999999 109.292 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.76 -48.87 78.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 1.2 109.15 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.61 -37.72 84.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 2.1200000000000001 109.423 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.82 64.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 1.0700000000000001 109.701 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.7 -44.2 97.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.208 -0.932 . . . . 1.1399999999999999 109.283 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.13 -36.9 73.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.196 -0.94 . . . . 2.0899999999999999 108.867 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.421 ' CD2' ' NE2' ' D' ' 354' ' ' GLN . 4.7 tp -63.63 -42.04 98.19 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.799 -0.815 . . . . 1.3799999999999999 108.799 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.44 -48.39 77.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.836 0.827 . . . . 2.6800000000000002 108.828 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -54.52 -32.52 58.26 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.311 0.577 . . . . 1.3400000000000001 109.65 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -52.65 36.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 1.3 109.573 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.473 ' NE2' ' CD2' ' D' ' 350' ' ' LEU . 23.2 mt-30 -80.84 1.44 30.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.367 -0.833 . . . . 1.8 109.589 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.46 -80.0 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.158 -0.964 . . . . 1.47 109.734 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.37 0.34 0.64 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.032 -1.227 . . . . 1.6599999999999999 110.032 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' C' ' 355' ' ' ALA . 16.7 tptp -86.46 145.16 26.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -1.233 . . . . 4.7800000000000002 108.955 179.535 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.72 139.45 30.41 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 6.1900000000000004 109.234 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.85 137.24 75.26 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 120.851 1.034 . . . . 6.1799999999999997 109.945 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.522 -1.431 . . . . 6.9000000000000004 109.522 179.732 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.358 0.599 . . . . 7.6900000000000004 109.468 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.5 174.17 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.358 -0.839 . . . . 7.4500000000000002 109.741 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 60.1 mttm 52.62 64.65 7.05 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.416 -0.803 . . . . 6.8399999999999999 110.034 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.46 129.16 24.37 Favored 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.543 1.495 . . . . 5.1200000000000001 109.942 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.19 104.81 11.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.183 -0.948 . . . . 4.6600000000000001 109.436 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.59 108.6 16.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.324 -0.86 . . . . 2.46 109.666 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -71.32 148.88 44.71 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.66 -1.376 . . . . 1.0800000000000001 109.66 179.758 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.69 123.07 16.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -1.142 . . . . 1.6699999999999999 109.478 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.493 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 69.1 m-85 -96.06 152.14 18.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.257 -0.902 . . . . 1.01 109.751 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.89 135.86 29.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -0.805 . . . . 0.63 108.896 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -96.99 161.09 13.99 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.347 -0.846 . . . . 1.1299999999999999 109.552 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -149.25 130.65 14.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.68 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.97 130.11 34.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.554 -0.906 . . . . 1.3700000000000001 108.554 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.0 mt -123.54 109.34 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 CA-C-O 121.451 0.643 . . . . 1.1499999999999999 109.478 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.479 HH21 ' H ' ' B' ' 325' ' ' GLY . 65.6 ttt180 -74.57 152.29 39.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.396 -0.815 . . . . 2.77 109.351 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.41 130.06 5.76 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.913 -1.275 . . . . 0.42999999999999999 109.913 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.03 -55.77 5.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 3.1200000000000001 109.62 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.34 -38.54 74.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 2.2200000000000002 109.631 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.74 -41.77 98.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.376 -0.827 . . . . 3.5 109.716 -179.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.04 -55.77 24.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.775 . . . . 0.5 109.997 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.97 -38.4 50.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.952 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.41 -52.21 62.54 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.225 -0.922 . . . . 1.1399999999999999 110.165 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.92 95.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.965 . . . . 0.32000000000000001 109.346 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.97 -43.16 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.236 -0.915 . . . . 2.96 109.378 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.88 -45.64 93.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.75 109.53 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.75 -46.97 87.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.0800000000000001 109.367 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.82 -48.8 78.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.12 -0.987 . . . . 1.22 109.185 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.75 85.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 1.73 109.39 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.97 -52.84 64.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.678 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.8 -44.09 97.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 1.1100000000000001 109.263 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.25 -36.88 73.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 1.9099999999999999 108.852 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.473 ' CD2' ' NE2' ' C' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.377 -0.827 . . . . 1.1699999999999999 108.809 179.637 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.43 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.876 0.846 . . . . 2.1499999999999999 108.869 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.53 -32.59 58.47 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.768 -0.582 . . . . 1.4399999999999999 109.521 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.59 36.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.331 -0.856 . . . . 1.3 109.572 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.421 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 23.2 mt-30 -80.83 1.44 30.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.374 -0.829 . . . . 1.3999999999999999 109.647 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.4 -80.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.6000000000000001 109.722 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.37 0.35 0.64 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.012 -1.235 . . . . 1.5 110.012 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' D' ' 355' ' ' ALA . 16.6 tptp -86.41 145.11 26.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.12 -1.223 . . . . 4.5499999999999998 108.932 179.548 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.77 139.48 30.89 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 5.6699999999999999 109.278 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.83 137.24 75.31 Favored 'Trans proline' 0 C--O 1.214 -0.693 0 C-N-CA 120.902 1.068 . . . . 6.1200000000000001 109.887 179.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.991 -1.45 . . . . 7.2699999999999996 109.556 179.694 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.38 -0.6 . . . . 7.6600000000000001 109.38 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 30.7 tttm 60.32 112.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.253 -0.904 . . . . 7.5099999999999998 109.56 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.86 61.97 11.53 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.815 . . . . 6.8099999999999996 110.228 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.52 0.23 Allowed 'Trans proline' 0 C--N 1.321 -0.921 0 C-N-CA 121.432 1.421 . . . . 5.1500000000000004 109.905 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.57 25.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 4.7000000000000002 109.254 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 322' ' ' PRO . 0.9 OUTLIER -80.5 -105.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.712 -0.618 . . . . 2.48 110.301 -179.594 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.04 150.37 48.85 Favored Glycine 0 N--CA 1.494 2.546 0 C-N-CA 120.278 -0.963 . . . . 1.0800000000000001 110.844 -178.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.29 160.95 9.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.618 -0.93 . . . . 1.7 109.41 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' A' ' 322' ' ' PRO . 22.1 m-85 -100.96 149.5 23.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.484 -0.76 . . . . 1.04 109.697 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.82 -170.75 2.76 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.404 -0.81 . . . . 0.65000000000000002 109.135 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.76 149.38 28.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 1.1399999999999999 108.558 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.5 tp -142.6 131.99 23.58 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.282 -0.886 . . . . 1.0900000000000001 109.911 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.13 128.13 34.53 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.719 -0.845 . . . . 1.3700000000000001 108.719 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.06 117.48 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.469 -0.769 . . . . 1.1499999999999999 109.658 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.65 149.71 36.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.501 -0.749 . . . . 2.79 109.769 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.22 138.42 6.13 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.538 -1.025 . . . . 0.45000000000000001 110.538 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.46 ' HG3' HH11 ' A' ' 335' ' ' ARG . 7.7 ttm-85 -83.62 -51.37 7.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.435 -1.038 . . . . 3.1600000000000001 109.171 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -58.24 -38.95 77.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.413 -0.805 . . . . 2.2200000000000002 109.151 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.93 -45.96 86.86 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.562 -0.903 . . . . 3.54 108.562 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.87 -50.41 70.71 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.396 0.617 . . . . 0.5 109.562 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.85 -38.22 61.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.889 -179.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.18 -50.08 73.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.087 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.211 -0.93 . . . . 0.34000000000000002 109.189 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -52.19 -43.42 64.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 2.9399999999999999 109.431 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.417 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.3 tp10 -60.05 -53.53 56.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.25 -0.906 . . . . 1.74 109.764 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.22 -37.12 79.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 108.817 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.17 -55.9 29.09 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.337 -0.852 . . . . 1.22 109.189 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.449 ' CB ' ' HZ2' ' B' ' 351' ' ' LYS . 95.8 mt-10 -64.03 -31.51 72.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.349 -0.845 . . . . 1.72 109.717 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -54.81 42.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.942 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.99 -44.13 97.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.429 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.08 -37.18 76.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 109.538 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -48.9 75.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.907 . . . . 1.1499999999999999 109.443 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.438 ' HZ2' ' CB ' ' B' ' 346' ' ' GLU . 31.1 ttmt -62.58 -45.41 93.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.329 -0.857 . . . . 2.1400000000000001 109.028 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.44 -28.8 60.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.385 -0.822 . . . . 1.4299999999999999 109.216 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.8 80.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 1.3 110.116 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -82.9 -25.73 32.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 1.4199999999999999 109.755 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.88 -3.51 26.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.201 -0.937 . . . . 1.5800000000000001 109.471 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.82 -79.02 0.86 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.817 -1.313 . . . . 1.54 109.817 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -86.05 99.64 11.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.234 -1.156 . . . . 4.5499999999999998 109.669 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.565 ' H ' ' CD ' ' A' ' 358' ' ' GLU . 2.1 pm0 -50.53 152.33 3.37 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.254 -0.904 . . . . 5.71 108.903 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.66 123.25 13.22 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.027 1.151 . . . . 6.0899999999999999 109.967 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.934 -1.481 . . . . 7.2400000000000002 109.593 179.867 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.375 -0.602 . . . . 7.6699999999999999 109.375 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 30.6 tttm 60.35 112.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 7.46 109.639 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.86 61.92 11.63 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 6.79 110.251 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.473 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.51 0.23 Allowed 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.413 1.409 . . . . 5.1500000000000004 109.916 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.59 25.72 0.32 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 4.6600000000000001 109.209 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' B' ' 322' ' ' PRO . 0.9 OUTLIER -80.44 -105.07 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.683 -0.636 . . . . 2.4700000000000002 110.272 -179.535 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.57 150.49 48.29 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.237 -0.982 . . . . 1.0600000000000001 110.785 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.32 160.99 9.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.949 . . . . 1.6100000000000001 109.442 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' O ' ' B' ' 322' ' ' PRO . 22.1 m-85 -100.96 149.5 23.84 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.392 -0.817 . . . . 0.96999999999999997 109.651 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.85 -170.76 2.77 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.485 -0.76 . . . . 0.59999999999999998 109.18 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.81 149.19 28.73 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.589 -0.893 . . . . 1.1000000000000001 108.589 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.38 132.11 24.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.927 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.14 128.02 34.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.703 -0.851 . . . . 1.3600000000000001 108.703 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.97 117.41 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.494 -0.754 . . . . 1.1699999999999999 109.687 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.49 149.72 36.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 2.79 109.847 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.15 138.36 6.07 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.533 -1.027 . . . . 0.47999999999999998 110.533 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.465 HH11 ' HG3' ' B' ' 335' ' ' ARG . 7.7 ttm-85 -83.52 -51.44 7.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.483 -1.01 . . . . 3.2200000000000002 109.096 179.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.17 -38.94 77.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.325 -0.859 . . . . 2.21 109.236 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.0 -45.87 87.03 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.488 -0.93 . . . . 3.5499999999999998 108.488 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.89 -50.52 70.43 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.581 -0.699 . . . . 0.52000000000000002 109.511 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.76 -38.2 60.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.6799999999999999 109.971 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -62.3 -49.92 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.966 . . . . 1.1499999999999999 110.088 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.15 -41.42 96.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.208 -0.932 . . . . 0.33000000000000002 109.238 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.17 -43.42 64.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 3.02 109.49 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.01 -53.54 56.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 1.75 109.83 -179.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.25 -37.05 79.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 108.782 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.21 -55.81 30.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.419 -0.801 . . . . 1.21 109.203 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.438 ' CB ' ' HZ2' ' A' ' 351' ' ' LYS . 95.9 mt-10 -64.04 -31.72 73.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.755 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.85 -54.96 41.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 1.0600000000000001 109.974 -179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 1.0800000000000001 109.37 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.04 -37.15 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.9299999999999999 109.543 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.44 -48.95 75.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.816 . . . . 1.1399999999999999 109.488 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.449 ' HZ2' ' CB ' ' A' ' 346' ' ' GLU . 31.0 ttmt -62.54 -45.32 93.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.349 -0.844 . . . . 2.1899999999999999 109.076 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.87 60.54 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.512 -0.743 . . . . 1.4299999999999999 109.211 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.77 80.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.803 . . . . 1.3100000000000001 110.046 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -82.91 -25.73 32.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.087 -1.008 . . . . 1.3999999999999999 109.713 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.85 -3.46 25.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.179 -0.951 . . . . 1.5700000000000001 109.516 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.86 -78.97 0.87 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.831 -1.308 . . . . 1.53 109.831 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.06 99.65 11.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.196 -1.179 . . . . 4.5800000000000001 109.606 -179.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' B' ' 358' ' ' GLU . 2.1 pm0 -50.56 152.36 3.39 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 5.6799999999999997 108.886 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.62 123.21 13.13 Favored 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 121.047 1.165 . . . . 6.0499999999999998 109.996 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.987 -1.451 . . . . 7.2000000000000002 109.595 179.868 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.41 -0.589 . . . . 9.2200000000000006 109.41 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 30.6 tttm 60.41 112.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.334 -0.854 . . . . 8.5099999999999998 109.591 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 51.91 61.92 11.58 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.444 -0.785 . . . . 7.4199999999999999 110.195 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.44 0.23 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 121.447 1.431 . . . . 5.0499999999999998 109.944 179.576 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.57 25.7 0.32 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 5.1399999999999997 109.224 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' C' ' 322' ' ' PRO . 0.9 OUTLIER -80.5 -105.2 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.663 -0.648 . . . . 2.8500000000000001 110.303 -179.586 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 150.33 48.42 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 120.275 -0.965 . . . . 1.27 110.846 -178.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.25 161.04 9.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.584 -0.951 . . . . 2.1099999999999999 109.423 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.44 ' OH ' ' O ' ' C' ' 322' ' ' PRO . 22.1 m-85 -100.93 149.51 23.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.45 -0.781 . . . . 1.01 109.668 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -136.87 -170.82 2.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.443 -0.786 . . . . 0.57999999999999996 109.119 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.72 149.16 28.75 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.649 -0.871 . . . . 1.1599999999999999 108.649 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.3 tp -142.4 132.14 24.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.296 -0.877 . . . . 1.1699999999999999 109.896 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.19 128.13 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.707 -0.849 . . . . 1.8100000000000001 108.707 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -124.05 117.29 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.455 -0.778 . . . . 1.1299999999999999 109.727 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.46 149.61 36.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.574 -0.704 . . . . 2.8199999999999998 109.827 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.28 138.44 6.17 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.511 -1.036 . . . . 0.45000000000000001 110.511 178.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.457 HH11 ' HG3' ' C' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.47 7.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -1.015 . . . . 3.0800000000000001 109.082 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -38.8 77.56 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.348 -0.845 . . . . 2.54 109.238 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.08 -45.97 86.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.476 -0.935 . . . . 4.1100000000000003 108.476 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.89 -50.42 70.71 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.637 -0.665 . . . . 0.56999999999999995 109.529 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.78 -38.15 60.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 110.031 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.25 -50.05 73.28 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.11 -0.994 . . . . 1.29 110.12 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.02 -41.48 96.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.176 -0.953 . . . . 0.40000000000000002 109.218 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.24 -43.36 64.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.107 -0.996 . . . . 3.8500000000000001 109.462 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.03 -53.55 56.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 1.78 109.796 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.21 -37.08 79.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 108.785 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.16 -55.86 29.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.381 -0.824 . . . . 1.2 109.18 179.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.406 ' CB ' ' HZ2' ' D' ' 351' ' ' LYS . 95.8 mt-10 -64.15 -31.58 72.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 2.1200000000000001 109.702 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.94 -54.9 41.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 109.985 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.85 -44.3 97.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 1.1399999999999999 109.423 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.0 -37.23 76.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 2.0899999999999999 109.58 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.36 -48.98 75.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 1.3799999999999999 109.483 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.438 ' HZ2' ' CB ' ' D' ' 346' ' ' GLU . 31.0 ttmt -62.54 -45.28 93.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 2.6800000000000002 109.105 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.47 -28.82 60.69 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.506 -0.747 . . . . 1.3400000000000001 109.232 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.76 80.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 1.3 110.129 -179.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -82.84 -25.79 32.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 1.8 109.747 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.49 25.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 1.47 109.522 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.83 -78.97 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.877 -1.289 . . . . 1.6599999999999999 109.877 -179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -86.09 99.6 11.6 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.211 -1.17 . . . . 4.7800000000000002 109.638 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' C' ' 358' ' ' GLU . 2.1 pm0 -50.47 152.45 3.25 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.831 . . . . 6.1900000000000004 108.909 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.78 123.24 13.25 Favored 'Trans proline' 0 C--N 1.322 -0.865 0 C-N-CA 121.075 1.183 . . . . 6.1799999999999997 109.94 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.946 -1.474 . . . . 6.9000000000000004 109.616 179.917 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.395 -0.595 . . . . 7.6900000000000004 109.395 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 30.7 tttm 60.38 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 7.4500000000000002 109.574 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.83 62.02 11.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 6.8399999999999999 110.223 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.4 Cg_endo -63.13 99.47 0.23 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.512 1.475 . . . . 5.1200000000000001 109.9 179.505 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.64 25.71 0.33 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.945 . . . . 4.6600000000000001 109.204 179.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' D' ' 322' ' ' PRO . 0.9 OUTLIER -80.41 -105.29 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.708 -0.62 . . . . 2.46 110.268 -179.609 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.24 150.41 48.61 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.222 -0.989 . . . . 1.0800000000000001 110.91 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.33 161.05 9.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.636 -0.92 . . . . 1.6699999999999999 109.461 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' O ' ' D' ' 322' ' ' PRO . 21.9 m-85 -101.01 149.31 24.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.374 -0.829 . . . . 1.01 109.701 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.6 -170.75 2.75 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.399 -0.813 . . . . 0.63 109.155 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.79 149.2 28.76 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.936 . . . . 1.1299999999999999 108.523 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.2 tp -142.37 132.24 24.29 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.348 -0.845 . . . . 1.1000000000000001 109.919 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -85.23 128.07 34.54 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.17 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -124.09 117.35 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.453 -0.78 . . . . 1.1499999999999999 109.678 -179.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.55 149.72 36.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.748 . . . . 2.77 109.785 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.18 138.34 6.08 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.537 -1.025 . . . . 0.42999999999999999 110.537 179.059 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.467 HH11 ' HG3' ' D' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.39 7.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -1.024 . . . . 3.1200000000000001 109.125 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.23 -38.95 77.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.146 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.97 -45.95 86.81 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.48 -0.933 . . . . 3.5 108.48 179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.84 -50.48 70.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.648 -0.658 . . . . 0.5 109.537 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.81 -38.1 60.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.98 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -62.35 -49.96 73.51 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.225 -0.922 . . . . 1.1399999999999999 110.095 -179.339 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.96 -41.51 96.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.205 -0.934 . . . . 0.32000000000000001 109.27 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.27 -43.3 64.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 2.96 109.438 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.411 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.3 tp10 -60.09 -53.58 56.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 1.75 109.751 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.23 -37.0 79.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 108.868 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.2 -55.86 29.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.447 -0.783 . . . . 1.22 109.211 179.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.438 ' CB ' ' HZ2' ' C' ' 351' ' ' LYS . 95.8 mt-10 -64.14 -31.47 72.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 1.73 109.697 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.84 42.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 1.0700000000000001 109.982 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.97 -44.21 97.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.882 . . . . 1.1100000000000001 109.427 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.08 -37.16 76.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.449 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.46 -48.87 75.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 1.1699999999999999 109.42 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.406 ' HZ2' ' CB ' ' C' ' 346' ' ' GLU . 31.0 ttmt -62.61 -45.37 93.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.312 -0.868 . . . . 2.1499999999999999 109.066 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.77 60.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 1.4399999999999999 109.349 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.75 80.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.301 -0.875 . . . . 1.3 110.108 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -82.96 -25.75 32.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.108 -0.995 . . . . 1.3999999999999999 109.7 -179.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -3.47 25.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.108 -0.995 . . . . 1.6000000000000001 109.489 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.87 -79.03 0.87 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.815 -1.314 . . . . 1.5 109.815 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.0 99.66 11.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.25 -1.147 . . . . 4.5499999999999998 109.711 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' D' ' 358' ' ' GLU . 2.1 pm0 -50.53 152.43 3.32 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.93 . . . . 5.6699999999999999 108.855 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.69 123.16 13.02 Favored 'Trans proline' 0 C--N 1.323 -0.794 0 C-N-CA 121.078 1.185 . . . . 6.1200000000000001 109.965 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.979 -1.456 . . . . 7.2699999999999996 109.582 179.896 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.516 -0.549 . . . . 7.6600000000000001 109.516 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 65.03 -75.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.416 -0.802 . . . . 7.5099999999999998 109.682 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 319' ' ' LYS . 84.1 mttt -155.34 69.41 5.43 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.141 -0.974 . . . . 6.8099999999999996 109.514 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -71.41 86.79 0.8 Allowed 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.677 1.584 . . . . 5.1500000000000004 109.887 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.55 -19.03 31.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.952 -1.092 . . . . 4.7000000000000002 109.199 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 324' ' ' ASP . 0.9 OUTLIER -87.25 -17.48 32.47 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.498 -0.751 . . . . 2.48 109.791 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -71.76 98.43 0.77 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.012 -1.235 . . . . 1.0800000000000001 110.012 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.29 124.84 22.78 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 121.822 -0.811 . . . . 1.7 109.492 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 66.4 m-85 -98.64 146.18 26.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.173 -0.954 . . . . 1.04 109.888 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -141.65 137.02 31.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.32 -0.862 . . . . 0.65000000000000002 109.02 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.4 p -95.96 163.44 13.14 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.06 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 39.2 tp -150.65 133.79 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 1.0900000000000001 110.011 -179.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.08 127.99 34.46 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.244 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.13 110.55 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.526 -0.734 . . . . 1.1499999999999999 109.72 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -74.68 151.72 39.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.574 -0.704 . . . . 2.79 109.491 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.52 138.03 6.14 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.26 -1.136 . . . . 0.45000000000000001 110.26 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.24 -47.11 11.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.388 -1.066 . . . . 3.1600000000000001 109.378 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.59 -43.17 89.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 109.377 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.31 -41.27 96.73 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.344 -0.848 . . . . 3.54 109.567 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.71 -55.98 24.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.492 -0.755 . . . . 0.5 109.686 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.98 -42.21 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 109.662 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 19.0 ttp -63.39 -52.11 63.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 110.278 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.31 -48.22 82.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.34000000000000002 109.077 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.54 -43.67 62.42 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.227 -0.921 . . . . 2.9399999999999999 109.485 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.99 -43.95 94.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.74 110.087 -179.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.31 -42.47 98.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.023 . . . . 1.0700000000000001 109.151 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.69 -54.21 49.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 1.22 109.567 179.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.479 ' CD ' ' HZ3' ' B' ' 351' ' ' LYS . 71.2 tt0 -63.6 -37.32 86.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 1.72 109.994 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.53 45.9 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 110.003 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.7 mt -61.56 -40.09 93.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.394 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.11 -36.42 77.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.406 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.31 -47.75 80.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.462 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.435 ' HZ3' ' CD ' ' B' ' 346' ' ' GLU . 17.3 ttmm -62.28 -46.65 87.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 2.1400000000000001 108.719 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.55 -38.07 71.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.557 -0.714 . . . . 1.4299999999999999 109.164 179.55 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -25.12 65.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 1.3 109.613 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.04 -12.05 57.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 1.4199999999999999 109.478 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.31 -5.81 35.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 1.5800000000000001 109.312 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.11 0.8 88.96 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.702 -1.359 . . . . 1.54 109.702 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.7 5.31 32.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.207 -1.173 . . . . 4.5499999999999998 109.315 -179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.41 155.11 1.88 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 5.71 108.924 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -53.68 124.02 14.79 Favored 'Trans proline' 0 C--N 1.324 -0.743 0 C-N-CA 121.145 1.23 . . . . 6.0899999999999999 110.105 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.999 -1.445 . . . . 7.2400000000000002 109.579 179.778 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 321' ' ' LYS . 63.4 mttm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.443 -0.577 . . . . 7.6699999999999999 109.443 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 39.0 tttp 65.03 -75.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.463 -0.773 . . . . 7.46 109.632 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 319' ' ' LYS . 84.1 mttt -155.26 69.29 5.47 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.143 -0.973 . . . . 6.79 109.613 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.42 86.93 0.8 Allowed 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.632 1.555 . . . . 5.1500000000000004 109.868 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.66 -19.08 31.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.954 -1.091 . . . . 4.6600000000000001 109.139 179.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 0.9 OUTLIER -87.28 -16.78 34.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.537 -0.727 . . . . 2.4700000000000002 109.866 -179.874 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -72.93 98.68 0.89 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.907 -1.277 . . . . 1.0600000000000001 109.907 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.29 124.8 22.65 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.808 -0.819 . . . . 1.6100000000000001 109.451 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 65.8 m-85 -98.64 146.16 26.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.263 -0.898 . . . . 0.96999999999999997 109.938 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -141.65 136.75 31.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.311 -0.868 . . . . 0.59999999999999998 109.126 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.0 p -95.66 163.42 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -0.875 . . . . 1.1000000000000001 109.19 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -150.55 133.76 16.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.118 -0.989 . . . . 1.1000000000000001 109.972 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.08 128.04 34.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.625 -0.88 . . . . 1.3600000000000001 108.625 179.164 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -124.1 110.54 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.583 -0.698 . . . . 1.1699999999999999 109.737 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.68 151.65 39.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.514 -0.741 . . . . 2.79 109.512 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.64 138.01 6.2 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.311 -1.115 . . . . 0.47999999999999998 110.311 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -83.38 -47.04 11.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.48 -1.012 . . . . 3.2200000000000002 109.356 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.49 -43.35 88.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.21 109.331 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -61.22 -41.42 96.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.302 -0.874 . . . . 3.5499999999999998 109.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.52 -56.0 23.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.463 -0.773 . . . . 0.52000000000000002 109.789 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.95 -42.28 62.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.686 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.34 -52.11 63.14 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.258 -0.901 . . . . 1.1499999999999999 110.249 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.36 -48.18 82.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.33000000000000002 109.053 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.61 -43.57 62.57 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.265 -0.897 . . . . 3.02 109.5 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.09 -43.94 95.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 1.75 110.048 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.18 -42.59 98.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 1.0700000000000001 109.077 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.64 -54.29 48.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 1.21 109.589 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.435 ' CD ' ' HZ3' ' A' ' 351' ' ' LYS . 71.0 tt0 -63.45 -37.49 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 1.6899999999999999 109.98 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.53 45.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.199 -0.938 . . . . 1.0600000000000001 110.028 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.54 -40.06 93.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 1.0800000000000001 109.35 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.2 -36.38 77.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.884 . . . . 1.9299999999999999 109.443 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.35 -47.77 80.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.857 . . . . 1.1399999999999999 109.459 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.479 ' HZ3' ' CD ' ' A' ' 346' ' ' GLU . 17.3 ttmm -62.27 -46.51 88.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 2.1899999999999999 108.833 179.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.65 -38.03 71.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.769 . . . . 1.4299999999999999 109.136 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -25.17 65.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 1.3100000000000001 109.58 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.05 -12.12 57.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.458 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.99 35.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 1.5700000000000001 109.339 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.09 0.88 89.0 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.774 -1.331 . . . . 1.53 109.774 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -85.72 5.34 32.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.205 -1.173 . . . . 4.5800000000000001 109.33 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.45 155.13 1.9 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 109.013 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -53.72 124.07 14.94 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 121.168 1.245 . . . . 6.0499999999999998 110.061 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 117.987 -1.452 . . . . 7.2000000000000002 109.575 179.808 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' C' ' 321' ' ' LYS . 63.4 mttm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.475 -0.565 . . . . 9.2200000000000006 109.475 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 64.98 -75.53 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 8.5099999999999998 109.617 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' C' ' 319' ' ' LYS . 84.0 mttt -155.32 69.43 5.44 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.1 -1.0 . . . . 7.4199999999999999 109.527 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.66 87.67 0.8 Allowed 'Trans proline' 0 C--N 1.317 -1.127 0 C-N-CA 121.469 1.446 . . . . 5.0499999999999998 109.782 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -86.17 -18.99 30.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.024 -1.048 . . . . 5.1399999999999997 109.135 179.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 0.9 OUTLIER -87.43 -17.07 33.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 2.8500000000000001 109.771 -179.857 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -72.2 98.5 0.81 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.973 -1.251 . . . . 1.27 109.973 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.41 124.87 22.91 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 121.871 -0.782 . . . . 2.1099999999999999 109.38 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 66.2 m-85 -98.68 146.16 26.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.198 -0.939 . . . . 1.01 109.929 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -141.65 136.89 31.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.309 -0.869 . . . . 0.57999999999999996 109.04 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -95.82 163.4 13.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.274 -0.891 . . . . 1.1599999999999999 109.168 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.55 133.85 16.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.989 . . . . 1.1699999999999999 109.95 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.18 127.96 34.48 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.19 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.08 110.61 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.539 -0.726 . . . . 1.1299999999999999 109.718 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.64 151.63 39.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.594 -0.691 . . . . 2.8199999999999998 109.503 179.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.55 137.86 6.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.295 -1.122 . . . . 0.45000000000000001 110.295 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.12 -47.09 12.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -1.107 . . . . 3.0800000000000001 109.47 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.57 -43.15 89.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.972 . . . . 2.54 109.366 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.32 -41.26 96.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.392 -0.818 . . . . 4.1100000000000003 109.551 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.69 -55.96 24.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.56999999999999995 109.705 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.92 -42.28 62.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.693 -179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.37 -52.14 62.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.281 -0.887 . . . . 1.29 110.256 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.35 -48.1 83.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 0.40000000000000002 109.102 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.63 -43.64 62.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.28 -0.888 . . . . 3.8500000000000001 109.449 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.97 -44.02 94.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 1.78 110.013 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.24 -42.51 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.014 . . . . 1.1699999999999999 109.063 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.68 -54.23 49.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.298 -0.876 . . . . 1.2 109.578 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.434 ' CD ' ' HZ3' ' D' ' 351' ' ' LYS . 71.0 tt0 -63.54 -37.39 87.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 2.1200000000000001 110.05 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.52 46.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 1.0700000000000001 110.015 -179.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -40.05 93.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.188 -0.945 . . . . 1.1399999999999999 109.366 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.28 -36.35 77.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 2.0899999999999999 109.376 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.31 -47.77 80.88 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.848 . . . . 1.3799999999999999 109.485 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.464 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 17.4 ttmm -62.3 -46.49 88.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 2.6800000000000002 108.812 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.63 -38.04 71.55 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.526 -0.734 . . . . 1.3400000000000001 109.192 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -25.13 65.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 1.3 109.655 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -83.13 -11.97 57.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.8 109.464 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.37 -5.83 35.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 1.47 109.256 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 0.86 88.9 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.732 -1.347 . . . . 1.6599999999999999 109.732 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.78 5.43 32.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.161 -1.199 . . . . 4.7800000000000002 109.303 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.52 155.1 1.94 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 6.1900000000000004 108.968 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -53.7 124.05 14.88 Favored 'Trans proline' 0 C--N 1.323 -0.774 0 C-N-CA 121.077 1.185 . . . . 6.1799999999999997 110.108 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.544 -1.422 . . . . 6.9000000000000004 109.544 179.8 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' D' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.531 -0.544 . . . . 7.6900000000000004 109.531 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 38.9 tttp 64.92 -75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 7.4500000000000002 109.691 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' D' ' 319' ' ' LYS . 84.1 mttt -155.26 69.37 5.47 Favored Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.19 -0.944 . . . . 6.8399999999999999 109.479 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.46 86.88 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.659 1.573 . . . . 5.1200000000000001 109.861 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.64 -18.96 31.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 4.6600000000000001 109.135 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 0.9 OUTLIER -87.37 -17.21 32.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.539 -0.725 . . . . 2.46 109.78 -179.863 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -72.18 98.54 0.82 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.014 -1.235 . . . . 1.0800000000000001 110.014 -179.755 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.33 124.86 22.83 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.863 -0.787 . . . . 1.6699999999999999 109.428 179.465 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 66.4 m-85 -98.62 146.22 26.05 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.098 -1.001 . . . . 1.01 109.874 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -141.74 137.01 31.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.32 -0.862 . . . . 0.63 108.994 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -95.89 163.48 13.13 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.256 -0.903 . . . . 1.1299999999999999 109.098 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.65 133.77 16.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 1.1000000000000001 109.918 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.04 128.06 34.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 1.3700000000000001 108.619 179.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -124.13 110.53 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.573 -0.705 . . . . 1.1499999999999999 109.735 -179.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.65 151.63 39.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.553 -0.717 . . . . 2.77 109.54 179.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.59 138.05 6.19 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.285 -1.126 . . . . 0.42999999999999999 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.31 -47.04 11.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 3.1200000000000001 109.409 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.58 -43.32 89.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 2.2200000000000002 109.32 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.2 -41.28 96.56 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.367 -0.833 . . . . 3.5 109.559 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.61 -56.09 22.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.457 -0.777 . . . . 0.5 109.721 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.79 -42.39 62.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 109.66 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 19.0 ttp -63.33 -52.05 63.45 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.317 -0.864 . . . . 1.1399999999999999 110.308 -179.382 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.43 -48.07 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.091 -1.005 . . . . 0.32000000000000001 109.07 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.62 -43.64 62.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 2.96 109.481 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.02 -43.99 94.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 1.75 110.019 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.21 -42.58 98.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 1.0800000000000001 109.095 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -58.55 -54.38 47.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.338 -0.851 . . . . 1.22 109.59 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.464 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 71.1 tt0 -63.44 -37.34 86.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.317 -0.864 . . . . 1.73 110.085 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.64 44.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.955 . . . . 1.0700000000000001 110.041 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.45 -40.19 93.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -0.945 . . . . 1.1100000000000001 109.369 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.18 -36.39 77.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.176 -0.952 . . . . 1.9099999999999999 109.324 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.27 -47.76 81.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.425 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.434 ' HZ3' ' CD ' ' C' ' 346' ' ' GLU . 17.4 ttmm -62.35 -46.61 87.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 2.1499999999999999 108.707 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.59 -37.97 71.37 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.484 -0.76 . . . . 1.4399999999999999 109.196 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.2 65.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.3 109.532 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.05 -12.02 57.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.166 -0.959 . . . . 1.3999999999999999 109.408 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.29 -5.87 35.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 1.6000000000000001 109.303 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 0.87 88.92 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.629 -1.388 . . . . 1.5 109.629 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.73 5.32 32.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.09 -1.241 . . . . 4.5499999999999998 109.265 -179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.54 155.2 1.92 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.212 -0.93 . . . . 5.6699999999999999 108.936 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -53.81 124.12 15.07 Favored 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 121.134 1.222 . . . . 6.1200000000000001 110.018 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 CA-C-O 117.907 -1.496 . . . . 7.2699999999999996 109.545 179.766 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.647 ' H1 ' ' HZ2' ' A' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.494 -0.558 . . . . 7.6600000000000001 109.494 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 321' ' ' LYS . 30.1 ttpt 63.79 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 7.5099999999999998 109.822 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.647 ' HZ2' ' H1 ' ' A' ' 319' ' ' LYS . 36.7 mmtm 58.96 149.54 0.08 OUTLIER Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.884 -0.51 . . . . 6.8099999999999996 110.0 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.23 -166.82 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 121.183 1.256 . . . . 5.1500000000000004 110.521 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.7 169.62 17.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.808 . . . . 4.7000000000000002 109.792 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.719 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 3.1 m-20 -80.51 -140.26 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 2.48 110.211 -179.533 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.1 172.29 37.69 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.415 -1.074 . . . . 1.0800000000000001 110.415 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.91 136.9 58.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.467 -1.02 . . . . 1.7 109.88 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.719 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 26.0 m-85 -99.0 158.9 15.34 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.4 -0.812 . . . . 1.04 109.906 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.55 140.66 35.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.342 -0.849 . . . . 0.65000000000000002 108.984 179.517 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 51.3 p -92.52 164.0 13.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 1.1399999999999999 109.395 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.08 131.76 14.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.148 -0.97 . . . . 1.0900000000000001 110.14 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.26 128.38 34.66 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.834 -0.802 . . . . 1.3700000000000001 108.834 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 67.2 mt -124.1 119.76 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.513 -0.742 . . . . 1.1499999999999999 109.955 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.3 152.68 36.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.516 -0.74 . . . . 2.79 109.943 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.89 138.87 1.93 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.607 -0.997 . . . . 0.45000000000000001 110.607 178.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.05 -44.09 14.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -1.04 . . . . 3.1600000000000001 109.374 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.58 -43.14 93.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.05 . . . . 2.2200000000000002 109.052 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 21.5 ttm180 -62.3 -41.45 98.53 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.261 -0.899 . . . . 3.54 109.243 179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.07 -57.16 12.84 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.483 -0.761 . . . . 0.5 109.594 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.21 -35.77 50.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 1.6599999999999999 109.721 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.24 -53.82 47.07 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 109.926 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.2 -41.97 97.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.18 -0.95 . . . . 0.34000000000000002 108.834 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -51.57 -43.79 62.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.341 -0.85 . . . . 2.9399999999999999 109.141 179.447 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.92 -45.2 95.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 1.74 109.793 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.66 -44.23 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.246 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.82 -49.89 75.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.183 -0.948 . . . . 1.22 109.301 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.71 -37.87 88.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.851 . . . . 1.72 109.587 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.11 61.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 1.0700000000000001 109.841 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.46 -44.62 96.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.152 -0.968 . . . . 1.0800000000000001 109.372 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.41 -35.13 73.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.544 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.58 -50.65 66.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 1.1499999999999999 109.457 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.67 -46.74 86.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 2.1400000000000001 108.875 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 1.2 m-20 -58.55 -43.31 89.27 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.436 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.62 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 1.3 109.773 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.17 -20.62 32.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.146 -0.972 . . . . 1.4199999999999999 109.638 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.94 -10.96 60.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 1.5800000000000001 109.247 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 23.62 7.92 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.606 -1.398 . . . . 1.54 109.606 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.51 109.83 18.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -1.193 . . . . 4.5499999999999998 109.413 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.38 152.61 4.28 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 5.71 109.357 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.71 138.17 80.45 Favored 'Trans proline' 0 C--O 1.215 -0.641 0 C-N-CA 121.054 1.169 . . . . 6.0899999999999999 110.133 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.429 -1.468 . . . . 7.2400000000000002 109.429 179.872 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.649 ' H1 ' ' HZ2' ' B' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.45 -0.574 . . . . 7.6699999999999999 109.45 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 321' ' ' LYS . 30.1 ttpt 63.76 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.577 -0.702 . . . . 7.46 109.773 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.649 ' HZ2' ' H1 ' ' B' ' 319' ' ' LYS . 36.7 mmtm 58.87 149.52 0.08 OUTLIER Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.89 -0.506 . . . . 6.79 110.068 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -55.23 -166.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.479 0.657 0 C-N-CA 121.146 1.23 . . . . 5.1500000000000004 110.534 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.73 169.65 17.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.393 -0.817 . . . . 4.6600000000000001 109.723 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.717 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 3.1 m-20 -80.56 -140.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 2.4700000000000002 110.193 -179.558 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 172.16 37.5 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.403 -1.079 . . . . 1.0600000000000001 110.403 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.71 136.95 58.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.503 -0.998 . . . . 1.6100000000000001 109.911 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.717 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 26.1 m-85 -99.16 158.91 15.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.405 -0.81 . . . . 0.96999999999999997 109.875 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -140.54 140.6 35.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.413 -0.805 . . . . 0.59999999999999998 108.984 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 50.1 p -92.51 164.03 13.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.345 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.09 131.62 14.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 110.169 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.16 128.5 34.69 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.792 -0.818 . . . . 1.3600000000000001 108.792 179.328 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.22 119.62 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 O-C-N 121.44 -0.788 . . . . 1.1699999999999999 109.985 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 152.72 36.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.499 -0.751 . . . . 2.79 110.001 179.688 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.71 138.9 1.87 Allowed Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.203 -0.998 . . . . 0.47999999999999998 110.702 178.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -84.08 -44.0 14.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.324 -1.103 . . . . 3.2200000000000002 109.321 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.72 -43.06 94.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.952 -1.093 . . . . 2.21 109.072 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.48 98.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 3.5499999999999998 109.248 179.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -55.0 -57.19 12.68 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.596 -0.69 . . . . 0.52000000000000002 109.632 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.22 -35.86 50.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.6799999999999999 109.639 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.09 -53.78 48.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 109.973 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.33 -41.88 97.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.11 -0.994 . . . . 0.33000000000000002 108.814 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.571 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.6 OUTLIER -51.6 -43.78 62.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 3.02 109.104 179.489 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.02 -45.12 96.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.346 -0.846 . . . . 1.75 109.738 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.67 -44.24 97.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 109.281 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -57.82 -49.93 75.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 1.21 109.23 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.75 -37.91 88.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.249 -0.907 . . . . 1.6899999999999999 109.552 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.98 63.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.0600000000000001 109.88 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.62 -44.45 96.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 109.346 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.5 -35.12 73.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.489 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.64 66.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.248 -0.907 . . . . 1.1399999999999999 109.436 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.58 -46.71 87.06 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.344 -0.847 . . . . 2.1899999999999999 108.957 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 1.2 m-20 -58.6 -43.34 89.51 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.411 179.687 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.59 64.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 1.3100000000000001 109.809 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.21 -20.64 31.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.144 -0.973 . . . . 1.3999999999999999 109.64 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.86 -10.94 60.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.191 -0.943 . . . . 1.5700000000000001 109.254 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 23.58 7.98 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.57 -1.412 . . . . 1.53 109.57 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -85.54 109.83 18.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.285 -1.127 . . . . 4.5800000000000001 109.381 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -51.33 152.62 4.19 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.321 -0.862 . . . . 5.6799999999999997 109.4 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.73 138.12 80.37 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.083 1.189 . . . . 6.0499999999999998 110.126 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.475 -1.45 . . . . 7.2000000000000002 109.475 179.843 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.642 ' H1 ' ' HZ2' ' C' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.453 -0.573 . . . . 9.2200000000000006 109.453 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' C' ' 321' ' ' LYS . 30.1 ttpt 63.83 -73.28 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.637 -0.664 . . . . 8.5099999999999998 109.765 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.642 ' HZ2' ' H1 ' ' C' ' 319' ' ' LYS . 36.7 mmtm 58.96 149.49 0.08 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 122.002 -0.436 . . . . 7.4199999999999999 110.083 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.24 -166.8 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.202 1.268 . . . . 5.0499999999999998 110.527 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.69 169.62 17.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 5.1399999999999997 109.77 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.718 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 3.1 m-20 -80.55 -140.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.81 . . . . 2.8500000000000001 110.193 -179.558 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.04 172.1 37.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.335 -1.106 . . . . 1.27 110.335 -179.235 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.7 136.94 58.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.498 -1.001 . . . . 2.1099999999999999 109.928 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.718 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 25.7 m-85 -99.05 158.94 15.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.379 -0.826 . . . . 1.01 109.881 179.808 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.61 35.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.57999999999999996 108.981 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 51.0 p -92.55 163.9 13.64 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.299 -0.876 . . . . 1.1599999999999999 109.298 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.02 131.77 15.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 110.154 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.27 128.46 34.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.399 -0.813 . . . . 1.8100000000000001 108.833 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.2 119.67 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.488 -0.757 . . . . 1.1299999999999999 109.95 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.17 152.74 36.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.459 -0.776 . . . . 2.8199999999999998 109.937 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.75 138.76 1.86 Allowed Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.198 -1.001 . . . . 0.45000000000000001 110.684 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -83.92 -44.04 14.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -1.063 . . . . 3.0800000000000001 109.43 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.57 -43.13 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.944 -1.098 . . . . 2.54 109.087 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.41 98.49 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.36 -0.838 . . . . 4.1100000000000003 109.235 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.18 -57.13 13.02 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.573 -0.705 . . . . 0.56999999999999995 109.554 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.28 -35.7 50.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.648 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.25 -53.78 47.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.214 -0.929 . . . . 1.29 109.933 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.3 -41.92 97.78 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.187 -0.945 . . . . 0.40000000000000002 108.809 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.561 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -51.58 -43.73 62.55 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.402 -0.811 . . . . 3.8500000000000001 109.213 179.412 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.05 -45.24 95.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 1.78 109.625 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.6 -44.17 97.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 1.1699999999999999 109.293 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.83 75.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.183 -0.948 . . . . 1.2 109.267 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.75 -38.04 88.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 2.1200000000000001 109.507 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.09 62.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.773 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.59 -44.36 97.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.412 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.61 -34.98 73.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.909 . . . . 2.0899999999999999 109.543 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.7 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.3799999999999999 109.445 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.54 -46.77 86.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.346 -0.846 . . . . 2.6800000000000002 108.971 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 1.2 m-20 -58.53 -43.28 89.17 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.585 -0.697 . . . . 1.3400000000000001 109.479 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -23.63 64.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 1.3 109.774 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.09 -20.74 32.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 1.8 109.626 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.84 -10.98 60.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.883 . . . . 1.47 109.311 179.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 23.63 7.91 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.594 -1.402 . . . . 1.6599999999999999 109.594 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.58 109.95 18.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -1.165 . . . . 4.7800000000000002 109.375 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -51.47 152.61 4.43 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.427 -0.796 . . . . 6.1900000000000004 109.326 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -55.66 138.11 80.11 Favored 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 121.102 1.201 . . . . 6.1799999999999997 110.12 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 CA-C-O 117.985 -1.453 . . . . 6.9000000000000004 109.471 179.807 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.622 ' H1 ' ' HZ2' ' D' ' 321' ' ' LYS . 85.4 tttt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.38 -0.6 . . . . 7.6900000000000004 109.38 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' D' ' 321' ' ' LYS . 30.1 ttpt 63.88 -73.24 0.05 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.479 -0.763 . . . . 7.4500000000000002 109.713 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.622 ' HZ2' ' H1 ' ' D' ' 319' ' ' LYS . 36.6 mmtm 58.93 149.5 0.08 OUTLIER Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.827 -0.545 . . . . 6.8399999999999999 110.05 179.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.2 -166.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 121.183 1.255 . . . . 5.1200000000000001 110.534 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.68 169.68 17.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.433 -0.792 . . . . 4.6600000000000001 109.724 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.713 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 3.1 m-20 -80.61 -140.24 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 2.46 110.212 -179.61 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.07 172.22 37.7 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.429 -1.068 . . . . 1.0800000000000001 110.429 -179.25 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.75 136.88 58.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -1.022 . . . . 1.6699999999999999 109.898 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.713 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 25.6 m-85 -99.0 158.91 15.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.384 -0.822 . . . . 1.01 109.963 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.6 35.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.417 -0.802 . . . . 0.63 108.948 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 50.5 p -92.45 163.93 13.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.266 -0.896 . . . . 1.1299999999999999 109.382 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.01 131.76 15.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 110.148 -179.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.33 128.41 34.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 108.75 179.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.17 119.72 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.535 -0.728 . . . . 1.1499999999999999 109.94 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 152.76 36.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.792 . . . . 2.77 109.915 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.74 138.82 1.86 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 120.207 -0.997 . . . . 0.42999999999999999 110.685 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.12 -43.93 14.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.395 -1.062 . . . . 3.1200000000000001 109.323 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -43.13 93.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.031 -1.043 . . . . 2.2200000000000002 109.084 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 21.5 ttm180 -62.32 -41.44 98.54 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.298 -0.876 . . . . 3.5 109.258 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.01 -57.18 12.76 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.481 -0.762 . . . . 0.5 109.628 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.2 -35.81 50.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.261 -0.899 . . . . 1.6899999999999999 109.708 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.21 -53.82 47.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 109.927 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.252 -0.905 . . . . 0.32000000000000001 108.849 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.6 OUTLIER -51.54 -43.82 62.47 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.335 -0.853 . . . . 2.96 109.173 179.36 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.0 -45.23 95.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.378 -0.826 . . . . 1.75 109.713 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.55 -44.21 97.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 1.0800000000000001 109.319 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.86 75.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.155 -0.966 . . . . 1.22 109.221 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -37.99 88.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 1.73 109.498 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.1 62.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.783 -179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.48 -44.46 97.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 1.1100000000000001 109.397 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.58 -35.1 73.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.933 . . . . 1.9099999999999999 109.492 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.58 -50.8 65.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 109.413 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.339 -0.851 . . . . 2.1499999999999999 108.943 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.406 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 1.2 m-20 -58.56 -43.26 89.31 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.562 -0.711 . . . . 1.4399999999999999 109.463 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.67 64.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 1.3 109.684 -179.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.11 -20.78 31.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 1.3999999999999999 109.541 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.81 -10.9 60.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 1.6000000000000001 109.334 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 23.61 7.99 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.586 -1.406 . . . . 1.5 109.586 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.59 109.87 18.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.228 -1.16 . . . . 4.5499999999999998 109.401 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.47 152.6 4.46 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 5.6699999999999999 109.317 -179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -55.65 138.06 79.94 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.066 1.178 . . . . 6.1200000000000001 110.121 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.008 -1.44 . . . . 7.2699999999999996 109.502 179.77 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.344 -0.613 . . . . 7.6600000000000001 109.344 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 60.58 27.11 16.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -0.802 . . . . 7.5099999999999998 109.649 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 52.66 71.81 1.35 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 6.8099999999999996 109.834 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.58 139.07 51.99 Favored 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.539 1.493 . . . . 5.1500000000000004 109.725 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 39.3 mt -80.32 111.56 16.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.955 . . . . 4.7000000000000002 109.217 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.15 106.58 13.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 2.48 109.861 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.93 154.38 50.92 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.795 -1.322 . . . . 1.0800000000000001 109.795 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.53 125.22 22.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -1.197 . . . . 1.7 109.2 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 26.4 m-85 -96.46 149.12 22.09 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.236 -0.915 . . . . 1.04 110.328 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.54 137.87 35.8 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.544 -0.91 . . . . 0.65000000000000002 108.544 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.8 p -95.27 163.89 13.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.275 -0.89 . . . . 1.1399999999999999 108.991 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.13 131.8 15.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.043 -1.036 . . . . 1.0900000000000001 110.193 -179.106 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.65 125.39 32.44 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.354 -0.98 . . . . 1.3700000000000001 108.354 179.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.562 -0.711 . . . . 1.1499999999999999 109.726 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.402 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.5 ttt-85 -75.64 155.75 35.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.491 -0.755 . . . . 2.79 109.801 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.98 134.88 3.16 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.033 -1.227 . . . . 0.45000000000000001 110.033 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.87 -50.1 9.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -1.127 . . . . 3.1600000000000001 109.461 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.87 -40.85 81.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 2.2200000000000002 109.165 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.426 HH22 ' CG ' ' C' ' 352' ' ' ASP . 26.2 ttm180 -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 3.54 109.33 179.802 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.63 -56.46 18.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.554 -0.716 . . . . 0.5 109.585 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.31 -37.6 48.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 1.6599999999999999 109.867 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -63.51 -53.11 57.11 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.445 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.45 -42.95 99.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.039 -1.038 . . . . 0.34000000000000002 109.174 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.86 -42.5 62.67 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -0.934 . . . . 2.9399999999999999 109.298 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.09 -46.4 90.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.267 -0.896 . . . . 1.74 109.766 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.28 -44.07 97.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 109.355 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -57.38 -49.76 75.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.22 109.425 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.64 -37.35 86.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.895 . . . . 1.72 109.449 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.53 65.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 1.0700000000000001 109.798 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 48.9 mt -61.26 -43.38 98.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.217 -0.927 . . . . 1.0800000000000001 109.504 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.38 -35.98 74.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.406 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.61 -50.92 65.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.411 -0.806 . . . . 1.1499999999999999 109.171 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.45 -43.28 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 2.1400000000000001 109.07 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.499 ' CG ' HH22 ' C' ' 337' ' ' ARG . 1.3 m-20 -56.56 -33.45 66.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.571 -0.706 . . . . 1.4299999999999999 109.449 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -37.77 82.5 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 1.3 109.736 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.68 -2.55 50.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 1.4199999999999999 109.593 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.2 -81.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 1.5800000000000001 109.792 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.53 68.88 0.94 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.033 -1.227 . . . . 1.54 110.033 -179.65 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.98 -80.72 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.236 . . . . 4.5499999999999998 109.205 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 360' ' ' GLY . 15.4 mm-40 -47.5 110.03 1.24 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 5.71 109.419 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.37 4.24 0.83 Allowed 'Trans proline' 0 CA--C 1.538 0.688 0 N-CA-C 109.79 -0.889 . . . . 6.0899999999999999 109.79 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 118.036 -1.424 . . . . 7.2400000000000002 109.552 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.27 -0.641 . . . . 7.6699999999999999 109.27 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.59 27.12 16.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.537 -0.727 . . . . 7.46 109.684 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 52.66 71.85 1.34 Allowed Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.141 -0.975 . . . . 6.79 109.72 179.585 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.58 139.01 51.79 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.59 1.527 . . . . 5.1500000000000004 109.718 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 39.0 mt -80.27 111.57 16.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.95 . . . . 4.6600000000000001 109.197 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.12 107.1 13.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.401 -0.812 . . . . 2.4700000000000002 109.8 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.504 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.88 154.4 49.8 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.672 -1.371 . . . . 1.0600000000000001 109.672 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.38 125.21 22.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -1.146 . . . . 1.6100000000000001 109.222 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 25.9 m-85 -96.41 149.02 22.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.134 -0.979 . . . . 0.96999999999999997 110.417 -179.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.47 137.73 35.81 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.602 -0.888 . . . . 0.59999999999999998 108.602 179.156 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.19 163.93 13.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.279 -0.888 . . . . 1.1000000000000001 108.964 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.15 131.72 15.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 1.1000000000000001 110.256 -179.091 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.47 32.52 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.304 -0.999 . . . . 1.3600000000000001 108.304 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.92 112.02 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.542 -0.724 . . . . 1.1699999999999999 109.697 -179.161 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.75 155.79 35.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.484 -0.76 . . . . 2.79 109.709 179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.92 134.87 3.14 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.07 -1.212 . . . . 0.47999999999999998 110.07 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.93 -50.08 9.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.364 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.84 -40.87 81.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 2.21 109.148 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.459 HH22 ' CG ' ' D' ' 352' ' ' ASP . 26.1 ttm180 -62.03 -43.97 97.7 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 3.5499999999999998 109.349 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.62 -56.38 19.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.568 -0.708 . . . . 0.52000000000000002 109.625 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.43 -37.53 49.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.877 . . . . 1.6799999999999999 109.845 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.64 -53.04 57.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.331 -0.856 . . . . 1.1499999999999999 110.414 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.49 -42.81 99.36 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.09 -1.006 . . . . 0.33000000000000002 109.227 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.88 -42.46 62.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.263 -0.898 . . . . 3.02 109.348 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.09 -46.46 90.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 1.75 109.693 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.23 -44.14 97.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 1.0700000000000001 109.351 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -57.42 -49.79 75.09 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 1.21 109.269 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.62 -37.39 86.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.6899999999999999 109.434 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.73 -52.58 65.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.484 -0.76 . . . . 1.0600000000000001 109.86 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' B' ' 352' ' ' ASP . 49.0 mt -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 1.0800000000000001 109.421 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.54 -35.93 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 1.9299999999999999 109.333 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.64 -50.81 65.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 1.1399999999999999 109.209 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.58 -43.19 99.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.88 . . . . 2.1899999999999999 109.125 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.46 ' CG ' HH22 ' D' ' 337' ' ' ARG . 1.3 m-20 -56.57 -33.53 66.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.376 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.84 82.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 1.3100000000000001 109.729 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.58 -2.63 50.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 1.3999999999999999 109.66 -179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -82.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 1.5700000000000001 109.776 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.49 68.84 0.93 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.985 -1.246 . . . . 1.53 109.985 -179.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.89 -80.83 0.22 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.151 -1.205 . . . . 4.5800000000000001 109.208 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' B' ' 360' ' ' GLY . 15.3 mm-40 -47.37 109.88 1.19 Allowed Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.8 . . . . 5.6799999999999997 109.418 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.3 4.28 0.8 Allowed 'Trans proline' 0 C--O 1.214 -0.711 0 N-CA-C 109.854 -0.864 . . . . 6.0499999999999998 109.854 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 118.04 -1.422 . . . . 7.2000000000000002 109.565 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.301 -0.629 . . . . 9.2200000000000006 109.301 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 60.52 27.1 16.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.497 -0.752 . . . . 8.5099999999999998 109.667 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 52.7 71.79 1.35 Allowed Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.218 -0.926 . . . . 7.4199999999999999 109.762 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.61 139.02 51.65 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.512 1.474 . . . . 5.0499999999999998 109.773 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 39.3 mt -80.25 111.56 16.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -0.915 . . . . 5.1399999999999997 109.159 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.16 106.83 13.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 2.8500000000000001 109.883 -179.718 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.497 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -72.35 154.46 50.51 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.73 -1.348 . . . . 1.27 109.73 179.804 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.59 125.22 22.75 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.246 -1.15 . . . . 2.1099999999999999 109.202 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 25.6 m-85 -96.32 149.01 22.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.189 -0.944 . . . . 1.01 110.439 -179.446 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.51 137.65 35.67 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.579 -0.897 . . . . 0.57999999999999996 108.579 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.2 p -95.09 163.84 13.13 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.248 -0.908 . . . . 1.1599999999999999 109.048 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.05 131.8 15.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.987 . . . . 1.1699999999999999 110.175 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.64 125.26 32.32 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 179.078 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.95 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.505 -0.747 . . . . 1.1299999999999999 109.718 -179.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.4 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.5 ttt-85 -75.52 155.9 35.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 2.8199999999999998 109.728 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.77 134.94 3.09 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.062 -1.215 . . . . 0.45000000000000001 110.062 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.98 -50.03 9.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 3.0800000000000001 109.486 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.93 -40.74 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 2.54 109.141 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.499 HH22 ' CG ' ' A' ' 352' ' ' ASP . 26.2 ttm180 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.365 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.543 -0.723 . . . . 0.56999999999999995 109.604 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.28 -37.66 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.6599999999999999 109.846 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.58 -53.04 57.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.273 -0.892 . . . . 1.29 110.428 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.49 -42.91 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.119 -0.988 . . . . 0.40000000000000002 109.168 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -51.85 -42.4 62.57 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.193 -0.942 . . . . 3.8500000000000001 109.374 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.13 -46.4 90.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.887 . . . . 1.78 109.73 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.24 -44.17 97.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.1699999999999999 109.302 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.42 -49.68 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.26 -0.9 . . . . 1.2 109.365 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.67 -37.38 86.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.1200000000000001 109.446 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.51 65.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 1.0700000000000001 109.833 -179.718 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 48.5 mt -61.26 -43.23 99.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.966 . . . . 1.1399999999999999 109.475 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.59 -35.96 75.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 2.0899999999999999 109.347 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.66 -50.84 65.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 1.3799999999999999 109.152 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.41 -43.24 99.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 2.6800000000000002 109.172 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.426 ' CG ' HH22 ' A' ' 337' ' ' ARG . 1.3 m-20 -56.69 -33.36 66.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.58 -0.7 . . . . 1.3400000000000001 109.412 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.74 82.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 1.3 109.743 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.69 -2.54 50.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.251 -0.906 . . . . 1.8 109.616 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.19 -81.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 1.47 109.838 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.46 68.85 0.93 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.114 -1.195 . . . . 1.6599999999999999 110.114 -179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.98 -80.79 0.22 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.123 -1.222 . . . . 4.7800000000000002 109.118 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' C' ' 360' ' ' GLY . 15.3 mm-40 -47.4 110.02 1.23 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 6.1900000000000004 109.418 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.43 4.32 0.82 Allowed 'Trans proline' 0 CA--C 1.537 0.643 0 N-CA-C 109.777 -0.894 . . . . 6.1799999999999997 109.777 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.531 -1.428 . . . . 6.9000000000000004 109.531 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.358 -0.608 . . . . 7.6900000000000004 109.358 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm 60.67 27.09 16.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.493 -0.755 . . . . 7.4500000000000002 109.625 -179.715 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 52.71 71.76 1.36 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 6.8399999999999999 109.781 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -66.52 139.01 52.13 Favored 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.515 1.477 . . . . 5.1200000000000001 109.808 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.29 111.57 16.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.917 . . . . 4.6600000000000001 109.195 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.12 106.78 13.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.322 -0.862 . . . . 2.46 109.892 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.504 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.31 154.41 50.5 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.727 -1.349 . . . . 1.0800000000000001 109.727 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.48 125.19 22.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -1.168 . . . . 1.6699999999999999 109.238 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 25.9 m-85 -96.36 149.02 22.16 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.151 -0.968 . . . . 1.01 110.345 -179.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.49 137.72 35.76 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.666 -0.864 . . . . 0.63 108.666 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.17 163.84 13.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.239 -0.913 . . . . 1.1299999999999999 109.012 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.04 131.82 16.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 1.1000000000000001 110.163 -179.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.4 32.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.408 -0.96 . . . . 1.3700000000000001 108.408 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.95 111.97 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.543 -0.723 . . . . 1.1499999999999999 109.74 -179.151 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.55 155.84 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.426 -0.796 . . . . 2.77 109.7 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.9 134.84 3.12 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.069 -1.212 . . . . 0.42999999999999999 110.069 179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.83 -50.16 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -1.07 . . . . 3.1200000000000001 109.438 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.83 -40.89 81.11 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.971 . . . . 2.2200000000000002 109.135 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.46 HH22 ' CG ' ' B' ' 352' ' ' ASP . 26.2 ttm180 -62.13 -43.85 97.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 3.5 109.346 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.71 -56.32 20.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.523 -0.736 . . . . 0.5 109.64 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.34 -37.63 48.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.389 -0.819 . . . . 1.6899999999999999 109.851 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.55 -53.1 57.1 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 110.442 -179.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.047 -1.033 . . . . 0.32000000000000001 109.179 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.9 -42.41 62.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.96 109.353 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.07 -46.46 90.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.75 109.757 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.33 -44.01 97.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.216 -0.928 . . . . 1.0800000000000001 109.36 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.34 -49.82 74.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.262 -0.899 . . . . 1.22 109.362 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.72 -37.28 85.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.333 -0.854 . . . . 1.73 109.416 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -52.59 65.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 1.0700000000000001 109.893 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' D' ' 352' ' ' ASP . 49.6 mt -61.3 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 1.1100000000000001 109.39 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.4 -35.94 74.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.361 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.69 -50.86 65.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.827 . . . . 1.1699999999999999 109.156 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.5 -43.18 99.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 2.1499999999999999 109.061 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.459 ' CG ' HH22 ' B' ' 337' ' ' ARG . 1.3 m-20 -56.61 -33.37 66.19 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.426 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.78 82.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.914 . . . . 1.3 109.669 -179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.55 -2.72 50.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 1.3999999999999999 109.692 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.14 -81.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 1.6000000000000001 109.82 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.51 68.88 0.94 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.975 -1.25 . . . . 1.5 109.975 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.93 -80.86 0.22 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.162 -1.199 . . . . 4.5499999999999998 109.118 179.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' D' ' 360' ' ' GLY . 15.4 mm-40 -47.33 109.92 1.2 Allowed Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.43 -0.794 . . . . 5.6699999999999999 109.39 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.37 4.25 0.82 Allowed 'Trans proline' 0 C--O 1.214 -0.706 0 N-CA-C 109.833 -0.872 . . . . 6.1200000000000001 109.833 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.336 0 CA-C-O 117.973 -1.46 . . . . 7.2699999999999996 109.583 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 321' ' ' LYS . 52.6 mtpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.492 -0.558 . . . . 7.6600000000000001 109.492 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 66.2 tttt 68.94 -24.89 0.14 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.482 -0.761 . . . . 7.5099999999999998 109.838 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' A' ' 319' ' ' LYS . 53.5 mttm 55.83 68.76 2.19 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 6.8099999999999996 110.133 179.598 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.25 -153.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.408 1.405 . . . . 5.1500000000000004 109.661 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.53 105.7 11.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 4.7000000000000002 109.404 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -81.09 -120.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 2.48 109.441 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.95 158.61 53.06 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.421 -1.472 . . . . 1.0800000000000001 109.421 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.47 135.98 57.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.206 -1.173 . . . . 1.7 109.468 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.16 159.46 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -0.91 . . . . 1.04 109.778 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.46 -170.75 3.06 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 109.387 -179.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.1 118.85 5.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.317 -0.864 . . . . 1.1399999999999999 109.007 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.34 137.99 42.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.541 -0.725 . . . . 1.0900000000000001 109.709 -179.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.77 130.46 34.84 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.59 114.03 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.5 134.35 40.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.566 -0.708 . . . . 2.79 109.393 179.466 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.06 144.17 12.57 Favored Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.881 -1.288 . . . . 0.45000000000000001 109.881 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -84.97 -55.68 3.94 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.421 -1.046 . . . . 3.1600000000000001 109.72 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.19 -37.02 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.306 -0.871 . . . . 2.2200000000000002 109.482 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.64 -45.04 95.74 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.349 -0.844 . . . . 3.54 109.161 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.47 -57.81 10.34 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.53 -0.731 . . . . 0.5 109.763 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.61 -37.19 48.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.671 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -53.15 56.1 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 1.1499999999999999 110.128 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -45.07 95.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.228 -0.92 . . . . 0.34000000000000002 108.969 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.47 -43.22 55.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.167 -0.958 . . . . 2.9399999999999999 109.293 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.89 -45.43 92.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 1.74 109.843 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.56 -45.27 94.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.178 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.16 -49.79 75.77 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.319 -0.863 . . . . 1.22 109.464 179.825 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.76 -36.22 82.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 1.72 109.673 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.01 51.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 1.0700000000000001 109.899 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.79 -43.92 97.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 1.0800000000000001 109.427 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.49 72.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.406 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.3 -48.64 74.86 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 1.1499999999999999 109.422 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.9 -47.23 84.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.374 -0.829 . . . . 2.1400000000000001 108.863 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.53 -41.69 81.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.352 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.51 64.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 1.3 109.731 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -83.47 -15.05 51.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 1.4199999999999999 109.687 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.29 -2.95 20.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 1.5800000000000001 109.314 179.586 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.2 51.88 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.905 -1.278 . . . . 1.54 109.905 -179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.99 118.37 24.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.086 -1.243 . . . . 4.5499999999999998 109.335 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -51.37 152.44 4.42 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.258 -0.901 . . . . 5.71 109.352 -179.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.93 147.83 60.71 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 C-N-CA 121.048 1.165 . . . . 6.0899999999999999 110.109 179.469 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.999 -1.445 . . . . 7.2400000000000002 109.74 179.842 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' B' ' 321' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.537 -0.542 . . . . 7.6699999999999999 109.537 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 66.3 tttt 68.98 -24.9 0.14 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 7.46 109.806 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.563 ' H ' ' C ' ' B' ' 319' ' ' LYS . 53.6 mttm 55.86 68.76 2.18 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.151 -0.968 . . . . 6.79 110.101 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -153.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 121.443 1.429 . . . . 5.1500000000000004 109.67 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.53 105.8 11.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.057 -1.027 . . . . 4.6600000000000001 109.35 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -81.18 -120.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.373 -0.829 . . . . 2.4700000000000002 109.362 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 158.62 52.97 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.469 -1.452 . . . . 1.0600000000000001 109.469 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.55 135.96 57.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -1.167 . . . . 1.6100000000000001 109.462 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -93.12 159.49 15.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.695 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.48 -170.7 3.05 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.316 -0.865 . . . . 0.59999999999999998 109.381 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.08 118.91 5.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 109.037 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.6 tp -105.39 137.95 42.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.45 -0.781 . . . . 1.1000000000000001 109.723 -179.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.81 130.43 34.87 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.682 -0.858 . . . . 1.3600000000000001 108.682 178.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.6 113.96 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.405 -0.809 . . . . 1.1699999999999999 109.707 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.59 134.34 40.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.606 -0.684 . . . . 2.79 109.332 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.2 12.52 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 109.864 -1.294 . . . . 0.47999999999999998 109.864 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.03 -55.69 3.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -1.076 . . . . 3.2200000000000002 109.747 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.23 -37.01 71.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.321 -0.862 . . . . 2.21 109.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.54 -45.07 95.73 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.349 -0.845 . . . . 3.5499999999999998 109.14 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.55 -57.76 10.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.564 -0.71 . . . . 0.52000000000000002 109.724 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.58 -37.33 49.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 1.6799999999999999 109.679 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.53 -53.12 56.78 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 110.146 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.32 -45.06 96.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.173 -0.954 . . . . 0.33000000000000002 108.963 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.51 -43.16 55.65 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 3.02 109.353 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.84 -45.48 92.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.75 109.856 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.66 -45.21 95.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 109.188 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.09 -49.84 75.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 1.21 109.445 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.618 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.96 52.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 1.0600000000000001 109.844 -179.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.73 -44.07 97.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.0800000000000001 109.433 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.25 -34.44 72.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.52 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -48.67 74.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 1.1399999999999999 109.391 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.83 -47.32 83.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.921 . . . . 2.1899999999999999 108.804 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.46 -41.77 81.21 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.553 -0.717 . . . . 1.4299999999999999 109.357 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.39 64.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 1.3100000000000001 109.751 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -83.5 -15.04 50.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.174 -0.954 . . . . 1.3999999999999999 109.651 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.38 -2.94 21.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 1.5700000000000001 109.197 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.22 51.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.893 -1.283 . . . . 1.53 109.893 -179.658 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.95 118.37 24.5 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.1 -1.235 . . . . 4.5800000000000001 109.359 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.42 152.47 4.47 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.266 -0.896 . . . . 5.6799999999999997 109.3 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.91 147.73 61.0 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 121.093 1.195 . . . . 6.0499999999999998 110.1 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.966 -1.463 . . . . 7.2000000000000002 109.727 179.817 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' C' ' 321' ' ' LYS . 52.6 mtpt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.467 -0.568 . . . . 9.2200000000000006 109.467 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 66.4 tttt 68.91 -24.96 0.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.458 -0.776 . . . . 8.5099999999999998 109.813 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.573 ' H ' ' C ' ' C' ' 319' ' ' LYS . 53.3 mttm 55.84 68.76 2.19 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.203 -0.935 . . . . 7.4199999999999999 110.165 179.663 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.34 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.423 1.415 . . . . 5.0499999999999998 109.618 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 105.75 11.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.07 -1.019 . . . . 5.1399999999999997 109.341 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -81.17 -120.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 2.8500000000000001 109.41 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 158.63 53.1 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.369 -1.493 . . . . 1.27 109.369 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.6 136.03 57.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -1.148 . . . . 2.1099999999999999 109.47 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -93.15 159.42 15.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.306 -0.872 . . . . 1.01 109.775 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.42 -170.74 3.06 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.449 -0.782 . . . . 0.57999999999999996 109.329 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -153.12 118.84 5.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.258 -0.901 . . . . 1.1599999999999999 108.983 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.8 tp -105.3 137.87 42.41 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.498 -0.751 . . . . 1.1699999999999999 109.794 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.72 130.43 34.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.602 -0.888 . . . . 1.8100000000000001 108.602 178.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.0 mt -123.63 113.97 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.341 -0.849 . . . . 1.1299999999999999 109.739 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.19 40.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.557 -0.715 . . . . 2.8199999999999998 109.45 179.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.23 12.54 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.911 -1.276 . . . . 0.45000000000000001 109.911 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.0 -55.77 3.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.265 -1.138 . . . . 3.0800000000000001 109.646 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.18 -36.99 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 2.54 109.48 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.66 -45.01 95.86 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.306 -0.871 . . . . 4.1100000000000003 109.19 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.51 -57.81 10.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.535 -0.728 . . . . 0.56999999999999995 109.735 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.62 -37.24 49.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.73 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.48 -53.22 55.44 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.167 -0.958 . . . . 1.29 110.154 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.2 -45.2 95.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.40000000000000002 108.925 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.5 -43.2 55.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.302 -0.873 . . . . 3.8500000000000001 109.274 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.82 -45.57 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.78 109.819 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.49 -45.23 95.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -0.91 . . . . 1.1699999999999999 109.239 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.17 -49.75 75.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.231 -0.918 . . . . 1.2 109.478 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.75 -36.36 82.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1200000000000001 109.617 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.39 -54.19 49.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 109.939 -179.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.7 -43.85 98.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 1.1399999999999999 109.544 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.35 -34.49 72.44 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.466 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.24 -48.68 74.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.179 -0.95 . . . . 1.3799999999999999 109.437 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.89 -47.22 84.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.346 -0.846 . . . . 2.6800000000000002 108.821 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -57.56 -41.71 81.57 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.563 -0.71 . . . . 1.3400000000000001 109.353 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -22.43 64.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.383 -0.823 . . . . 1.3 109.725 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -83.51 -14.97 51.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 1.8 109.677 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -2.95 21.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.307 -0.871 . . . . 1.47 109.263 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.97 8.29 51.53 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.92 -1.272 . . . . 1.6599999999999999 109.92 -179.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.98 118.33 24.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.084 -1.245 . . . . 4.7800000000000002 109.36 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.43 152.44 4.53 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.847 . . . . 6.1900000000000004 109.284 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.81 147.79 59.63 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 121.075 1.183 . . . . 6.1799999999999997 110.081 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 117.909 -1.495 . . . . 6.9000000000000004 109.695 179.762 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' D' ' 321' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.5 -0.556 . . . . 7.6900000000000004 109.5 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 68.98 -24.93 0.14 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 7.4500000000000002 109.764 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.566 ' H ' ' C ' ' D' ' 319' ' ' LYS . 53.4 mttm 55.82 68.75 2.2 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.104 -0.997 . . . . 6.8399999999999999 110.148 179.642 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.26 -153.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.472 1.448 . . . . 5.1200000000000001 109.568 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.55 105.78 11.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.096 -1.003 . . . . 4.6600000000000001 109.329 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -81.14 -120.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 2.46 109.386 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.91 158.62 52.99 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.468 -1.453 . . . . 1.0800000000000001 109.468 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.54 136.01 57.45 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -1.177 . . . . 1.6699999999999999 109.455 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.17 159.52 15.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.292 -0.88 . . . . 1.01 109.684 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.54 -170.76 3.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.832 . . . . 0.63 109.332 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.11 118.73 5.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.197 -0.939 . . . . 1.1299999999999999 109.106 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.26 137.89 42.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.553 -0.717 . . . . 1.1000000000000001 109.764 -179.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.82 130.56 34.83 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.546 -0.909 . . . . 1.3700000000000001 108.546 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.74 113.92 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.407 -0.808 . . . . 1.1499999999999999 109.664 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.38 40.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.589 -0.695 . . . . 2.77 109.406 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.1 144.24 12.6 Favored Glycine 0 N--CA 1.5 2.905 0 N-CA-C 109.86 -1.296 . . . . 0.42999999999999999 109.86 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.08 -55.68 3.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.391 -1.064 . . . . 3.1200000000000001 109.659 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.828 . . . . 2.2200000000000002 109.434 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.7 -45.03 95.75 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.297 -0.877 . . . . 3.5 109.171 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.56 -57.81 10.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.601 -0.687 . . . . 0.5 109.634 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.55 -37.32 48.97 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 109.675 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.52 -53.2 55.65 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.234 -0.916 . . . . 1.1399999999999999 110.133 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.24 -45.13 95.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.95 . . . . 0.32000000000000001 108.94 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.53 -43.18 55.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.222 -0.924 . . . . 2.96 109.31 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.9 -45.49 92.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.75 109.796 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.53 -45.31 94.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 1.0800000000000001 109.233 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.1 -49.81 75.67 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.335 -0.853 . . . . 1.22 109.458 179.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.76 -36.19 82.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.262 -0.899 . . . . 1.73 109.63 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.02 51.72 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.88 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 1.1100000000000001 109.472 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.53 72.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.438 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.2 -48.74 74.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 1.1699999999999999 109.46 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.88 -47.26 84.08 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.352 -0.843 . . . . 2.1499999999999999 108.767 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.5 -41.69 81.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.576 -0.702 . . . . 1.4399999999999999 109.378 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.808 . . . . 1.3 109.737 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -83.51 -14.91 51.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.088 -1.008 . . . . 1.3999999999999999 109.682 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.89 21.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 1.6000000000000001 109.231 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.24 51.65 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.897 -1.281 . . . . 1.5 109.897 -179.706 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.02 118.29 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.015 -1.285 . . . . 4.5499999999999998 109.358 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.32 152.44 4.33 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 5.6699999999999999 109.342 -179.668 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.91 147.8 60.7 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 C-N-CA 121.132 1.221 . . . . 6.1200000000000001 110.058 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 117.973 -1.459 . . . . 7.2699999999999996 109.747 179.816 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 320' ' ' LYS . 91.9 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.449 -0.574 . . . . 7.6600000000000001 109.449 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 319' ' ' LYS . 39.0 tttp 60.88 136.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.577 -0.702 . . . . 7.5099999999999998 109.933 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 57.57 67.72 2.28 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 6.8099999999999996 109.777 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.82 109.19 2.07 Favored 'Trans proline' 0 C--N 1.318 -1.032 0 C-N-CA 121.907 1.738 . . . . 5.1500000000000004 110.695 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.53 19.6 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.208 -0.932 . . . . 4.7000000000000002 108.734 178.814 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.51 -176.47 4.26 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 2.48 110.337 -179.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.422 ' H ' ' CZ ' ' C' ' 333' ' ' ARG . . . -69.48 -177.17 16.71 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.794 -0.922 . . . . 1.0800000000000001 110.794 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.52 148.9 36.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.602 -0.94 . . . . 1.7 110.41 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.22 161.66 13.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.568 -0.708 . . . . 1.04 109.464 179.166 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.38 -170.39 2.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.345 -0.847 . . . . 0.65000000000000002 109.384 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.9 p -153.96 125.03 7.32 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.089 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.7 tp -116.8 139.61 50.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.507 -0.746 . . . . 1.0900000000000001 109.947 -178.657 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 17.8 tt0 -87.66 129.68 35.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.656 -0.653 . . . . 1.3700000000000001 109.278 179.147 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -124.1 118.08 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.546 -0.721 . . . . 1.1499999999999999 109.082 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.53 152.67 39.31 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 2.79 109.577 -179.891 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 86.06 137.61 4.6 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.537 -1.025 . . . . 0.45000000000000001 110.537 178.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.72 -51.76 11.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.511 -0.993 . . . . 3.1600000000000001 109.278 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.0 -38.6 76.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 2.2200000000000002 109.175 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.652 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.81 -44.94 90.94 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.357 -0.839 . . . . 3.54 109.723 179.884 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.41 -57.42 11.92 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.526 -0.734 . . . . 0.5 109.729 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -51.45 -39.95 58.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 1.6599999999999999 110.145 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -63.21 -51.1 67.66 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.071 -1.018 . . . . 1.1499999999999999 110.249 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.01 -44.6 96.37 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.103 -0.998 . . . . 0.34000000000000002 109.063 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -50.86 -42.74 59.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 2.9399999999999999 109.175 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -59.67 -45.79 90.99 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.224 -0.922 . . . . 1.74 109.569 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.58 -48.42 81.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 1.0700000000000001 109.209 179.781 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 45.8 t-20 -58.2 -48.64 79.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.387 -0.82 . . . . 1.22 109.654 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -61.56 -38.19 86.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 1.72 109.463 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.78 -52.49 65.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.0700000000000001 109.723 -179.644 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.86 -41.55 97.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 1.0800000000000001 109.356 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.28 -38.02 76.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.196 179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.69 -49.19 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.837 . . . . 1.1499999999999999 109.242 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.03 -40.16 94.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.853 . . . . 2.1400000000000001 108.982 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.32 -34.53 66.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.5 -0.75 . . . . 1.4299999999999999 109.526 179.689 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.64 75.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 1.3 109.602 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -80.57 1.1 31.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 1.4199999999999999 109.524 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.58 -86.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 1.5800000000000001 109.332 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.33 89.03 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.465 -1.454 . . . . 1.54 109.465 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -86.76 -75.01 0.41 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.215 -1.167 . . . . 4.5499999999999998 109.282 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.97 155.42 1.57 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 5.71 109.429 -179.612 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.84 157.17 20.65 Favored 'Trans proline' 0 C--N 1.322 -0.83 0 C-N-CA 121.292 1.328 . . . . 6.0899999999999999 110.208 179.245 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 118.016 -1.435 . . . . 7.2400000000000002 109.667 179.721 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 320' ' ' LYS . 92.6 mttt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.41 -0.589 . . . . 7.6699999999999999 109.41 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 319' ' ' LYS . 39.2 tttp 60.96 136.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.504 -0.748 . . . . 7.46 109.887 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 38.1 tttp 57.43 67.69 2.33 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 6.79 109.791 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.82 109.15 2.05 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.905 1.736 . . . . 5.1500000000000004 110.714 -179.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.53 19.76 1.52 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.195 -0.941 . . . . 4.6600000000000001 108.763 178.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -77.53 -176.07 4.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 2.4700000000000002 110.302 -179.066 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.417 ' H ' ' CZ ' ' D' ' 333' ' ' ARG . . . -69.91 -177.17 18.96 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.752 -0.939 . . . . 1.0600000000000001 110.752 -178.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 148.69 37.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.675 -0.897 . . . . 1.6100000000000001 110.292 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -100.13 161.82 13.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.53 -0.731 . . . . 0.96999999999999997 109.343 179.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.5 -170.4 2.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.397 -0.815 . . . . 0.59999999999999998 109.371 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.8 p -153.95 125.19 7.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.398 -0.814 . . . . 1.1000000000000001 109.037 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.82 139.54 50.48 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.556 0.693 . . . . 1.1000000000000001 109.847 -178.613 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.506 ' O ' ' ND2' ' D' ' 345' ' ' ASN . 17.7 tt0 -87.68 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.571 -0.705 . . . . 1.3600000000000001 109.27 179.059 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -124.16 118.24 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.503 -0.748 . . . . 1.1699999999999999 109.104 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.586 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.65 152.74 39.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.211 -0.93 . . . . 2.79 109.572 -179.89 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.495 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 85.75 137.54 4.4 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.509 -1.037 . . . . 0.47999999999999998 110.509 178.626 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -75.39 -51.98 11.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.621 -0.929 . . . . 3.2200000000000002 109.308 179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.03 -38.34 76.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 2.21 109.188 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.646 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.92 -45.05 91.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.217 -0.927 . . . . 3.5499999999999998 109.712 179.8 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.28 -57.47 11.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.518 -0.739 . . . . 0.52000000000000002 109.72 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.41 -40.01 58.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 110.152 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.23 -51.06 67.79 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.116 -0.99 . . . . 1.1499999999999999 110.206 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.01 -44.65 96.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.188 -0.945 . . . . 0.33000000000000002 109.051 -179.691 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -50.68 -42.79 57.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.251 -0.905 . . . . 3.02 109.194 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -59.76 -45.79 91.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.341 -0.849 . . . . 1.75 109.499 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.59 -48.41 81.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 1.0700000000000001 109.27 179.761 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 45.6 t-20 -58.11 -48.72 79.34 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 1.21 109.625 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.6 -38.1 86.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.6899999999999999 109.504 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.77 -52.52 65.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.329 -0.857 . . . . 1.0600000000000001 109.756 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.84 -41.53 97.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.964 . . . . 1.0800000000000001 109.423 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -58.29 -38.04 76.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.9299999999999999 109.198 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.77 -49.03 74.56 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.239 -0.913 . . . . 1.1399999999999999 109.279 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.05 -40.16 94.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 2.1899999999999999 108.965 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -56.41 -34.47 66.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.5 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.62 76.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 1.3100000000000001 109.653 -179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -80.66 1.03 31.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 1.3999999999999999 109.578 -179.851 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.6 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.125 -0.985 . . . . 1.5700000000000001 109.299 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.18 89.01 0.69 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.529 -1.428 . . . . 1.53 109.529 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -86.79 -75.13 0.4 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.186 -1.184 . . . . 4.5800000000000001 109.241 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.14 155.43 1.65 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.383 -0.823 . . . . 5.6799999999999997 109.461 -179.554 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.97 156.86 22.22 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 C-N-CA 121.276 1.317 . . . . 6.0499999999999998 110.264 179.277 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.974 -1.459 . . . . 7.2000000000000002 109.621 179.757 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 320' ' ' LYS . 92.3 mttt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.426 -0.583 . . . . 9.2200000000000006 109.426 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 319' ' ' LYS . 38.9 tttp 60.91 136.23 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.511 -0.743 . . . . 8.5099999999999998 109.873 179.805 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 37.9 tttp 57.51 67.55 2.37 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.293 -0.879 . . . . 7.4199999999999999 109.793 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.69 109.13 2.02 Favored 'Trans proline' 0 C--N 1.317 -1.088 0 C-N-CA 121.93 1.753 . . . . 5.0499999999999998 110.764 -179.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.5 19.84 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.108 -0.995 . . . . 5.1399999999999997 108.696 178.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -77.6 -176.39 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 2.8500000000000001 110.289 -179.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.401 ' H ' ' CZ ' ' A' ' 333' ' ' ARG . . . -69.67 -176.98 17.15 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.838 -0.905 . . . . 1.27 110.838 -179.059 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.61 148.91 36.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.607 -0.937 . . . . 2.1099999999999999 110.34 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.22 161.64 13.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.486 -0.759 . . . . 1.01 109.424 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.27 -170.37 2.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.322 -0.862 . . . . 0.57999999999999996 109.405 -179.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.0 p -154.01 124.95 7.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.308 -0.87 . . . . 1.1599999999999999 109.096 -179.673 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.72 139.66 50.3 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.665 -0.647 . . . . 1.1699999999999999 109.963 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.483 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 17.8 tt0 -87.69 129.67 35.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.634 -0.666 . . . . 1.8100000000000001 109.273 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -124.05 118.2 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.469 -0.769 . . . . 1.1299999999999999 109.103 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.571 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.58 152.7 39.25 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.231 -0.918 . . . . 2.8199999999999998 109.565 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.502 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 86.05 137.8 4.66 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.494 -1.042 . . . . 0.45000000000000001 110.494 178.6 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.78 -51.92 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.479 -1.012 . . . . 3.0800000000000001 109.278 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.63 76.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.908 . . . . 2.54 109.172 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.652 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.77 -45.1 90.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.251 -0.906 . . . . 4.1100000000000003 109.624 179.901 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -57.49 11.6 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.518 -0.739 . . . . 0.56999999999999995 109.725 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.4 -40.05 58.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 110.093 -179.571 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.062 -1.024 . . . . 1.29 110.211 -179.058 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.237 -0.914 . . . . 0.40000000000000002 109.067 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.7 -42.82 57.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 3.8500000000000001 109.236 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.192 -0.942 . . . . 1.78 109.553 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.64 -48.4 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 1.1699999999999999 109.209 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 45.5 t-20 -58.14 -48.67 79.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 1.2 109.636 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.56 -38.07 86.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.461 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.62 64.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.82 -179.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.76 -41.54 97.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 109.375 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -58.26 -38.11 76.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 2.0899999999999999 109.254 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.74 -49.09 74.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 1.3799999999999999 109.204 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.06 -40.15 94.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.373 -0.83 . . . . 2.6800000000000002 108.981 179.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.44 -34.59 66.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.529 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.53 76.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 1.3 109.69 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.496 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 59.4 mt-30 -80.71 1.04 31.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.289 -0.882 . . . . 1.8 109.493 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -86.75 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.19 -0.944 . . . . 1.47 109.377 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.17 89.16 0.69 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.482 -1.447 . . . . 1.6599999999999999 109.482 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -86.92 -74.99 0.41 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.162 -1.199 . . . . 4.7800000000000002 109.195 179.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.95 155.47 1.55 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.821 . . . . 6.1900000000000004 109.41 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.76 156.9 21.27 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.332 1.355 . . . . 6.1799999999999997 110.203 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 117.956 -1.469 . . . . 6.9000000000000004 109.731 179.678 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 320' ' ' LYS . 92.2 mttt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.405 -0.591 . . . . 7.6900000000000004 109.405 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 319' ' ' LYS . 39.1 tttp 60.82 136.24 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.461 -0.774 . . . . 7.4500000000000002 109.924 179.814 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 37.9 tttp 57.41 67.65 2.35 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 6.8399999999999999 109.724 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.72 109.19 2.04 Favored 'Trans proline' 0 C--N 1.319 -0.997 0 C-N-CA 121.865 1.71 . . . . 5.1200000000000001 110.804 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.54 19.83 1.51 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.156 -0.965 . . . . 4.6600000000000001 108.757 178.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.63 -176.36 4.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.433 -0.792 . . . . 2.46 110.261 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 -176.79 16.34 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.758 -0.937 . . . . 1.0800000000000001 110.758 -178.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.87 148.92 37.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.632 -0.922 . . . . 1.6699999999999999 110.313 -179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.34 161.42 13.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 1.01 109.325 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.15 -170.48 2.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.271 -0.893 . . . . 0.63 109.332 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -153.75 125.29 7.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.1299999999999999 109.008 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.9 139.54 50.51 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.605 -0.685 . . . . 1.1000000000000001 109.901 -178.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.486 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 17.7 tt0 -87.69 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.215 -0.661 . . . . 1.3700000000000001 109.215 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -124.12 118.18 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.471 -0.768 . . . . 1.1499999999999999 109.119 179.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.596 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.66 152.69 39.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 2.77 109.513 -179.826 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 85.98 137.8 4.62 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.466 -1.054 . . . . 0.42999999999999999 110.466 178.585 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -75.63 -52.02 11.49 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.466 -1.02 . . . . 3.1200000000000001 109.275 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.49 76.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 2.2200000000000002 109.166 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.645 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.93 -44.97 91.44 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 3.5 109.725 179.891 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.32 -57.37 12.12 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.595 -0.69 . . . . 0.5 109.793 -179.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.44 -40.06 58.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 1.6899999999999999 110.078 -179.647 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -63.33 -50.93 68.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.059 -1.026 . . . . 1.1399999999999999 110.216 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.01 -44.6 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.148 -0.97 . . . . 0.32000000000000001 109.136 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.81 -42.79 58.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.96 109.201 179.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -59.66 -45.75 91.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 1.75 109.548 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.62 -48.42 80.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.193 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 45.6 t-20 -58.23 -48.63 79.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 1.22 109.661 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.54 -38.1 86.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.892 . . . . 1.73 109.453 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.74 -52.65 64.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 1.0700000000000001 109.797 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.79 -41.59 97.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 1.1100000000000001 109.279 -179.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.31 -37.99 76.19 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.185 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.79 -49.16 74.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.1699999999999999 109.226 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.332 -0.855 . . . . 2.1499999999999999 108.944 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.46 -34.53 66.98 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.519 -0.738 . . . . 1.4399999999999999 109.567 179.677 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.51 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.163 -0.961 . . . . 1.3 109.698 -179.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.496 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 59.3 mt-30 -80.6 1.0 31.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 1.3999999999999999 109.497 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -86.73 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 1.6000000000000001 109.342 179.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.27 89.16 0.7 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.48 -1.448 . . . . 1.5 109.48 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -86.84 -74.96 0.41 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.219 -1.165 . . . . 4.5499999999999998 109.278 179.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.04 155.51 1.58 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.434 -0.791 . . . . 5.6699999999999999 109.514 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.96 157.0 21.61 Favored 'Trans proline' 0 C--N 1.322 -0.847 0 C-N-CA 121.196 1.264 . . . . 6.1200000000000001 110.17 179.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 117.965 -1.464 . . . . 7.2699999999999996 109.647 179.716 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.41 -0.589 . . . . 7.6600000000000001 109.41 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.31 62.65 2.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.955 . . . . 7.5099999999999998 109.185 -179.767 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.462 ' CB ' ' HZ3' ' A' ' 321' ' ' LYS . 2.2 ttmp? 54.75 62.87 7.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.403 -0.811 . . . . 6.8099999999999996 109.927 -179.576 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -65.97 131.0 25.85 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.424 1.416 . . . . 5.1500000000000004 109.658 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.56 90.44 5.71 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.023 . . . . 4.7000000000000002 108.999 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.36 -158.17 0.36 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.496 -0.753 . . . . 2.48 109.897 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 170.36 42.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.721 -1.352 . . . . 1.0800000000000001 109.721 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.64 139.9 57.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -1.11 . . . . 1.7 109.732 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -93.75 156.74 16.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 1.04 109.301 179.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.22 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.226 -0.921 . . . . 0.65000000000000002 109.338 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.3 p -150.35 151.07 32.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.307 -0.871 . . . . 1.1399999999999999 108.683 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.4 132.83 23.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 1.0900000000000001 109.601 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.53 127.6 34.13 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.586 -0.894 . . . . 1.3700000000000001 108.586 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.42 116.34 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.49 -0.756 . . . . 1.1499999999999999 109.222 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.68 154.57 36.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.475 -0.766 . . . . 2.79 110.109 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 136.68 2.47 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.566 -1.014 . . . . 0.45000000000000001 110.566 179.02 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 41.4 ttm-85 -81.64 -45.76 15.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.441 -1.034 . . . . 3.1600000000000001 109.078 179.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -57.64 -47.72 81.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.064 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -62.55 -42.84 99.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.311 -0.868 . . . . 3.54 109.038 179.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -55.34 -58.47 7.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.707 -0.621 . . . . 0.5 109.768 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.29 -37.28 46.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.346 -0.846 . . . . 1.6599999999999999 109.93 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.86 -50.59 68.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.338 -179.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.028 -1.045 . . . . 0.34000000000000002 109.387 -179.675 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 342' ' ' ARG . 12.9 ttm-85 -51.3 -42.67 61.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.071 -1.018 . . . . 2.9399999999999999 109.176 179.57 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.3 -45.21 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.74 109.945 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.19 -43.42 98.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.107 -0.996 . . . . 1.0700000000000001 109.29 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.34 -51.29 70.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.203 -0.936 . . . . 1.22 109.348 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.67 -34.44 77.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 1.72 109.521 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.92 -53.36 59.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.352 -0.843 . . . . 1.0700000000000001 109.857 -179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.24 -43.71 98.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 1.0800000000000001 109.286 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -58.34 -39.86 80.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.16 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.3 -37.81 88.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.247 -0.908 . . . . 1.1499999999999999 109.035 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.89 -43.8 98.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.597 -0.89 . . . . 2.1400000000000001 108.597 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.29 -36.09 68.24 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.252 -0.648 . . . . 1.4299999999999999 109.252 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.87 66.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.316 -0.865 . . . . 1.3 109.037 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.37 -11.68 58.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 1.4199999999999999 109.262 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.94 -83.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 1.5800000000000001 109.483 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 73.83 0.52 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.546 -1.422 . . . . 1.54 109.546 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.16 133.09 33.88 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.305 -1.115 . . . . 4.5499999999999998 109.482 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -50.98 152.68 3.55 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.901 . . . . 5.71 108.972 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.85 142.34 84.13 Favored 'Trans proline' 0 C--N 1.323 -0.807 0 C-N-CA 120.983 1.122 . . . . 6.0899999999999999 109.871 179.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.562 -1.415 . . . . 7.2400000000000002 109.562 -179.971 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.431 -0.581 . . . . 7.6699999999999999 109.431 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.25 62.74 2.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.22 -0.925 . . . . 7.46 109.161 -179.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.463 ' CB ' ' HZ3' ' B' ' 321' ' ' LYS . 2.2 ttmp? 54.72 62.85 7.72 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.326 -0.859 . . . . 6.79 109.94 -179.613 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -65.97 131.0 25.82 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.394 1.396 . . . . 5.1500000000000004 109.703 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.5 90.35 5.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.007 . . . . 4.6600000000000001 108.996 179.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.28 -158.09 0.35 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 2.4700000000000002 109.904 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.74 170.3 43.49 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.685 -1.366 . . . . 1.0600000000000001 109.685 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.56 139.94 57.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.283 -1.128 . . . . 1.6100000000000001 109.751 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -93.75 156.8 16.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.917 . . . . 0.96999999999999997 109.276 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.28 -174.18 3.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.59999999999999998 109.281 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -150.32 151.02 32.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 108.693 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.32 132.81 23.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 1.1000000000000001 109.61 -178.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.58 34.14 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.236 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.6 mt -123.39 116.37 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.549 -0.719 . . . . 1.1699999999999999 109.237 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.67 154.56 36.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 2.79 110.092 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.28 136.7 2.43 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.567 -1.013 . . . . 0.47999999999999998 110.567 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 41.5 ttm-85 -81.68 -45.71 15.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -1.037 . . . . 3.2200000000000002 109.051 179.421 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.69 -47.68 81.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.884 . . . . 2.21 109.104 179.815 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.5 -43.0 99.88 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 3.5499999999999998 108.988 179.734 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.3 -58.43 7.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.674 -0.641 . . . . 0.52000000000000002 109.785 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.35 -37.28 47.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.908 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.73 -50.62 68.42 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.197 -0.94 . . . . 1.1499999999999999 110.456 -179.312 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.66 -43.47 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.076 -1.015 . . . . 0.33000000000000002 109.41 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -51.26 -42.79 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.082 . . . . 3.02 109.124 179.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.23 -45.15 95.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.32 -0.863 . . . . 1.75 109.999 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.2 -43.53 98.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.261 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.2 -51.39 69.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.213 -0.929 . . . . 1.21 109.35 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.67 -34.43 77.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.875 . . . . 1.6899999999999999 109.549 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -53.45 58.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.369 -0.832 . . . . 1.0600000000000001 109.9 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.25 -43.68 98.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 109.194 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.45 -39.82 80.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.164 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.31 -37.72 88.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.314 -0.866 . . . . 1.1399999999999999 109.071 179.689 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.94 -43.84 98.0 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.588 -0.893 . . . . 2.1899999999999999 108.588 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.24 -36.1 68.13 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.228 -0.656 . . . . 1.4299999999999999 109.228 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -25.89 66.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 1.3100000000000001 109.021 179.743 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.49 -11.56 58.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -0.847 . . . . 1.3999999999999999 109.272 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.1 -83.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.832 . . . . 1.5700000000000001 109.487 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.12 73.89 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.488 -1.445 . . . . 1.53 109.488 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -86.2 133.11 33.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -1.156 . . . . 4.5800000000000001 109.509 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -51.0 152.7 3.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 5.6799999999999997 108.925 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.88 142.33 84.38 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.04 1.16 . . . . 6.0499999999999998 109.826 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.033 -1.426 . . . . 7.2000000000000002 109.54 179.918 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.5 -0.556 . . . . 9.2200000000000006 109.5 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.34 62.72 2.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.143 -0.973 . . . . 8.5099999999999998 109.189 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.466 ' CB ' ' HZ3' ' C' ' 321' ' ' LYS . 2.2 ttmp? 54.69 62.88 7.7 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 7.4199999999999999 109.936 -179.579 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.02 130.94 25.6 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.434 1.423 . . . . 5.0499999999999998 109.676 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.47 90.43 5.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.087 -1.008 . . . . 5.1399999999999997 109.032 179.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.36 -158.2 0.36 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.524 -0.735 . . . . 2.8500000000000001 109.859 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.52 170.38 42.66 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.738 -1.345 . . . . 1.27 109.738 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.7 139.87 57.71 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -1.144 . . . . 2.1099999999999999 109.744 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.75 156.79 16.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.306 -0.871 . . . . 1.01 109.289 179.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.26 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.57999999999999996 109.304 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -150.39 151.02 32.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.27 -0.894 . . . . 1.1599999999999999 108.681 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.5 tp -143.37 132.83 23.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.3 -0.875 . . . . 1.1699999999999999 109.584 -178.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.6 34.15 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.617 -0.883 . . . . 1.8100000000000001 108.617 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.4 116.34 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.534 -0.729 . . . . 1.1299999999999999 109.193 -179.543 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.66 154.59 36.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.747 . . . . 2.8199999999999998 110.06 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 136.7 2.46 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.507 -1.037 . . . . 0.45000000000000001 110.507 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -81.68 -45.72 15.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -1.063 . . . . 3.0800000000000001 109.055 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.68 -47.69 81.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.85 . . . . 2.54 109.088 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.44 -42.98 99.86 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.371 -0.83 . . . . 4.1100000000000003 109.123 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.24 -58.45 7.63 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.556 -0.715 . . . . 0.56999999999999995 109.822 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.42 -37.11 46.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.964 -179.574 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.89 -50.55 68.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.19 -0.944 . . . . 1.29 110.407 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.45 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.965 -1.084 . . . . 0.40000000000000002 109.422 -179.718 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -51.23 -42.84 61.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.031 -1.043 . . . . 3.8500000000000001 109.091 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.27 -45.23 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.78 109.923 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.16 -43.47 98.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 1.1699999999999999 109.302 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.38 70.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.2 109.326 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.34 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.561 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.92 -53.45 58.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 1.0700000000000001 109.854 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.1 -43.77 98.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.096 -1.003 . . . . 1.1399999999999999 109.255 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.37 -39.89 80.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 2.0899999999999999 109.108 179.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -37.77 88.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 1.3799999999999999 108.98 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.92 -43.78 98.13 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.605 -0.887 . . . . 2.6800000000000002 108.605 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -56.16 -36.22 68.07 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.296 -0.631 . . . . 1.3400000000000001 109.296 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.85 66.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.317 -0.864 . . . . 1.3 109.053 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.44 -11.58 58.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 1.8 109.303 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 -83.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.204 -0.935 . . . . 1.47 109.489 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.07 73.92 0.52 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.531 -1.427 . . . . 1.6599999999999999 109.531 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.19 133.12 33.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.237 -1.154 . . . . 4.7800000000000002 109.461 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -51.09 152.7 3.7 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.914 . . . . 6.1900000000000004 108.888 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.83 142.35 83.93 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.028 1.152 . . . . 6.1799999999999997 109.856 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.999 -1.445 . . . . 6.9000000000000004 109.523 -179.976 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.507 -0.553 . . . . 7.6900000000000004 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.27 62.72 2.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 7.4500000000000002 109.19 -179.74 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.454 ' HZ3' ' CB ' ' D' ' 321' ' ' LYS . 2.2 ttmp? 54.8 62.81 7.68 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 6.8399999999999999 109.881 -179.612 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -65.93 130.97 25.82 Favored 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.449 1.433 . . . . 5.1200000000000001 109.671 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.47 90.39 5.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.072 -1.018 . . . . 4.6600000000000001 109.0 179.529 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.36 -158.15 0.36 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 2.46 109.837 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 170.4 42.87 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.694 -1.363 . . . . 1.0800000000000001 109.694 179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.72 139.86 57.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -1.141 . . . . 1.6699999999999999 109.679 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.68 156.78 16.51 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.203 -0.936 . . . . 1.01 109.306 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.25 -174.26 3.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.262 -0.899 . . . . 0.63 109.266 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.8 p -150.34 151.03 32.25 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.627 -0.879 . . . . 1.1299999999999999 108.627 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.1 tp -143.32 132.88 23.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 1.1000000000000001 109.548 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.7 127.62 34.19 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.249 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.4 116.32 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.444 -0.785 . . . . 1.1499999999999999 109.145 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -75.68 154.67 36.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.482 -0.762 . . . . 2.77 110.093 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.26 136.63 2.41 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.623 -0.991 . . . . 0.42999999999999999 110.623 179.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -81.67 -45.67 15.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -1.062 . . . . 3.1200000000000001 109.067 179.445 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -57.67 -47.67 81.67 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.34 -0.85 . . . . 2.2200000000000002 109.13 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.391 -0.818 . . . . 3.5 109.04 179.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.33 -58.42 7.8 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.58 -0.7 . . . . 0.5 109.773 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.41 -37.17 47.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 110.014 -179.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.74 -50.63 68.35 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.25 -0.906 . . . . 1.1399999999999999 110.455 -179.326 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.027 -1.046 . . . . 0.32000000000000001 109.393 -179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -51.31 -42.75 61.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 2.96 109.089 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.34 -45.14 95.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 1.75 109.953 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.22 -43.47 98.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 1.0800000000000001 109.274 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.26 70.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.935 . . . . 1.22 109.421 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.49 77.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 1.73 109.556 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.46 58.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 109.827 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.16 -43.78 98.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 1.1100000000000001 109.201 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.32 -39.83 80.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 1.9099999999999999 109.203 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.39 -37.78 88.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.1699999999999999 108.977 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.93 -43.76 98.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.241 -0.912 . . . . 2.1499999999999999 108.609 179.276 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.3 -36.11 68.29 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.247 -0.649 . . . . 1.4399999999999999 109.247 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -25.71 66.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 1.3 109.172 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.55 -11.56 58.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.814 . . . . 1.3999999999999999 109.198 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.03 -83.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.241 -0.912 . . . . 1.6000000000000001 109.447 179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 73.9 0.52 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.56 -1.416 . . . . 1.5 109.56 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.13 133.01 33.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.242 -1.152 . . . . 4.5499999999999998 109.514 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -50.99 152.65 3.58 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 5.6699999999999999 108.98 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.75 142.38 83.21 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 120.979 1.12 . . . . 6.1200000000000001 109.836 179.44 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.011 -1.438 . . . . 7.2699999999999996 109.559 179.897 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.198 -0.667 . . . . 7.6600000000000001 109.198 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 321' ' ' LYS . 55.6 mttp 52.24 92.31 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 7.5099999999999998 110.084 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 320' ' ' LYS . 34.8 mtpt 59.93 137.42 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.719 -0.613 . . . . 6.8099999999999996 110.25 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.43 -153.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 120.877 1.051 . . . . 5.1500000000000004 109.533 179.065 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.98 131.81 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.175 -0.953 . . . . 4.7000000000000002 109.209 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.04 -141.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 2.48 109.869 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.54 173.7 33.02 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.979 -1.248 . . . . 1.0800000000000001 109.979 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.96 135.28 57.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.399 -1.059 . . . . 1.7 109.679 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.8 155.23 16.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.3 -0.875 . . . . 1.04 109.733 179.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.83 139.79 34.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.327 -0.858 . . . . 0.65000000000000002 109.068 179.397 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.9 p -96.4 163.89 12.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 1.1399999999999999 108.894 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.7 134.87 18.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 1.0900000000000001 110.045 -179.273 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.04 127.58 34.27 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.79 -0.819 . . . . 1.3700000000000001 108.79 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.3 mt -123.42 111.17 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.524 -0.735 . . . . 1.1499999999999999 109.198 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.54 40.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 2.79 110.027 -179.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.19 135.98 4.13 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.468 -1.053 . . . . 0.45000000000000001 110.468 179.098 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -38.4 31.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -1.037 . . . . 3.1600000000000001 108.902 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 9.9 mp0 -59.28 -46.88 87.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 2.2200000000000002 109.183 179.706 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.95 -39.86 93.55 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.529 -0.732 . . . . 3.54 109.506 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.04 -53.38 56.58 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.431 -0.793 . . . . 0.5 109.598 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.13 -42.74 66.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.798 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.9 -50.47 70.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.313 -0.867 . . . . 1.1499999999999999 110.23 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.26 -45.93 92.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 0.34000000000000002 108.986 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.83 -42.83 62.85 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.217 -0.927 . . . . 2.9399999999999999 109.38 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.97 -45.32 95.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 1.74 109.985 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 109.252 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.34 -50.98 71.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 1.22 109.485 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.63 99.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 1.72 109.823 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.48 69.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0700000000000001 109.757 -179.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.26 -45.46 93.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 109.392 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.79 -34.46 73.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.226 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.86 -48.73 75.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.433 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.65 -43.67 98.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.4 -0.812 . . . . 2.1400000000000001 109.017 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -32.49 64.26 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.696 -0.627 . . . . 1.4299999999999999 109.404 179.741 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.19 78.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.3 109.672 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.519 ' C ' ' H ' ' A' ' 356' ' ' GLY . 56.9 mt-30 -80.93 -1.37 43.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 1.4199999999999999 109.565 -179.775 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.1 8.64 0.52 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.272 -0.892 . . . . 1.5800000000000001 109.185 179.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 354' ' ' GLN . . . -85.16 -70.19 1.34 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.492 -1.443 . . . . 1.54 109.492 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.78 133.58 35.35 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.307 -1.114 . . . . 4.5499999999999998 109.658 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.88 153.91 2.04 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.342 -0.849 . . . . 5.71 109.222 -179.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.25 -175.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 121.213 1.275 . . . . 6.0899999999999999 109.919 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.942 -1.477 . . . . 7.2400000000000002 109.525 179.954 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.178 -0.675 . . . . 7.6699999999999999 109.178 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 321' ' ' LYS . 55.6 mttp 52.14 92.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 7.46 110.176 179.598 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 320' ' ' LYS . 34.8 mtpt 60.08 137.39 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.765 -0.584 . . . . 6.79 110.226 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.42 -153.77 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 120.974 1.116 . . . . 5.1500000000000004 109.536 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.98 131.79 36.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 4.6600000000000001 109.204 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.08 -141.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -0.886 . . . . 2.4700000000000002 109.865 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 173.62 32.04 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.957 -1.257 . . . . 1.0600000000000001 109.957 -179.649 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.93 135.25 57.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.356 -1.084 . . . . 1.6100000000000001 109.685 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.76 155.31 16.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.26 -0.9 . . . . 0.96999999999999997 109.744 179.789 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -140.89 139.78 34.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.319 -0.863 . . . . 0.59999999999999998 109.029 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.37 163.93 12.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 1.1000000000000001 108.86 179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.72 134.98 18.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 1.1000000000000001 110.047 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -85.09 127.63 34.31 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.839 -0.8 . . . . 1.3600000000000001 108.839 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.44 111.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.584 0.707 . . . . 1.1699999999999999 109.215 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.58 40.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 2.79 110.05 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.08 136.02 4.08 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.462 -1.055 . . . . 0.47999999999999998 110.462 179.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.26 -38.4 31.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -1.084 . . . . 3.2200000000000002 108.863 179.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 9.9 mp0 -59.32 -46.84 87.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 2.21 109.155 179.736 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.87 -39.98 93.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.485 -0.759 . . . . 3.5499999999999998 109.501 179.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.97 -53.36 56.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.52000000000000002 109.675 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.57 66.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.887 . . . . 1.6799999999999999 109.757 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.89 -50.56 70.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 110.279 -179.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -45.98 92.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.33000000000000002 109.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.77 -42.8 62.67 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 3.02 109.486 179.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.03 -45.32 95.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.31 -0.869 . . . . 1.75 109.925 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.48 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.26 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.29 -50.99 71.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 1.21 109.509 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.0 -42.6 99.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.908 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.42 69.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.258 -0.901 . . . . 1.0600000000000001 109.834 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.32 -45.55 92.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 109.381 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.67 -34.34 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.238 -0.914 . . . . 1.9299999999999999 109.282 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.99 -48.7 75.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.472 -0.767 . . . . 1.1399999999999999 109.437 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.6 -43.62 98.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.846 . . . . 2.1899999999999999 109.008 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.677 -0.64 . . . . 1.4299999999999999 109.413 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.08 78.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 1.3100000000000001 109.706 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.526 ' C ' ' H ' ' B' ' 356' ' ' GLY . 56.9 mt-30 -81.03 -1.31 43.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 1.3999999999999999 109.54 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.04 8.61 0.52 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 1.5700000000000001 109.169 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' B' ' 354' ' ' GLN . . . -85.17 -70.17 1.34 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.502 -1.439 . . . . 1.53 109.502 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -81.79 133.55 35.35 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.265 -1.138 . . . . 4.5800000000000001 109.652 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.72 153.87 1.94 Allowed Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 5.6799999999999997 109.166 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -54.29 -175.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.324 -0.74 0 C-N-CA 121.169 1.246 . . . . 6.0499999999999998 109.916 179.328 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 117.979 -1.456 . . . . 7.2000000000000002 109.515 179.979 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.206 -0.665 . . . . 9.2200000000000006 109.206 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' C' ' 321' ' ' LYS . 55.6 mttp 52.19 92.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.347 -0.846 . . . . 8.5099999999999998 110.117 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' C' ' 320' ' ' LYS . 34.8 mtpt 59.97 137.37 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.84 -0.538 . . . . 7.4199999999999999 110.204 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.34 -153.8 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 120.965 1.11 . . . . 5.0499999999999998 109.542 179.039 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.96 131.82 36.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 5.1399999999999997 109.17 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -80.06 -141.13 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.273 -0.892 . . . . 2.8500000000000001 109.826 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 173.65 32.61 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.913 -1.275 . . . . 1.27 109.913 -179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.01 135.34 57.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.418 -1.048 . . . . 2.1099999999999999 109.699 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -95.87 155.3 16.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.239 -0.913 . . . . 1.01 109.679 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.88 139.8 34.46 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.424 -0.798 . . . . 0.57999999999999996 109.027 179.403 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.35 163.8 12.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 1.1599999999999999 108.861 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.67 134.92 18.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.019 -1.051 . . . . 1.1699999999999999 110.039 -179.355 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.03 127.65 34.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.815 -0.809 . . . . 1.8100000000000001 108.815 179.303 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.2 mt -123.42 111.11 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 109.206 -0.665 . . . . 1.1299999999999999 109.206 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.94 147.58 40.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -0.804 . . . . 2.8199999999999998 110.059 -179.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.14 135.96 4.1 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.518 -1.033 . . . . 0.45000000000000001 110.518 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -80.22 -38.36 31.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.405 -1.056 . . . . 3.0800000000000001 108.888 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 mp0 -59.29 -46.88 87.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 2.54 109.105 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -61.96 -39.84 93.52 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.427 -0.796 . . . . 4.1100000000000003 109.502 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -55.11 -53.33 57.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.487 -0.758 . . . . 0.56999999999999995 109.578 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.6 66.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.342 -0.849 . . . . 1.6599999999999999 109.754 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.95 -50.51 70.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.267 -0.896 . . . . 1.29 110.25 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.27 -45.94 92.42 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 108.95 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.8 -42.86 62.8 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.283 -0.885 . . . . 3.8500000000000001 109.484 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -60.95 -45.34 95.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.352 -0.842 . . . . 1.78 109.919 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 109.262 -179.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.21 -51.07 71.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.243 -0.911 . . . . 1.2 109.525 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.97 -42.57 99.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 2.1200000000000001 109.884 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.4 69.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.752 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.28 -45.65 92.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.147 -0.97 . . . . 1.1399999999999999 109.326 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.62 -34.39 72.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -0.893 . . . . 2.0899999999999999 109.281 179.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.92 -48.73 75.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 1.3799999999999999 109.456 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.56 -43.72 98.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 2.6800000000000002 108.95 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.07 -32.51 64.19 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.389 179.772 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -44.0 78.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 1.3 109.702 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.514 ' C ' ' H ' ' C' ' 356' ' ' GLY . 56.9 mt-30 -81.04 -1.34 43.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.82 . . . . 1.8 109.55 -179.816 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.07 8.66 0.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.925 . . . . 1.47 109.218 179.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 354' ' ' GLN . . . -85.22 -70.21 1.34 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.459 -1.456 . . . . 1.6599999999999999 109.459 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -81.81 133.54 35.34 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.21 -1.171 . . . . 4.7800000000000002 109.616 -179.621 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.74 153.83 1.97 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 6.1900000000000004 109.207 -179.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.23 -175.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 121.175 1.25 . . . . 6.1799999999999997 109.918 179.334 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 CA-C-O 117.963 -1.465 . . . . 6.9000000000000004 109.541 -179.965 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.143 -0.688 . . . . 7.6900000000000004 109.143 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' D' ' 321' ' ' LYS . 55.6 mttp 52.12 92.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.44 -0.787 . . . . 7.4500000000000002 110.202 179.556 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' D' ' 320' ' ' LYS . 34.8 mtpt 59.98 137.38 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.742 -0.599 . . . . 6.8399999999999999 110.225 179.418 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.36 -153.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 120.976 1.117 . . . . 5.1200000000000001 109.538 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.9 131.86 36.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.101 -0.999 . . . . 4.6600000000000001 109.184 179.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.16 -141.16 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 2.46 109.828 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 173.59 32.67 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.945 -1.262 . . . . 1.0800000000000001 109.945 -179.624 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.95 135.28 57.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.42 -1.047 . . . . 1.6699999999999999 109.687 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.81 155.26 16.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.267 -0.895 . . . . 1.01 109.676 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.89 139.86 34.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.276 -0.89 . . . . 0.63 109.045 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 163.83 12.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.321 -0.862 . . . . 1.1299999999999999 108.856 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.65 134.97 18.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 1.1000000000000001 110.023 -179.389 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.06 127.61 34.29 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.851 -0.796 . . . . 1.3700000000000001 108.851 179.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.0 mt -123.4 111.14 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.554 -0.716 . . . . 1.1499999999999999 109.219 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.53 40.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.512 -0.743 . . . . 2.77 110.192 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.21 135.96 4.14 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.505 -1.038 . . . . 0.42999999999999999 110.505 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.19 -38.44 31.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 3.1200000000000001 108.885 179.331 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 9.9 mp0 -59.27 -46.84 87.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 2.2200000000000002 109.186 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.89 -39.93 93.66 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.475 -0.766 . . . . 3.5 109.579 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.0 -53.42 55.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.433 -0.792 . . . . 0.5 109.643 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.21 -42.6 66.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.427 -0.795 . . . . 1.6899999999999999 109.75 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.98 -50.5 70.53 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 1.1399999999999999 110.236 -179.245 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -46.0 92.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.069 -1.019 . . . . 0.32000000000000001 108.967 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.87 -42.77 62.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.286 -0.884 . . . . 2.96 109.406 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -61.03 -45.24 95.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 1.75 109.935 -179.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.5 -43.42 98.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.0800000000000001 109.258 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.26 -51.01 71.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.22 109.533 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.53 99.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 1.73 109.908 -179.701 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.807 -179.646 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.28 -45.6 92.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 1.1100000000000001 109.35 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.65 -34.43 72.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.266 179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.91 -48.72 75.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.832 . . . . 1.1699999999999999 109.374 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -62.57 -43.68 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 2.1499999999999999 109.131 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.15 -32.44 64.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.652 -0.655 . . . . 1.4399999999999999 109.442 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -44.06 78.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 1.3 109.756 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' D' ' 356' ' ' GLY . 57.1 mt-30 -80.99 -1.28 43.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.886 . . . . 1.3999999999999999 109.604 -179.848 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.11 8.66 0.52 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.211 -0.93 . . . . 1.6000000000000001 109.136 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' D' ' 354' ' ' GLN . . . -85.14 -70.18 1.34 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.547 -1.421 . . . . 1.5 109.547 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.83 133.49 35.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.189 -1.183 . . . . 4.5499999999999998 109.658 -179.69 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.81 153.86 2.0 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 5.6699999999999999 109.259 -179.624 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.34 -175.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 121.2 1.267 . . . . 6.1200000000000001 109.868 179.491 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.943 -1.476 . . . . 7.2699999999999996 109.57 -179.921 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.6600000000000001 109.434 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.01 -121.7 1.92 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.249 -0.907 . . . . 7.5099999999999998 109.26 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.541 ' C ' ' H ' ' A' ' 323' ' ' LEU . 33.5 ttpt 52.57 72.09 1.27 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 6.8099999999999996 109.329 179.825 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -62.86 5.7 0.26 Allowed 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.519 1.479 . . . . 5.1500000000000004 110.167 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.8 mt -81.4 41.43 0.62 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.223 -0.923 . . . . 4.7000000000000002 109.218 179.704 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.41 -129.79 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.73 -0.606 . . . . 2.48 109.983 -179.415 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.11 156.9 52.77 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.037 -1.225 . . . . 1.0800000000000001 110.037 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.08 136.33 57.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -1.044 . . . . 1.7 109.573 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -94.44 153.14 18.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 1.04 109.602 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -135.91 -169.52 2.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.362 -0.836 . . . . 0.65000000000000002 109.397 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.21 146.88 25.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 1.1399999999999999 108.73 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -141.18 135.29 30.64 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 1.0900000000000001 109.69 -178.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.68 130.31 34.6 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.839 -0.801 . . . . 1.3700000000000001 108.839 179.214 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.54 118.8 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.555 -0.716 . . . . 1.1499999999999999 109.465 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.17 152.84 36.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 2.79 110.076 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.09 136.29 1.2 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.476 -1.05 . . . . 0.45000000000000001 110.476 179.028 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.83 -41.5 20.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -1.042 . . . . 3.1600000000000001 108.937 179.245 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.56 -45.7 88.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.304 -0.872 . . . . 2.2200000000000002 108.658 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -62.67 -41.09 98.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.506 -0.746 . . . . 3.54 109.12 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.68 -56.37 21.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.535 -0.728 . . . . 0.5 109.545 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.97 -36.9 51.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.464 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.97 -53.58 51.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.402 -0.811 . . . . 1.1499999999999999 109.883 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.72 -44.42 96.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.135 -0.978 . . . . 0.34000000000000002 108.901 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.69 -43.73 62.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.318 -0.864 . . . . 2.9399999999999999 109.225 179.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.19 -52.03 67.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.74 109.664 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.25 -36.28 77.41 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 108.665 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.23 -56.83 17.18 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.22 109.298 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.428 ' CB ' ' HZ3' ' B' ' 351' ' ' LYS . 90.6 mt-10 -63.58 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.366 -0.834 . . . . 1.72 109.492 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.66 -54.06 51.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.82 . . . . 1.0700000000000001 109.909 -179.628 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.53 -46.56 89.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.166 -0.959 . . . . 1.0800000000000001 109.225 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.82 -35.2 72.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.367 -0.833 . . . . 1.9099999999999999 109.197 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.19 -46.93 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 109.317 179.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.36 -39.78 94.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.393 -0.817 . . . . 2.1400000000000001 108.975 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.27 -33.98 65.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.45 179.763 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.57 35.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 1.3 109.745 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.02 1.73 26.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 1.4199999999999999 109.608 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -82.39 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 1.5800000000000001 109.349 179.917 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.5 77.5 0.9 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.563 -1.415 . . . . 1.54 109.563 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.34 141.71 29.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.25 -1.147 . . . . 4.5499999999999998 109.504 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.12 148.72 7.65 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 5.71 108.953 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.9 150.48 46.04 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.965 1.11 . . . . 6.0899999999999999 109.846 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 118.025 -1.431 . . . . 7.2400000000000002 109.59 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.468 -0.567 . . . . 7.6699999999999999 109.468 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.06 -121.76 1.93 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.887 . . . . 7.46 109.291 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' B' ' 323' ' ' LEU . 33.5 ttpt 52.6 72.06 1.28 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 6.79 109.297 179.773 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' B' ' 324' ' ' ASP . 3.8 Cg_exo -62.84 5.67 0.26 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.568 1.512 . . . . 5.1500000000000004 110.139 -179.542 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.7 mt -81.39 41.38 0.61 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.912 . . . . 4.6600000000000001 109.199 179.728 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' B' ' 322' ' ' PRO . 40.8 m-20 -78.39 -130.05 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.58 -0.7 . . . . 2.4700000000000002 109.914 -179.462 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.74 156.73 52.48 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.019 -1.233 . . . . 1.0600000000000001 110.019 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -59.99 136.4 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -1.024 . . . . 1.6100000000000001 109.524 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -94.52 153.04 18.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.295 -0.878 . . . . 0.96999999999999997 109.598 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -135.76 -169.42 2.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.351 -0.843 . . . . 0.59999999999999998 109.314 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -152.31 146.83 25.69 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.32 -0.863 . . . . 1.1000000000000001 108.723 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.1 135.23 30.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.372 -0.83 . . . . 1.1000000000000001 109.716 -178.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.67 130.37 34.58 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.766 -0.827 . . . . 1.3600000000000001 108.766 179.23 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.61 118.77 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.508 -0.745 . . . . 1.1699999999999999 109.352 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.19 152.79 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 2.79 109.985 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.1 136.34 1.22 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.473 -1.051 . . . . 0.47999999999999998 110.473 179.056 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.93 -41.4 20.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.437 -1.037 . . . . 3.2200000000000002 108.934 179.274 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.63 -45.66 88.76 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.642 -0.873 . . . . 2.21 108.642 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -62.81 -40.94 98.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.427 -0.796 . . . . 3.5499999999999998 109.122 179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -55.67 -56.42 20.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.52000000000000002 109.534 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.89 -36.98 50.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 1.6799999999999999 109.509 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.93 -53.58 51.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.3 -0.875 . . . . 1.1499999999999999 109.929 -179.57 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.69 -44.53 96.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.33000000000000002 108.925 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.59 -43.72 62.58 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.253 -0.904 . . . . 3.02 109.277 179.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.12 -52.12 66.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.84 . . . . 1.75 109.657 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.15 -36.35 77.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 108.719 179.749 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.94 15.72 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.423 -0.798 . . . . 1.21 109.248 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.51 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.486 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.61 -54.08 51.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -0.84 . . . . 1.0600000000000001 109.951 -179.618 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.4 -46.6 89.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.173 -0.954 . . . . 1.0800000000000001 109.294 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.76 -35.24 72.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 1.9299999999999999 109.273 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.94 81.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.341 -0.849 . . . . 1.1399999999999999 109.3 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HZ3' ' CB ' ' A' ' 346' ' ' GLU . 13.2 ttmm -62.36 -39.78 94.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 2.1899999999999999 109.018 179.831 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.33 -33.83 66.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.651 -0.655 . . . . 1.4299999999999999 109.447 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.83 -52.57 35.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 1.3100000000000001 109.769 -179.799 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.06 1.71 26.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 1.3999999999999999 109.574 -179.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -82.31 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.915 . . . . 1.5700000000000001 109.427 179.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.57 77.58 0.91 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.42 -1.472 . . . . 1.53 109.42 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.48 141.7 28.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -1.124 . . . . 4.5800000000000001 109.461 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.05 148.74 7.42 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 5.6799999999999997 108.995 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.92 150.51 46.01 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 120.973 1.115 . . . . 6.0499999999999998 109.87 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.986 -1.452 . . . . 7.2000000000000002 109.602 179.935 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.454 -0.573 . . . . 9.2200000000000006 109.454 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 52.91 -121.71 1.92 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 8.5099999999999998 109.267 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' C' ' 323' ' ' LEU . 33.5 ttpt 52.58 72.08 1.28 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.115 -0.99 . . . . 7.4199999999999999 109.383 179.865 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' C' ' 324' ' ' ASP . 3.9 Cg_exo -62.89 5.62 0.27 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.497 1.465 . . . . 5.0499999999999998 110.198 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.8 mt -81.36 41.54 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 5.1399999999999997 109.222 179.716 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' C' ' 322' ' ' PRO . 40.9 m-20 -78.5 -129.87 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.704 -0.622 . . . . 2.8500000000000001 109.961 -179.441 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 156.73 52.65 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.031 -1.228 . . . . 1.27 110.031 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.98 136.4 58.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -1.044 . . . . 2.1099999999999999 109.63 179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.39 153.03 18.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.262 -0.898 . . . . 1.01 109.633 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -135.87 -169.43 2.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.344 -0.848 . . . . 0.57999999999999996 109.341 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -152.24 146.87 25.76 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.68 -0.859 . . . . 1.1599999999999999 108.68 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.6 tp -141.13 135.2 30.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.283 -0.886 . . . . 1.1699999999999999 109.721 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.64 130.31 34.6 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.793 -0.818 . . . . 1.8100000000000001 108.793 179.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.58 118.82 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.526 -0.734 . . . . 1.1299999999999999 109.418 -179.711 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -76.11 152.82 36.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.585 -0.697 . . . . 2.8199999999999998 110.078 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.0 136.37 1.18 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.468 -1.053 . . . . 0.45000000000000001 110.468 179.061 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.89 -41.47 20.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -1.045 . . . . 3.0800000000000001 108.89 179.322 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.67 -45.56 89.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 2.54 108.641 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -62.83 -41.02 99.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.4 -0.813 . . . . 4.1100000000000003 109.124 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.76 -56.29 22.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.481 -0.762 . . . . 0.56999999999999995 109.513 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.94 -36.97 51.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.481 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.89 -53.63 51.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.299 -0.876 . . . . 1.29 109.876 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -44.41 96.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.40000000000000002 108.921 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.7 -43.67 62.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 3.8500000000000001 109.233 179.629 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.07 66.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 1.78 109.66 -179.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.26 -36.31 77.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 108.644 179.768 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.17 -56.91 16.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.408 -0.808 . . . . 1.2 109.232 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.57 -31.08 72.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.1200000000000001 109.446 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -54.12 50.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.0700000000000001 109.918 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.44 -46.56 89.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 1.1399999999999999 109.24 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.86 -35.18 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 2.0899999999999999 109.262 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.92 81.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.3799999999999999 109.297 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.433 ' HZ3' ' CB ' ' D' ' 346' ' ' GLU . 13.3 ttmm -62.48 -39.68 94.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.377 -0.827 . . . . 2.6800000000000002 108.969 179.893 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.37 -33.83 66.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.559 -0.713 . . . . 1.3400000000000001 109.453 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.54 35.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 1.3 109.787 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.09 1.74 26.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 1.8 109.61 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -82.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.257 -0.902 . . . . 1.47 109.435 179.862 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.41 77.49 0.89 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.507 -1.437 . . . . 1.6599999999999999 109.507 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.41 141.72 28.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.258 -1.142 . . . . 4.7800000000000002 109.511 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.14 148.66 7.8 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 6.1900000000000004 108.985 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.79 150.42 45.37 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 120.967 1.111 . . . . 6.1799999999999997 109.914 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.973 -1.459 . . . . 6.9000000000000004 109.557 179.906 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.501 -0.555 . . . . 7.6900000000000004 109.501 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.08 -121.84 1.94 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.929 . . . . 7.4500000000000002 109.204 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' D' ' 323' ' ' LEU . 33.6 ttpt 52.71 71.99 1.3 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.156 -0.965 . . . . 6.8399999999999999 109.366 179.857 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' D' ' 324' ' ' ASP . 3.7 Cg_exo -62.86 5.68 0.26 Allowed 'Trans proline' 0 C--N 1.316 -1.136 0 C-N-CA 121.516 1.477 . . . . 5.1200000000000001 110.194 -179.51 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.8 mt -81.37 41.49 0.62 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 4.6600000000000001 109.225 179.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' D' ' 322' ' ' PRO . 40.2 m-20 -78.43 -129.9 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.632 -0.668 . . . . 2.46 109.961 -179.471 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.93 156.96 52.58 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.973 -1.251 . . . . 1.0800000000000001 109.973 -179.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.06 136.33 57.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -1.065 . . . . 1.6699999999999999 109.561 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.47 153.1 18.09 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.286 -0.884 . . . . 1.01 109.557 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.91 -169.48 2.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.63 109.385 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -152.22 146.89 25.79 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.263 -0.898 . . . . 1.1299999999999999 108.671 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.18 135.24 30.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.73 -178.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.57 130.36 34.59 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.797 -0.816 . . . . 1.3700000000000001 108.797 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -123.61 118.85 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.449 -0.782 . . . . 1.1499999999999999 109.407 -179.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.25 152.8 36.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.553 -0.717 . . . . 2.77 110.034 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.08 136.37 1.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.498 -1.041 . . . . 0.42999999999999999 110.498 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -81.86 -41.49 20.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.398 -1.06 . . . . 3.1200000000000001 108.886 179.344 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.62 -45.57 88.92 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 108.71 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.85 -40.97 99.09 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.456 -0.778 . . . . 3.5 109.078 179.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.71 -56.41 20.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.488 -0.757 . . . . 0.5 109.471 179.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.87 -36.99 50.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.236 -0.915 . . . . 1.6899999999999999 109.517 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.9 -53.54 52.49 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.275 -0.891 . . . . 1.1399999999999999 109.936 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.78 -44.45 96.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.32000000000000001 108.854 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.61 -43.76 62.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.26 -0.9 . . . . 2.96 109.235 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.09 66.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 1.75 109.665 -179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.17 -36.37 77.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.91 . . . . 1.0800000000000001 108.671 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.18 -56.81 17.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.445 -0.784 . . . . 1.22 109.323 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.433 ' CB ' ' HZ3' ' C' ' 351' ' ' LYS . 90.6 mt-10 -63.66 -31.02 72.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.365 -0.834 . . . . 1.73 109.499 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.15 50.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 1.0700000000000001 109.95 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.5 -46.57 89.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.143 -0.973 . . . . 1.1100000000000001 109.258 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.74 -35.24 72.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 1.9099999999999999 109.257 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.14 -46.97 81.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 1.1699999999999999 109.339 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.39 -39.7 94.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 2.1499999999999999 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.39 -33.89 66.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.572 -0.705 . . . . 1.4399999999999999 109.367 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -52.6 35.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 1.3 109.722 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.03 1.64 26.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -0.823 . . . . 1.3999999999999999 109.565 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.43 -82.44 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.271 -0.893 . . . . 1.6000000000000001 109.415 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.49 77.6 0.89 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.484 -1.447 . . . . 1.5 109.484 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -86.44 141.65 28.97 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.176 -1.191 . . . . 4.5499999999999998 109.48 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.01 148.63 7.45 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.947 . . . . 5.6699999999999999 109.041 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.78 150.46 45.06 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.949 1.099 . . . . 6.1200000000000001 109.899 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.412 0 CA-C-O 118.025 -1.43 . . . . 7.2699999999999996 109.607 179.923 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 41.0 mttm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.25 -0.648 . . . . 7.6600000000000001 109.25 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 321' ' ' LYS . 6.7 tptm 62.01 140.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 7.5099999999999998 109.657 179.723 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 320' ' ' LYS . 45.8 pttt 35.41 62.6 2.39 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 122.029 -0.419 . . . . 6.8099999999999996 111.033 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.86 105.9 1.03 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.446 1.431 . . . . 5.1500000000000004 109.72 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.6 101.48 10.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.939 . . . . 4.7000000000000002 109.605 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.69 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 4.2 m-20 -81.14 -164.83 0.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 2.48 109.423 179.658 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.53 -174.35 11.8 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.888 -1.285 . . . . 1.0800000000000001 109.888 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.72 135.66 57.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.34 -1.094 . . . . 1.7 109.644 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.69 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 60.4 m-85 -94.78 159.57 14.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.23 -0.919 . . . . 1.04 109.568 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -139.56 -171.62 3.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.415 -0.803 . . . . 0.65000000000000002 109.309 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.6 p -150.64 148.78 29.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 1.1399999999999999 108.58 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.08 135.6 29.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 1.0900000000000001 109.803 -178.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.63 130.82 34.67 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.547 -0.909 . . . . 1.3700000000000001 108.547 178.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -123.39 111.86 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.503 -0.748 . . . . 1.1499999999999999 109.072 -179.516 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.87 146.47 44.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 2.79 110.068 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 135.64 5.87 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.792 -1.323 . . . . 0.45000000000000001 109.792 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.07 -49.05 10.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.254 -1.145 . . . . 3.1600000000000001 109.642 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.29 -40.56 78.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.131 -0.981 . . . . 2.2200000000000002 109.154 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.16 -41.65 97.06 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.2 -0.938 . . . . 3.54 109.306 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -55.05 -56.34 20.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.5 109.943 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.49 -37.02 46.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -0.904 . . . . 1.6599999999999999 109.849 -179.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.23 -52.04 63.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.232 -0.917 . . . . 1.1499999999999999 110.207 -179.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.34 -44.06 97.82 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.128 -0.983 . . . . 0.34000000000000002 109.044 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.39 -43.78 62.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.308 -0.87 . . . . 2.9399999999999999 109.205 179.52 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.56 -46.55 89.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 1.74 109.77 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.11 -42.6 98.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 1.0700000000000001 109.131 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.23 -52.58 64.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.27 -0.893 . . . . 1.22 109.389 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.71 -35.94 79.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 1.72 109.693 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.57 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.243 -0.911 . . . . 1.0700000000000001 109.629 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.53 -46.35 90.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 1.0800000000000001 109.344 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.27 -35.5 73.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.408 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.33 -52.18 59.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.316 -0.865 . . . . 1.1499999999999999 109.469 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -63.28 -46.73 85.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.412 -0.805 . . . . 2.1400000000000001 109.102 179.787 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.546 -0.721 . . . . 1.4299999999999999 109.786 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 1.3 109.743 -179.702 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.21 -2.92 53.91 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 1.4199999999999999 109.771 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.1 62.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.138 -0.976 . . . . 1.5800000000000001 109.523 -179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 45.83 3.58 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.338 -1.505 . . . . 1.54 109.338 179.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.26 64.78 8.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -1.159 . . . . 4.5499999999999998 109.536 -179.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -51.32 153.5 3.54 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.345 -0.847 . . . . 5.71 108.88 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.7 144.3 93.34 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 120.974 1.116 . . . . 6.0899999999999999 109.902 179.59 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 117.958 -1.468 . . . . 7.2400000000000002 109.606 179.893 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' B' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.288 -0.634 . . . . 7.6699999999999999 109.288 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' B' ' 321' ' ' LYS . 6.8 tptm 61.96 140.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 7.46 109.689 179.72 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 320' ' ' LYS . 45.8 pttt 35.43 62.67 2.39 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 122.084 -0.385 . . . . 6.79 111.021 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.97 105.88 1.05 Allowed 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.438 1.425 . . . . 5.1500000000000004 109.703 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.53 101.4 9.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 4.6600000000000001 109.682 179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.689 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 4.2 m-20 -81.04 -164.43 0.74 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.362 -0.836 . . . . 2.4700000000000002 109.433 179.711 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.06 -174.04 13.25 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.885 -1.286 . . . . 1.0600000000000001 109.885 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -60.87 135.62 57.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.336 -1.096 . . . . 1.6100000000000001 109.613 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.689 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 60.4 m-85 -94.81 159.35 15.09 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.908 . . . . 0.96999999999999997 109.57 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -139.37 -171.57 3.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.59999999999999998 109.246 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -150.53 148.87 29.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.588 -0.894 . . . . 1.1000000000000001 108.588 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.9 tp -142.2 135.58 29.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.773 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.61 130.8 34.68 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.537 -0.912 . . . . 1.3600000000000001 108.537 178.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -123.42 111.87 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.535 -0.728 . . . . 1.1699999999999999 109.132 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.91 146.56 43.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.603 -0.686 . . . . 2.79 110.019 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 135.59 5.81 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.748 -1.341 . . . . 0.47999999999999998 109.748 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.04 -49.03 10.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -1.098 . . . . 3.2200000000000002 109.71 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.25 -40.57 77.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 2.21 109.19 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.2 -41.59 97.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.266 -0.896 . . . . 3.5499999999999998 109.351 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.06 -56.35 20.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.52000000000000002 109.944 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -37.04 46.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.6799999999999999 109.911 -179.704 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.97 63.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.217 -0.927 . . . . 1.1499999999999999 110.193 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.43 -43.94 97.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.187 -0.945 . . . . 0.33000000000000002 109.055 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.48 -43.75 62.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.867 . . . . 3.02 109.196 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.55 -46.59 89.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 1.75 109.708 -179.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.19 -42.5 98.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.15 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.25 -52.58 64.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.248 -0.908 . . . . 1.21 109.361 179.602 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.77 -35.87 79.4 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 1.6899999999999999 109.692 -179.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.47 69.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 1.0600000000000001 109.651 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.61 -46.0 91.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.328 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -35.45 74.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.288 -0.883 . . . . 1.9299999999999999 109.425 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.27 -52.09 60.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.355 -0.841 . . . . 1.1399999999999999 109.399 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -63.45 -46.81 84.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.386 -0.822 . . . . 2.1899999999999999 109.169 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.94 -36.53 74.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.547 -0.72 . . . . 1.4299999999999999 109.806 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.29 78.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.155 -0.965 . . . . 1.3100000000000001 109.743 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.12 -3.08 54.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 1.3999999999999999 109.793 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -24.13 62.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.96 . . . . 1.5700000000000001 109.582 -179.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.02 45.93 3.6 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.363 -1.495 . . . . 1.53 109.363 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.28 64.68 8.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -1.162 . . . . 4.5800000000000001 109.536 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -51.2 153.46 3.37 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.373 -0.829 . . . . 5.6799999999999997 108.868 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.6 144.29 92.91 Favored 'Trans proline' 0 C--N 1.323 -0.806 0 C-N-CA 121.023 1.149 . . . . 6.0499999999999998 109.906 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 118.019 -1.434 . . . . 7.2000000000000002 109.577 179.832 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.27 -0.641 . . . . 9.2200000000000006 109.27 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' C' ' 321' ' ' LYS . 6.7 tptm 61.96 140.15 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.409 -0.807 . . . . 8.5099999999999998 109.701 179.665 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' C' ' 320' ' ' LYS . 45.7 pttt 35.39 62.68 2.37 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 122.119 -0.363 . . . . 7.4199999999999999 111.036 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.91 105.81 1.03 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.436 1.424 . . . . 5.0499999999999998 109.768 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.51 101.4 9.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 5.1399999999999997 109.645 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.674 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 4.2 m-20 -81.04 -164.65 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 2.8500000000000001 109.384 179.69 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.74 -174.23 12.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.894 -1.283 . . . . 1.27 109.894 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 135.65 57.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -1.103 . . . . 2.1099999999999999 109.662 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.674 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 59.6 m-85 -94.73 159.32 15.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.869 . . . . 1.01 109.698 179.834 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -139.36 -171.59 3.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.407 -0.808 . . . . 0.57999999999999996 109.273 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.59 148.68 28.94 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.665 -0.865 . . . . 1.1599999999999999 108.665 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.0 tp -142.04 135.61 29.39 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.379 -0.825 . . . . 1.1699999999999999 109.764 -178.622 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.65 130.73 34.68 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.561 -0.903 . . . . 1.8100000000000001 108.561 178.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.4 111.85 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 109.099 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.85 146.53 44.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.575 -0.703 . . . . 2.8199999999999998 110.089 -179.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.68 135.85 5.91 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.769 -1.333 . . . . 0.45000000000000001 109.769 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.33 -49.03 10.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 3.0800000000000001 109.636 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.28 -40.54 77.98 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.15 -0.969 . . . . 2.54 109.159 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -64.22 -41.64 96.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.94 . . . . 4.1100000000000003 109.338 179.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.02 -56.43 19.89 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.574 -0.704 . . . . 0.56999999999999995 109.893 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.35 -37.1 46.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 1.6599999999999999 109.875 -179.658 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.98 63.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 1.29 110.164 -179.299 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.39 -44.02 97.87 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.144 -0.972 . . . . 0.40000000000000002 109.025 -179.734 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.4 -43.79 62.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 3.8500000000000001 109.248 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.52 -46.58 89.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.78 109.749 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.22 -42.5 98.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.1699999999999999 109.121 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -58.29 -52.57 65.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.2 109.305 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -61.77 -35.84 79.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.363 -0.836 . . . . 2.1200000000000001 109.713 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.55 69.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 109.642 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.46 -46.0 91.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.387 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.67 -35.45 74.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 2.0899999999999999 109.415 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.3 -52.06 60.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.391 -0.818 . . . . 1.3799999999999999 109.454 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -63.37 -46.95 84.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.435 -0.79 . . . . 2.6800000000000002 109.135 179.704 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.89 -36.49 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.488 -0.758 . . . . 1.3400000000000001 109.813 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.27 78.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 1.3 109.741 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.25 -2.95 54.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -0.882 . . . . 1.8 109.717 -179.769 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.04 62.68 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 1.47 109.603 -179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 45.84 3.58 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.386 -1.486 . . . . 1.6599999999999999 109.386 179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.28 64.78 8.47 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -1.137 . . . . 4.7800000000000002 109.484 -179.797 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -51.36 153.52 3.58 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.356 -0.84 . . . . 6.1900000000000004 108.84 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -57.68 144.31 93.2 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 121.005 1.137 . . . . 6.1799999999999997 109.901 179.557 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 118.0 -1.444 . . . . 6.9000000000000004 109.591 179.878 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' D' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.234 -0.654 . . . . 7.6900000000000004 109.234 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' D' ' 321' ' ' LYS . 6.7 tptm 61.93 140.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.395 -0.816 . . . . 7.4500000000000002 109.724 179.724 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' D' ' 320' ' ' LYS . 45.7 pttt 35.43 62.65 2.39 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 122.067 -0.396 . . . . 6.8399999999999999 111.029 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.96 105.9 1.05 Allowed 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.435 1.424 . . . . 5.1200000000000001 109.704 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.58 101.44 9.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.236 -0.915 . . . . 4.6600000000000001 109.652 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.689 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 4.2 m-20 -81.02 -164.65 0.77 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.37 -0.831 . . . . 2.46 109.452 179.647 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.8 -174.21 12.63 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.894 -1.282 . . . . 1.0800000000000001 109.894 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.75 135.61 57.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 1.6699999999999999 109.681 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.689 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 60.2 m-85 -94.72 159.46 15.05 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 1.01 109.621 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.47 -171.54 3.16 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.63 109.211 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.62 148.64 28.87 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.656 -0.868 . . . . 1.1299999999999999 108.656 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.98 135.64 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 1.1000000000000001 109.749 -178.598 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.64 130.77 34.67 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.559 -0.904 . . . . 1.3700000000000001 108.559 178.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.38 111.87 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.471 -0.768 . . . . 1.1499999999999999 109.101 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.95 146.55 43.83 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.578 -0.701 . . . . 2.77 110.015 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.65 135.56 5.79 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.776 -1.329 . . . . 0.42999999999999999 109.776 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -81.96 -49.12 10.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -1.099 . . . . 3.1200000000000001 109.687 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.23 -40.5 77.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 109.186 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.33 -41.55 96.75 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.233 -0.917 . . . . 3.5 109.316 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.03 -56.39 20.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.578 -0.701 . . . . 0.5 109.91 -179.745 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.44 -37.07 46.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 1.6899999999999999 109.829 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.26 -51.95 64.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.208 -0.932 . . . . 1.1399999999999999 110.234 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.37 -44.01 97.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -0.949 . . . . 0.32000000000000001 109.084 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.4 -43.77 62.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.256 -0.903 . . . . 2.96 109.241 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.56 -46.6 89.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.356 -0.84 . . . . 1.75 109.705 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.08 -42.67 98.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 1.0800000000000001 109.104 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.24 -52.59 64.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.895 . . . . 1.22 109.371 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.72 -35.85 79.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.73 109.689 -179.846 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.51 69.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.89 . . . . 1.0700000000000001 109.65 -179.775 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.51 -46.37 90.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.26 -0.9 . . . . 1.1100000000000001 109.335 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.21 -35.59 73.89 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.432 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.31 -52.14 59.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.822 . . . . 1.1699999999999999 109.497 -179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -63.3 -46.76 85.21 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.386 -0.821 . . . . 2.1499999999999999 109.089 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.02 -36.61 75.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.561 -0.712 . . . . 1.4399999999999999 109.772 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.23 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 1.3 109.719 -179.646 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.15 -3.02 54.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.322 -0.861 . . . . 1.3999999999999999 109.792 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.11 62.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 1.6000000000000001 109.596 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.01 45.81 3.58 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.409 -1.476 . . . . 1.5 109.409 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.2 64.7 8.48 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -1.167 . . . . 4.5499999999999998 109.519 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -51.24 153.46 3.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 5.6699999999999999 108.869 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.64 144.28 93.1 Favored 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 120.945 1.096 . . . . 6.1200000000000001 109.944 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 CA-C-O 118.002 -1.443 . . . . 7.2699999999999996 109.592 179.865 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.496 -0.557 . . . . 7.6600000000000001 109.496 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 320' ' ' LYS . 3.9 mptp? 55.07 -80.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.681 . . . . 7.5099999999999998 109.976 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 319' ' ' LYS . 28.9 mtpt 56.85 103.55 0.03 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.417 -0.802 . . . . 6.8099999999999996 109.432 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.54 -152.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 120.854 1.036 . . . . 5.1500000000000004 110.15 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 3.6 mm? -78.41 110.46 13.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.926 . . . . 4.7000000000000002 109.504 -179.808 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.88 -115.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.561 -0.712 . . . . 2.48 109.248 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 155.22 53.58 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.385 -1.486 . . . . 1.0800000000000001 109.385 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.92 134.97 57.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -1.153 . . . . 1.7 109.538 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.32 155.23 17.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.289 -0.882 . . . . 1.04 109.509 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.97 -171.29 2.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.443 -0.786 . . . . 0.65000000000000002 109.443 -179.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.75 148.65 28.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.365 -0.834 . . . . 1.1399999999999999 108.819 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.2 133.79 28.55 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.302 -0.874 . . . . 1.0900000000000001 109.817 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.8 127.48 34.15 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.56 -0.904 . . . . 1.3700000000000001 108.56 179.266 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.9 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.459 -0.776 . . . . 1.1499999999999999 109.444 -179.465 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.403 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.8 ttt-85 -75.65 151.2 37.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 2.79 109.685 179.759 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.45 131.92 3.98 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.121 -1.192 . . . . 0.45000000000000001 110.121 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.02 -48.61 12.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -1.07 . . . . 3.1600000000000001 109.189 179.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.37 -43.32 88.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 108.974 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.51 -42.21 98.5 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.478 -0.764 . . . . 3.54 109.189 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.44 -55.67 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.611 -0.681 . . . . 0.5 109.727 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.84 -36.62 48.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.319 -0.863 . . . . 1.6599999999999999 109.947 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.23 67.44 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.221 -0.924 . . . . 1.1499999999999999 110.237 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.08 -43.71 98.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.078 -1.014 . . . . 0.34000000000000002 108.95 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.37 -45.4 62.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.346 -0.846 . . . . 2.9399999999999999 109.514 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.58 -45.33 94.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.265 -0.897 . . . . 1.74 109.952 -179.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.26 -43.72 98.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.428 -179.83 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.437 ' O ' ' OE2' ' A' ' 349' ' ' GLU . 40.3 t30 -58.98 -50.13 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.904 . . . . 1.22 109.534 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.93 -34.3 74.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 1.72 109.912 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.6 81.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.953 -179.647 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.96 -47.15 86.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.941 . . . . 1.0800000000000001 109.552 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 349' ' ' GLU . 0.1 OUTLIER -55.41 -39.07 69.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.09 -1.006 . . . . 1.9099999999999999 109.6 179.93 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.46 -41.77 98.63 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.089 -1.078 . . . . 1.1499999999999999 108.089 179.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.75 -46.41 89.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 2.1400000000000001 108.465 179.122 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.34 -29.0 63.63 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.248 0.547 . . . . 1.4299999999999999 109.778 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.64 88.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.2 -0.938 . . . . 1.3 109.567 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -82.03 -5.8 58.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 1.4199999999999999 109.643 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -70.64 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 1.5800000000000001 109.531 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.71 80.39 0.06 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 1.54 109.579 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 355' ' ' ALA . 34.1 ttpt -85.93 129.3 34.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.191 -1.182 . . . . 4.5499999999999998 109.442 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.38 153.03 3.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 5.71 109.054 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.96 141.72 85.82 Favored 'Trans proline' 0 C--O 1.215 -0.674 0 C-N-CA 120.999 1.133 . . . . 6.0899999999999999 109.89 179.538 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.452 -1.459 . . . . 7.2400000000000002 109.452 179.882 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.42 -0.585 . . . . 7.6699999999999999 109.42 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' B' ' 320' ' ' LYS . 3.9 mptp? 55.04 -80.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.585 -0.697 . . . . 7.46 109.964 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 319' ' ' LYS . 29.0 mtpt 56.84 103.6 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.319 -0.863 . . . . 6.79 109.388 -179.662 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.54 -152.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 120.807 1.005 . . . . 5.1500000000000004 110.132 -179.507 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 3.6 mm? -78.37 110.51 13.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 4.6600000000000001 109.495 -179.803 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.9 -115.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.534 -0.729 . . . . 2.4700000000000002 109.209 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 155.19 53.59 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.387 -1.485 . . . . 1.0600000000000001 109.387 179.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.97 134.98 57.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -1.147 . . . . 1.6100000000000001 109.522 -179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.25 155.05 17.67 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.96999999999999997 109.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.85 -171.25 2.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.333 -0.854 . . . . 0.59999999999999998 109.434 -179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.76 148.69 28.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.331 -0.856 . . . . 1.1000000000000001 108.836 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -141.19 133.72 28.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.307 -0.87 . . . . 1.1000000000000001 109.881 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.76 127.44 34.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.617 -0.883 . . . . 1.3600000000000001 108.617 179.219 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.97 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.501 -0.749 . . . . 1.1699999999999999 109.424 -179.479 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -75.62 151.17 37.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.427 -0.796 . . . . 2.79 109.725 179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.48 131.93 4.0 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.15 -1.18 . . . . 0.47999999999999998 110.15 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -80.98 -48.69 11.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -1.104 . . . . 3.2200000000000002 109.163 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.27 -43.36 87.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.095 -1.003 . . . . 2.21 109.023 179.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -63.57 -42.18 98.35 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.365 -0.835 . . . . 3.5499999999999998 109.201 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -55.4 -55.59 29.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.628 -0.67 . . . . 0.52000000000000002 109.765 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.96 -36.59 50.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.266 -0.896 . . . . 1.6799999999999999 109.907 -179.561 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.1 -51.24 67.36 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 110.156 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.06 -43.65 98.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.125 -0.985 . . . . 0.33000000000000002 109.055 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.49 -45.19 62.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.345 -0.847 . . . . 3.02 109.55 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.78 -45.21 95.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.872 . . . . 1.75 109.908 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 109.493 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.439 ' O ' ' OE2' ' B' ' 349' ' ' GLU . 40.3 t30 -59.11 -50.08 75.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 1.21 109.475 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -34.35 74.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.158 -0.964 . . . . 1.6899999999999999 109.843 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.73 80.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.19 -0.944 . . . . 1.0600000000000001 109.942 -179.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.77 -47.19 86.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 1.0800000000000001 109.61 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' B' ' 349' ' ' GLU . 0.1 OUTLIER -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 1.9299999999999999 109.547 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.48 -41.81 98.58 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.031 -1.1 . . . . 1.1399999999999999 108.031 179.546 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.18 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.537 -0.912 . . . . 2.1899999999999999 108.537 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.33 -29.12 63.69 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.284 0.564 . . . . 1.4299999999999999 109.757 179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.67 89.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 1.3100000000000001 109.592 -179.808 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -81.98 -5.86 58.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 1.3999999999999999 109.593 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -70.58 -87.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.5700000000000001 109.61 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.76 80.43 0.06 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.596 -1.402 . . . . 1.53 109.596 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' B' ' 355' ' ' ALA . 34.1 ttpt -85.93 129.26 34.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.239 -1.154 . . . . 4.5800000000000001 109.511 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.28 153.0 3.77 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 5.6799999999999997 109.086 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.87 141.63 85.23 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.073 1.182 . . . . 6.0499999999999998 109.948 179.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 118.019 -1.434 . . . . 7.2000000000000002 109.526 179.878 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' C' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.449 -0.574 . . . . 9.2200000000000006 109.449 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' C' ' 320' ' ' LYS . 3.9 mptp? 55.1 -80.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.481 -0.762 . . . . 8.5099999999999998 110.024 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' C' ' 319' ' ' LYS . 28.9 mtpt 56.91 103.41 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 7.4199999999999999 109.47 -179.772 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.36 -153.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 120.863 1.042 . . . . 5.0499999999999998 110.168 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.6 mm? -78.39 110.46 13.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 5.1399999999999997 109.45 -179.83 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.87 -115.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.535 -0.728 . . . . 2.8500000000000001 109.246 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.94 155.24 53.56 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.333 -1.507 . . . . 1.27 109.333 179.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.94 135.02 57.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 2.1099999999999999 109.539 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -93.34 155.16 17.56 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.209 -0.932 . . . . 1.01 109.489 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.87 -171.22 2.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.386 -0.821 . . . . 0.57999999999999996 109.418 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.83 148.52 27.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 1.1599999999999999 108.884 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.15 133.85 28.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.268 -0.895 . . . . 1.1699999999999999 109.84 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.86 127.39 34.13 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.64 -0.874 . . . . 1.8100000000000001 108.64 179.279 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.86 114.89 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.489 -0.757 . . . . 1.1299999999999999 109.47 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.8 ttt-85 -75.72 151.23 37.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.519 -0.738 . . . . 2.8199999999999998 109.583 179.799 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.44 131.98 3.99 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.133 -1.187 . . . . 0.45000000000000001 110.133 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.04 -48.64 11.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -1.071 . . . . 3.0800000000000001 109.236 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.36 -43.24 88.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 2.54 108.993 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.6 -42.2 98.27 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.332 -0.855 . . . . 4.1100000000000003 109.184 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -55.48 -55.53 30.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.636 -0.665 . . . . 0.56999999999999995 109.776 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.94 -36.65 49.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.6599999999999999 109.91 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.99 -51.32 67.32 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 1.29 110.184 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.08 -43.65 98.56 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.116 -0.99 . . . . 0.40000000000000002 109.047 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.46 -45.28 62.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.227 -0.921 . . . . 3.8500000000000001 109.548 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.62 -45.31 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 1.78 109.924 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.32 -43.68 98.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.942 . . . . 1.1699999999999999 109.42 -179.807 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.45 ' O ' ' OE2' ' C' ' 349' ' ' GLU . 40.5 t30 -59.05 -50.03 75.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 1.2 109.502 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.94 -34.35 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.926 . . . . 2.1200000000000001 109.872 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.61 80.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 109.967 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -47.07 86.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 1.1399999999999999 109.607 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' C' ' 349' ' ' GLU . 0.1 OUTLIER -55.56 -39.02 70.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.038 -1.039 . . . . 2.0899999999999999 109.531 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.44 -41.82 98.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.056 -1.09 . . . . 1.3799999999999999 108.056 179.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.68 -46.4 89.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 2.6800000000000002 108.538 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.27 -29.07 63.53 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.304 0.573 . . . . 1.3400000000000001 109.832 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.57 89.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 1.3 109.67 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -82.11 -5.81 58.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.859 . . . . 1.8 109.56 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -70.6 -87.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 1.47 109.585 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.71 80.44 0.06 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.614 -1.394 . . . . 1.6599999999999999 109.614 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' C' ' 355' ' ' ALA . 34.1 ttpt -85.97 129.27 34.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.212 -1.169 . . . . 4.7800000000000002 109.457 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -51.26 153.06 3.72 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 6.1900000000000004 109.083 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.94 141.68 85.73 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 121.125 1.217 . . . . 6.1799999999999997 109.905 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.527 179.852 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' D' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.474 -0.565 . . . . 7.6900000000000004 109.474 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' D' ' 320' ' ' LYS . 3.9 mptp? 55.08 -80.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.516 -0.74 . . . . 7.4500000000000002 110.011 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' D' ' 319' ' ' LYS . 28.8 mtpt 56.87 103.52 0.03 OUTLIER Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.348 -0.845 . . . . 6.8399999999999999 109.434 -179.732 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.52 -152.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 120.789 0.993 . . . . 5.1200000000000001 110.133 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' D' ' 323' ' ' LEU . 3.6 mm? -78.4 110.48 13.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 4.6600000000000001 109.457 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.93 -115.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.579 -0.701 . . . . 2.46 109.185 179.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 155.23 53.58 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.402 -1.479 . . . . 1.0800000000000001 109.402 179.759 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -59.01 134.98 57.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -1.172 . . . . 1.6699999999999999 109.527 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -93.22 155.15 17.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.3 -0.875 . . . . 1.01 109.619 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.96 -171.36 2.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.42 -0.8 . . . . 0.63 109.382 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 148.57 28.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.218 -0.926 . . . . 1.1299999999999999 108.882 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.13 133.92 28.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.266 -0.896 . . . . 1.1000000000000001 109.843 -178.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.93 127.39 34.15 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.584 -0.895 . . . . 1.3700000000000001 108.584 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.3 mt -123.87 114.88 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.543 -0.723 . . . . 1.1499999999999999 109.481 -179.449 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.4 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.8 ttt-85 -75.59 151.28 37.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.513 -0.742 . . . . 2.77 109.72 179.717 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.37 131.91 3.94 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.142 -1.183 . . . . 0.42999999999999999 110.142 179.659 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.01 -48.55 12.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -1.098 . . . . 3.1200000000000001 109.235 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.4 -43.29 88.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.193 -0.942 . . . . 2.2200000000000002 109.017 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.418 -0.801 . . . . 3.5 109.222 179.604 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.653 -0.654 . . . . 0.5 109.785 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.78 -36.73 48.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.6899999999999999 109.955 -179.675 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.18 67.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.23 -0.918 . . . . 1.1399999999999999 110.237 -179.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.15 -43.59 98.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.226 -0.922 . . . . 0.32000000000000001 109.034 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.47 -45.31 62.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.288 -0.883 . . . . 2.96 109.444 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.66 -45.23 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 1.75 109.972 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.37 -43.65 98.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.955 . . . . 1.0800000000000001 109.477 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.452 ' O ' ' OE2' ' D' ' 349' ' ' GLU . 40.3 t30 -59.01 -50.09 75.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.117 -0.989 . . . . 1.22 109.545 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.98 -34.37 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 1.73 109.826 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.63 80.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.94 -179.648 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.74 -47.23 86.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 1.1100000000000001 109.635 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' D' ' 349' ' ' GLU . 0.1 OUTLIER -55.39 -39.1 69.76 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.115 -0.991 . . . . 1.9099999999999999 109.614 179.961 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.44 -41.8 98.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.077 -1.083 . . . . 1.1699999999999999 108.077 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.16 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.502 -0.925 . . . . 2.1499999999999999 108.502 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.32 -29.15 63.7 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.266 0.555 . . . . 1.4399999999999999 109.721 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.64 89.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.235 -0.916 . . . . 1.3 109.597 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.06 -5.86 58.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.237 -0.914 . . . . 1.3999999999999999 109.567 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -70.55 -87.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.281 -0.887 . . . . 1.6000000000000001 109.539 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.73 80.52 0.06 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.605 -1.398 . . . . 1.5 109.605 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' D' ' 355' ' ' ALA . 34.1 ttpt -86.1 129.27 34.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -1.127 . . . . 4.5499999999999998 109.359 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.31 153.03 3.8 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 5.6699999999999999 109.087 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.96 141.72 85.8 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.094 1.196 . . . . 6.1200000000000001 109.906 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.45 -1.46 . . . . 7.2699999999999996 109.45 179.891 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.428 -0.582 . . . . 7.6600000000000001 109.428 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.82 75.62 0.26 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.41 -0.806 . . . . 7.5099999999999998 109.661 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 322' ' ' PRO . 7.6 mtmp? 56.15 82.08 0.25 Allowed Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.336 -0.853 . . . . 6.8099999999999996 110.051 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.4 Cg_exo -59.53 -146.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.21 1.273 . . . . 5.1500000000000004 109.952 -179.687 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 mt -77.45 99.98 5.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.004 -1.06 . . . . 4.7000000000000002 109.226 -179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 327' ' ' TYR . 37.7 m-20 -81.22 159.26 24.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.458 -0.776 . . . . 2.48 109.649 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 166.03 46.68 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.389 -1.484 . . . . 1.0800000000000001 109.389 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.33 139.7 56.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.269 -1.136 . . . . 1.7 109.507 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 324' ' ' ASP . 82.1 m-85 -95.46 150.0 20.78 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.273 -0.892 . . . . 1.04 109.989 -179.775 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.05 137.55 32.99 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.453 -0.943 . . . . 0.65000000000000002 108.453 178.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -95.92 163.22 13.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.379 -0.825 . . . . 1.1399999999999999 109.326 -179.49 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.81 129.93 14.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 1.0900000000000001 110.092 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.92 124.9 32.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.1 117.02 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.496 -0.752 . . . . 1.1499999999999999 109.669 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.48 156.84 34.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.468 -0.77 . . . . 2.79 109.881 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.8 136.99 3.19 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.332 -1.107 . . . . 0.45000000000000001 110.332 179.093 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.48 -47.01 12.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.353 -1.086 . . . . 3.1600000000000001 109.037 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.49 -45.19 89.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 2.2200000000000002 109.074 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.5 -44.06 96.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.386 -0.821 . . . . 3.54 109.281 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.2 -57.8 9.79 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.513 -0.742 . . . . 0.5 109.537 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.1 -39.97 60.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.4 -0.812 . . . . 1.6599999999999999 109.802 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.37 -49.61 73.15 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 110.193 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.41 97.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.34000000000000002 109.138 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.21 -42.76 61.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.186 -0.946 . . . . 2.9399999999999999 109.362 179.623 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.14 -44.62 97.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 1.74 109.859 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.51 -44.11 97.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.131 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.55 -52.76 64.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 1.22 109.535 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.49 -35.8 81.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 1.72 109.994 -179.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.34 65.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 110.239 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.53 -43.1 99.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.599 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.19 -34.99 72.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.165 -0.96 . . . . 1.9099999999999999 109.514 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.66 -48.72 73.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.304 -0.873 . . . . 1.1499999999999999 109.695 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.44 -42.94 99.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.312 -0.868 . . . . 2.1400000000000001 108.97 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.451 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 50.6 m-20 -55.95 -32.85 64.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.419 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -54.3 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.372 -0.83 . . . . 1.3 110.135 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -81.23 -5.0 57.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 1.4199999999999999 110.224 -179.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.7 -16.1 62.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 1.5800000000000001 109.338 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 32.31 3.7 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.63 -1.388 . . . . 1.54 109.63 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.89 90.68 8.41 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.143 -1.21 . . . . 4.5499999999999998 109.367 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.54 114.46 5.67 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 5.71 109.182 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.97 114.93 2.3 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 N-CA-C 109.993 -0.81 . . . . 6.0899999999999999 109.993 -179.719 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.455 -1.458 . . . . 7.2400000000000002 109.455 179.85 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.448 -0.575 . . . . 7.6699999999999999 109.448 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.87 75.54 0.27 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.411 -0.806 . . . . 7.46 109.636 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 322' ' ' PRO . 7.6 mtmp? 56.28 81.99 0.25 Allowed Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 6.79 110.033 179.43 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' B' ' 321' ' ' LYS . 5.5 Cg_exo -59.42 -146.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.275 1.317 . . . . 5.1500000000000004 109.901 -179.67 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.46 100.03 5.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.982 -1.074 . . . . 4.6600000000000001 109.192 -179.9 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.434 ' CB ' ' OH ' ' B' ' 327' ' ' TYR . 37.3 m-20 -81.21 159.22 24.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.496 -0.752 . . . . 2.4700000000000002 109.667 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 165.92 46.65 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.386 -1.486 . . . . 1.0600000000000001 109.386 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.21 139.73 56.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -1.213 . . . . 1.6100000000000001 109.492 -179.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.434 ' OH ' ' CB ' ' B' ' 324' ' ' ASP . 81.5 m-85 -95.43 149.92 20.87 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.96999999999999997 109.986 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.05 137.58 33.01 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.428 -0.953 . . . . 0.59999999999999998 108.428 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -95.78 163.28 13.24 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.311 -0.868 . . . . 1.1000000000000001 109.312 -179.422 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.93 129.84 14.31 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.862 . . . . 1.1000000000000001 110.093 -179.119 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.91 124.84 32.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.573 -0.899 . . . . 1.3600000000000001 108.573 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.02 117.14 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.529 -0.732 . . . . 1.1699999999999999 109.62 -179.362 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -75.65 156.96 34.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.833 . . . . 2.79 109.796 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.88 3.16 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.311 -1.116 . . . . 0.47999999999999998 110.311 179.096 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.4 -47.04 12.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -1.036 . . . . 3.2200000000000002 109.056 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.44 -45.28 88.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 2.21 109.041 179.556 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 22.9 ttm180 -60.55 -43.87 96.74 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.356 -0.84 . . . . 3.5499999999999998 109.257 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.33 -57.86 9.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.543 -0.723 . . . . 0.52000000000000002 109.484 -179.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.03 -39.96 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.858 -179.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.5 -49.43 73.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 110.19 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.28 -44.53 97.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.33000000000000002 109.065 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.1 -42.84 60.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.945 . . . . 3.02 109.382 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.06 -44.68 97.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 1.75 109.851 -179.718 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -44.07 97.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 1.0700000000000001 109.112 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.67 -52.65 64.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 1.21 109.528 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.51 -35.89 81.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.926 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -52.36 65.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.858 . . . . 1.0600000000000001 110.16 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.4 -43.15 99.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.986 . . . . 1.0800000000000001 109.628 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.23 -35.09 73.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 1.9299999999999999 109.412 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -48.79 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 1.1399999999999999 109.691 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.36 -42.91 99.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 2.1899999999999999 109.017 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -56.0 -32.75 64.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.607 -0.683 . . . . 1.4299999999999999 109.456 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.21 18.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 1.3100000000000001 110.156 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.26 -5.08 57.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 1.3999999999999999 110.249 -179.185 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -16.15 62.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.908 -1.12 . . . . 1.5700000000000001 109.381 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.69 32.44 3.69 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.588 -1.405 . . . . 1.53 109.588 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.97 90.64 8.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.195 -1.179 . . . . 4.5800000000000001 109.398 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.4 114.3 5.4 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.168 -0.957 . . . . 5.6799999999999997 109.216 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.87 114.87 2.26 Favored 'Trans proline' 0 C--O 1.214 -0.683 0 N-CA-C 110.016 -0.802 . . . . 6.0499999999999998 110.016 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.396 -1.482 . . . . 7.2000000000000002 109.396 179.883 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 89.2 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.454 -0.573 . . . . 9.2200000000000006 109.454 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.75 75.62 0.26 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.457 -0.777 . . . . 8.5099999999999998 109.686 -179.895 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' C' ' 322' ' ' PRO . 7.6 mtmp? 56.24 82.02 0.25 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.422 -0.799 . . . . 7.4199999999999999 110.06 179.431 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' C' ' 321' ' ' LYS . 5.4 Cg_exo -59.5 -146.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.246 1.298 . . . . 5.0499999999999998 109.87 -179.655 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -77.46 100.02 5.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.975 -1.078 . . . . 5.1399999999999997 109.192 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.439 ' CB ' ' OH ' ' C' ' 327' ' ' TYR . 37.5 m-20 -81.22 159.3 24.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.442 -0.786 . . . . 2.8500000000000001 109.629 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 165.9 46.85 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.459 -1.456 . . . . 1.27 109.459 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.3 139.73 56.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -1.172 . . . . 2.1099999999999999 109.514 -179.867 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.439 ' OH ' ' CB ' ' C' ' 324' ' ' ASP . 82.2 m-85 -95.41 149.8 20.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.176 -0.952 . . . . 1.01 110.061 -179.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -140.91 137.54 33.22 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.437 -0.949 . . . . 0.57999999999999996 108.437 178.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.5 p -95.69 163.28 13.25 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.335 -0.853 . . . . 1.1599999999999999 109.367 -179.509 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.92 129.94 14.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.953 . . . . 1.1699999999999999 110.027 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.95 124.8 32.08 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.641 -0.874 . . . . 1.8100000000000001 108.641 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.05 117.13 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 121.558 -0.714 . . . . 1.1299999999999999 109.695 -179.391 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.63 156.92 34.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.77 . . . . 2.8199999999999998 109.817 179.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.87 3.17 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.346 -1.101 . . . . 0.45000000000000001 110.346 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.35 -47.08 12.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -1.032 . . . . 3.0800000000000001 109.036 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.51 -45.25 89.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.877 . . . . 2.54 108.966 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.451 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 22.9 ttm180 -60.57 -43.87 96.82 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.354 -0.841 . . . . 4.1100000000000003 109.276 179.729 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.34 -57.8 9.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.724 . . . . 0.56999999999999995 109.533 -179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.09 -39.94 60.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 109.796 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.45 -49.53 73.3 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.21 -0.931 . . . . 1.29 110.175 -179.345 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.47 97.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.095 -1.003 . . . . 0.40000000000000002 109.099 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.24 -42.85 61.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.25 -0.906 . . . . 3.8500000000000001 109.358 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.97 -44.7 96.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.78 109.942 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.37 -44.2 97.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 1.1699999999999999 109.096 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.63 -52.63 64.86 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.273 -0.892 . . . . 1.2 109.561 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.54 -35.87 81.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 110.008 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.44 65.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 110.214 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.5 -42.97 99.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.132 -0.98 . . . . 1.1399999999999999 109.697 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.32 -34.98 72.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.0899999999999999 109.498 179.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.59 -48.83 73.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 1.3799999999999999 109.686 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.42 -42.88 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 2.6800000000000002 108.966 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.534 -0.728 . . . . 1.3400000000000001 109.465 179.756 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -54.24 18.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.3 110.139 -179.615 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.22 -4.99 57.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.273 -0.892 . . . . 1.8 110.249 -179.197 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.73 -16.11 62.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.004 -1.06 . . . . 1.47 109.403 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.64 32.35 3.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.583 -1.407 . . . . 1.6599999999999999 109.583 179.861 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.85 90.6 8.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.136 -1.214 . . . . 4.7800000000000002 109.41 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.51 114.28 5.44 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 109.169 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.79 114.9 2.27 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 N-CA-C 109.985 -0.814 . . . . 6.1799999999999997 109.985 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.382 -1.487 . . . . 6.9000000000000004 109.382 179.89 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 89.2 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.406 -0.59 . . . . 7.6900000000000004 109.406 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 53.76 75.6 0.26 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.424 -0.797 . . . . 7.4500000000000002 109.669 -179.863 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 322' ' ' PRO . 7.6 mtmp? 56.28 82.05 0.25 Allowed Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.351 -0.843 . . . . 6.8399999999999999 110.006 179.395 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' D' ' 321' ' ' LYS . 5.4 Cg_exo -59.6 -146.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 121.371 1.381 . . . . 5.1200000000000001 109.791 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.43 100.12 5.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.011 -1.055 . . . . 4.6600000000000001 109.14 -179.863 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.435 ' CB ' ' OH ' ' D' ' 327' ' ' TYR . 37.5 m-20 -81.24 159.24 24.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.457 -0.777 . . . . 2.46 109.662 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 166.04 46.32 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.394 -1.483 . . . . 1.0800000000000001 109.394 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.42 139.6 56.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -1.145 . . . . 1.6699999999999999 109.409 -179.867 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.435 ' OH ' ' CB ' ' D' ' 324' ' ' ASP . 82.2 m-85 -95.37 149.97 20.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 1.01 109.976 -179.806 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.06 137.66 33.04 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.403 -0.962 . . . . 0.63 108.403 178.782 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -95.87 163.09 13.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 1.1299999999999999 109.442 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.8 129.92 14.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 1.1000000000000001 110.0 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.88 124.84 32.09 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.05 117.02 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.534 -0.728 . . . . 1.1499999999999999 109.765 -179.379 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -75.46 156.79 34.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.493 -0.754 . . . . 2.77 109.867 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.88 136.94 3.21 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.351 -1.1 . . . . 0.42999999999999999 110.351 179.063 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.47 -46.94 12.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.42 -1.047 . . . . 3.1200000000000001 109.104 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.59 -45.15 89.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 2.2200000000000002 108.964 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.418 -0.801 . . . . 3.5 109.283 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -54.3 -57.71 10.17 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.495 -0.753 . . . . 0.5 109.554 -179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.17 -39.9 60.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.359 -0.838 . . . . 1.6899999999999999 109.797 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.48 -49.45 73.55 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.257 -0.902 . . . . 1.1399999999999999 110.222 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.37 -44.33 97.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.0 . . . . 0.32000000000000001 109.12 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.23 -42.85 61.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 2.96 109.326 179.641 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.05 -44.63 97.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.75 109.881 -179.691 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.48 -44.07 97.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.142 -0.974 . . . . 1.0800000000000001 109.161 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.69 -52.57 65.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.22 109.587 179.765 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.6 -35.82 81.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.73 110.01 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.36 65.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 1.0700000000000001 110.253 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.56 -43.07 99.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.964 . . . . 1.1100000000000001 109.59 -179.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.2 -35.04 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.469 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.64 -48.85 73.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 1.1699999999999999 109.588 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.35 -42.94 99.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.28 -0.888 . . . . 2.1499999999999999 108.995 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 50.4 m-20 -56.01 -32.77 64.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.582 -0.699 . . . . 1.4399999999999999 109.426 179.733 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.21 18.41 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.388 -0.82 . . . . 1.3 110.168 -179.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.22 -5.06 57.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 1.3999999999999999 110.265 -179.19 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.67 -16.06 62.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.928 -1.108 . . . . 1.6000000000000001 109.35 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.76 32.43 3.71 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.625 -1.39 . . . . 1.5 109.625 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.94 90.76 8.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.18 -1.188 . . . . 4.5499999999999998 109.369 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.6 114.36 5.58 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 5.6699999999999999 109.205 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.79 114.92 2.28 Favored 'Trans proline' 0 C--O 1.214 -0.68 0 N-CA-C 109.992 -0.811 . . . . 6.1200000000000001 109.992 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.444 -1.462 . . . . 7.2699999999999996 109.444 179.825 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.405 -0.591 . . . . 7.6600000000000001 109.405 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 321' ' ' LYS . 86.6 mttt 54.13 23.94 4.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.867 . . . . 7.5099999999999998 109.567 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 320' ' ' LYS . 40.0 mttp 60.0 147.67 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.726 -0.609 . . . . 6.8099999999999996 109.58 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.6 Cg_endo -57.71 -155.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 120.912 1.075 . . . . 5.1500000000000004 109.85 179.462 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.48 120.92 24.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.218 -0.926 . . . . 4.7000000000000002 109.239 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -80.39 -119.38 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -0.895 . . . . 2.48 109.912 -179.676 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 152.65 52.5 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.915 -1.274 . . . . 1.0800000000000001 109.915 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.75 139.71 57.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -1.038 . . . . 1.7 109.62 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.74 149.53 21.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.218 -0.926 . . . . 1.04 109.654 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -140.18 138.37 35.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 108.947 179.407 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.95 163.35 12.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 1.1399999999999999 109.062 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.9 tp -149.33 134.01 17.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.083 -1.01 . . . . 1.0900000000000001 110.088 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -84.99 125.59 32.83 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.726 -0.842 . . . . 1.3700000000000001 108.726 179.376 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.85 111.62 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.584 -0.698 . . . . 1.1499999999999999 109.41 -179.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -74.66 156.29 36.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 2.79 109.854 179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.76 138.56 4.19 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.17 -1.172 . . . . 0.45000000000000001 110.17 179.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -85.2 -48.41 9.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.383 -1.069 . . . . 3.1600000000000001 109.41 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.7 -44.17 90.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 109.332 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.49 -44.11 97.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.326 -0.859 . . . . 3.54 109.271 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.8 -57.49 10.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.645 -0.66 . . . . 0.5 109.606 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -51.11 -38.56 52.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.791 -179.695 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.09 -51.21 67.48 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.315 -0.865 . . . . 1.1499999999999999 110.24 -179.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.93 -42.9 99.05 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.34000000000000002 109.121 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.63 -42.94 62.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.197 -0.939 . . . . 2.9399999999999999 109.241 179.649 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.02 -45.56 94.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.367 -0.833 . . . . 1.74 109.844 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.08 -43.18 99.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.0700000000000001 109.228 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.03 -51.3 70.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.22 109.523 179.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.94 -37.32 86.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.72 109.732 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -52.44 65.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 109.921 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.2 -44.64 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.477 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.3 -35.2 73.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.368 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.8 -51.82 60.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.377 -0.827 . . . . 1.1499999999999999 109.29 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.436 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.57 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 2.1400000000000001 109.123 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -35.49 69.56 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.529 179.773 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.86 80.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 1.3 109.711 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.56 -3.37 53.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.4199999999999999 109.612 -179.783 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -89.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.979 . . . . 1.5800000000000001 109.328 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.1 99.16 0.76 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.405 -1.478 . . . . 1.54 109.405 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -86.2 -143.42 0.1 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -1.186 . . . . 4.5499999999999998 109.31 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.91 153.03 4.78 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.144 -0.973 . . . . 5.71 108.975 -179.917 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.59 128.67 31.35 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 120.966 1.11 . . . . 6.0899999999999999 109.78 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 CA-C-O 117.944 -1.475 . . . . 7.2400000000000002 109.478 -179.971 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.33 -0.618 . . . . 7.6699999999999999 109.33 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 321' ' ' LYS . 86.5 mttt 54.12 23.91 4.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 7.46 109.548 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 320' ' ' LYS . 39.9 mttp 60.06 147.8 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.663 -0.648 . . . . 6.79 109.531 179.798 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.7 Cg_endo -57.82 -155.53 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 120.943 1.095 . . . . 5.1500000000000004 109.822 179.502 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.48 120.89 24.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 4.6600000000000001 109.274 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -80.48 -119.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 2.4700000000000002 109.79 -179.561 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 152.59 52.48 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.956 -1.258 . . . . 1.0600000000000001 109.956 -179.567 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -59.73 139.76 57.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.455 -1.026 . . . . 1.6100000000000001 109.56 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.71 149.42 21.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.96999999999999997 109.743 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -140.2 138.27 35.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.306 -0.871 . . . . 0.59999999999999998 109.038 179.375 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 30.4 p -97.85 163.23 12.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.43 -0.794 . . . . 1.1000000000000001 109.044 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.2 tp -149.28 134.01 17.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.123 -0.986 . . . . 1.1000000000000001 110.035 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.63 32.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.3600000000000001 108.762 179.369 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.86 111.66 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.58 -0.7 . . . . 1.1699999999999999 109.397 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.402 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 32.9 ttt-85 -74.71 156.29 36.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.475 -0.765 . . . . 2.79 109.758 179.849 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.8 138.62 4.24 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.117 -1.193 . . . . 0.47999999999999998 110.117 179.411 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.18 -48.56 9.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -1.058 . . . . 3.2200000000000002 109.403 179.766 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.62 -44.12 89.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 2.21 109.417 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.57 -43.98 97.87 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.222 -0.924 . . . . 3.5499999999999998 109.262 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -53.91 -57.47 10.83 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.534 -0.729 . . . . 0.52000000000000002 109.577 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.04 -38.59 52.38 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 1.6799999999999999 109.88 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.15 -51.11 67.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.2 -0.938 . . . . 1.1499999999999999 110.2 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.08 -42.88 99.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.33000000000000002 109.044 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.56 -42.96 62.23 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.934 . . . . 3.02 109.285 179.604 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -61.05 -45.57 94.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.851 . . . . 1.75 109.808 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.03 -43.19 99.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.286 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -58.12 -51.18 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.251 -0.906 . . . . 1.21 109.526 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.0 -37.31 86.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 1.6899999999999999 109.719 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.34 66.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 1.0600000000000001 109.942 -179.583 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.24 -44.65 96.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.493 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.33 -35.03 73.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.318 -0.864 . . . . 1.9299999999999999 109.482 179.897 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.91 -51.87 59.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.1399999999999999 109.229 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -61.5 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.872 . . . . 2.1899999999999999 109.16 179.77 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -35.61 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.592 -0.692 . . . . 1.4299999999999999 109.414 179.818 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.74 80.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 1.3100000000000001 109.696 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.65 -3.31 53.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 1.3999999999999999 109.653 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.99 -89.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 1.5700000000000001 109.432 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.04 99.19 0.76 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.43 -1.468 . . . . 1.53 109.43 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.21 -143.41 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -1.163 . . . . 4.5800000000000001 109.31 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.95 153.02 4.86 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.155 -0.965 . . . . 5.6799999999999997 108.969 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.61 128.64 31.19 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.018 1.145 . . . . 6.0499999999999998 109.69 179.462 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.555 -1.418 . . . . 7.2000000000000002 109.555 179.948 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.333 -0.617 . . . . 9.2200000000000006 109.333 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' C' ' 321' ' ' LYS . 86.7 mttt 54.06 23.95 4.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.306 -0.871 . . . . 8.5099999999999998 109.554 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' C' ' 320' ' ' LYS . 40.0 mttp 60.02 147.69 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 121.7 -0.625 . . . . 7.4199999999999999 109.532 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.6 Cg_endo -57.66 -155.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 120.955 1.103 . . . . 5.0499999999999998 109.796 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.4 120.89 24.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.274 -0.891 . . . . 5.1399999999999997 109.285 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.38 -119.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 2.8500000000000001 109.893 -179.674 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.74 152.58 52.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.9 -1.28 . . . . 1.27 109.9 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.67 139.76 56.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.452 -1.028 . . . . 2.1099999999999999 109.529 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.74 149.46 21.46 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.228 -0.92 . . . . 1.01 109.744 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.18 138.38 35.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.4 -0.812 . . . . 0.57999999999999996 108.939 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 30.5 p -97.91 163.32 12.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 1.1599999999999999 109.054 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.29 134.02 17.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.056 -1.027 . . . . 1.1699999999999999 110.04 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -85.12 125.67 32.98 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.691 -0.855 . . . . 1.8100000000000001 108.691 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.89 111.72 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.581 -0.699 . . . . 1.1299999999999999 109.403 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' C' ' 333' ' ' ARG . 32.7 ttt-85 -74.68 156.27 36.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.845 . . . . 2.8199999999999998 109.782 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.58 4.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.219 -1.152 . . . . 0.45000000000000001 110.219 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.1 -48.5 9.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.352 -1.087 . . . . 3.0800000000000001 109.527 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -58.62 -44.15 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 2.54 109.409 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.55 -44.1 97.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.251 -0.906 . . . . 4.1100000000000003 109.238 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -53.78 -57.48 10.74 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.525 -0.734 . . . . 0.56999999999999995 109.651 179.915 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -51.16 -38.52 52.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.852 . . . . 1.6599999999999999 109.778 -179.657 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.05 -51.27 67.36 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.297 -0.877 . . . . 1.29 110.188 -179.3 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.93 -42.95 99.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.101 -1.0 . . . . 0.40000000000000002 109.067 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.56 -43.0 62.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.153 -0.967 . . . . 3.8500000000000001 109.208 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -60.93 -45.66 93.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.388 -0.82 . . . . 1.78 109.853 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.91 -43.38 98.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.115 -0.99 . . . . 1.1699999999999999 109.218 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -57.99 -51.31 70.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.263 -0.898 . . . . 1.2 109.512 179.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.96 -37.28 86.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.734 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.36 66.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 1.0700000000000001 109.957 -179.611 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.3 mt -61.19 -44.71 96.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 109.485 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.33 -35.07 73.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.353 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.9 -51.85 59.68 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 1.3799999999999999 109.247 -179.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.56 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.267 -0.896 . . . . 2.6800000000000002 109.113 179.831 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -35.49 69.63 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.599 -0.688 . . . . 1.3400000000000001 109.417 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.81 80.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 1.3 109.685 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.61 -3.39 53.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 1.8 109.611 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.01 -89.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.123 -0.986 . . . . 1.47 109.387 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.09 99.17 0.76 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.428 -1.469 . . . . 1.6599999999999999 109.428 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.18 -143.45 0.1 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.177 -1.19 . . . . 4.7800000000000002 109.293 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.89 153.03 4.75 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.123 -0.986 . . . . 6.1900000000000004 108.967 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.59 128.61 31.1 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.997 1.131 . . . . 6.1799999999999997 109.768 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.962 -1.465 . . . . 6.9000000000000004 109.569 -179.988 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 7.6900000000000004 109.334 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 321' ' ' LYS . 86.4 mttt 53.99 24.01 4.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.855 . . . . 7.4500000000000002 109.594 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 320' ' ' LYS . 39.9 mttp 60.01 147.79 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.683 . . . . 6.8399999999999999 109.512 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' D' ' 321' ' ' LYS . 1.7 Cg_endo -57.77 -155.59 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 120.983 1.122 . . . . 5.1200000000000001 109.805 179.521 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.45 120.94 24.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 4.6600000000000001 109.264 179.821 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -80.53 -119.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.256 -0.902 . . . . 2.46 109.824 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 152.63 52.5 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.931 -1.267 . . . . 1.0800000000000001 109.931 -179.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -59.74 139.83 56.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -1.086 . . . . 1.6699999999999999 109.558 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -95.91 149.53 21.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.251 -0.906 . . . . 1.01 109.669 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -140.19 138.33 35.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.348 -0.845 . . . . 0.63 108.951 179.429 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.91 163.16 12.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.366 -0.834 . . . . 1.1299999999999999 109.104 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 44.1 tp -149.24 134.0 17.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.143 -0.973 . . . . 1.1000000000000001 110.059 -179.334 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.65 32.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.759 -0.83 . . . . 1.3700000000000001 108.759 179.357 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.87 111.65 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.527 -0.733 . . . . 1.1499999999999999 109.502 -179.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 32.8 ttt-85 -74.65 156.2 36.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.385 -0.822 . . . . 2.77 109.837 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.84 138.58 4.25 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.14 -1.184 . . . . 0.42999999999999999 110.14 179.402 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.16 -48.5 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -1.061 . . . . 3.1200000000000001 109.359 179.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.72 -44.12 90.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.2200000000000002 109.329 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.58 -44.02 97.79 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.325 -0.859 . . . . 3.5 109.215 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.87 -57.49 10.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.545 -0.722 . . . . 0.5 109.597 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.1 -38.47 52.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 1.6899999999999999 109.872 -179.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.13 -51.15 67.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.185 -0.947 . . . . 1.1399999999999999 110.248 -179.366 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.03 -42.89 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.106 -0.996 . . . . 0.32000000000000001 109.097 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.57 -42.91 62.22 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.255 -0.903 . . . . 2.96 109.273 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.03 -45.59 94.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.75 109.855 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.01 -43.26 99.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.233 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.05 -51.28 70.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 1.22 109.531 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.97 -37.19 86.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 1.73 109.841 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.43 65.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 1.0700000000000001 109.96 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.23 -44.63 96.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.1100000000000001 109.47 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.31 -35.12 73.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.893 . . . . 1.9099999999999999 109.441 179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.93 -51.73 60.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.248 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.424 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.64 -43.15 99.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.239 -0.913 . . . . 2.1499999999999999 109.12 179.765 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -35.51 69.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 1.4399999999999999 109.474 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.79 80.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 1.3 109.798 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.56 -3.3 52.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 1.3999999999999999 109.662 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -89.79 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 1.6000000000000001 109.385 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.01 99.2 0.76 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.366 -1.494 . . . . 1.5 109.366 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.27 -143.5 0.1 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -1.166 . . . . 4.5499999999999998 109.26 -179.829 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.85 153.01 4.7 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 5.6699999999999999 108.979 -179.855 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.58 128.6 31.05 Favored 'Trans proline' 0 C--N 1.322 -0.846 0 C-N-CA 121.029 1.153 . . . . 6.1200000000000001 109.776 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 117.991 -1.449 . . . . 7.2699999999999996 109.57 -179.999 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.348 -0.612 . . . . 7.6600000000000001 109.348 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.61 -147.72 0.37 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 7.5099999999999998 109.343 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.54 67.43 3.94 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.882 . . . . 6.8099999999999996 109.822 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -59.16 -151.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.609 1.54 . . . . 5.1500000000000004 109.898 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.95 103.75 9.12 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 4.7000000000000002 109.267 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.68 136.05 35.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 2.48 109.714 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.13 158.08 53.3 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.318 -1.513 . . . . 1.0800000000000001 109.318 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.62 134.93 57.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -1.164 . . . . 1.7 109.603 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.24 153.93 18.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.25 -0.906 . . . . 1.04 109.39 179.788 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.17 -173.02 3.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.314 -0.866 . . . . 0.65000000000000002 109.308 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -150.82 153.14 34.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.239 -0.913 . . . . 1.1399999999999999 108.957 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 30.1 tp -143.9 130.36 19.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 1.0900000000000001 109.722 -178.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -85.74 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.792 . . . . 1.3700000000000001 108.967 179.399 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.95 111.79 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.604 0.716 . . . . 1.1499999999999999 109.391 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.25 121.23 22.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.621 -0.674 . . . . 2.79 109.49 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.29 134.47 4.73 Favored Glycine 0 N--CA 1.501 3.022 0 N-CA-C 110.084 -1.207 . . . . 0.45000000000000001 110.084 179.512 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.94 -53.84 5.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -1.077 . . . . 3.1600000000000001 109.117 179.5 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.73 -42.63 79.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.297 -179.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.53 -44.63 90.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.4 -0.813 . . . . 3.54 108.897 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.63 -50.27 70.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.595 -0.691 . . . . 0.5 109.66 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.91 -39.87 63.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.263 -179.438 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.58 -45.54 92.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.13 -0.982 . . . . 1.1499999999999999 110.472 -179.277 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.61 -45.45 94.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.34000000000000002 109.564 -179.547 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.53 -39.61 58.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.148 -0.97 . . . . 2.9399999999999999 109.584 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.61 -53.54 56.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.74 109.865 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -60.39 -38.03 82.67 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.163 -0.96 . . . . 1.0700000000000001 108.829 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -59.06 -55.16 38.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 1.22 109.624 179.614 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.69 -32.67 74.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.72 109.877 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.63 64.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.192 -0.943 . . . . 1.0700000000000001 110.13 -179.407 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.63 -41.41 97.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 1.0800000000000001 109.744 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.01 -37.09 76.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.162 -0.961 . . . . 1.9099999999999999 109.54 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.07 -52.04 61.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.239 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.1 ttmp? -60.62 -42.36 96.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 2.1400000000000001 109.045 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.3 -39.17 75.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.715 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.98 66.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 1.3 109.839 -179.583 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -83.09 -11.68 57.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.998 . . . . 1.4199999999999999 109.447 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -0.26 9.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 1.5800000000000001 109.055 179.571 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.5 -72.72 1.29 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.629 -1.389 . . . . 1.54 109.629 -179.814 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.31 106.8 15.37 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.26 -1.141 . . . . 4.5499999999999998 109.413 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -51.51 153.21 4.01 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.866 . . . . 5.71 109.278 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.11 114.57 1.99 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.093 1.195 . . . . 6.0899999999999999 109.946 179.367 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 CA-C-O 117.947 -1.474 . . . . 7.2400000000000002 109.503 179.832 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.372 -0.603 . . . . 7.6699999999999999 109.372 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 52.3 tttt 62.69 -147.74 0.36 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.236 -0.915 . . . . 7.46 109.372 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.47 67.52 3.88 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.259 -0.9 . . . . 6.79 109.809 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -59.21 -151.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 121.632 1.555 . . . . 5.1500000000000004 109.951 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.99 103.81 9.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 4.6600000000000001 109.327 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.67 136.14 35.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.372 -0.83 . . . . 2.4700000000000002 109.706 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 158.1 53.32 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.36 -1.496 . . . . 1.0600000000000001 109.36 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.56 134.8 57.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -1.15 . . . . 1.6100000000000001 109.606 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.16 153.93 18.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.294 -0.879 . . . . 0.96999999999999997 109.45 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.16 -173.01 3.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.364 -0.835 . . . . 0.59999999999999998 109.251 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.9 p -150.85 153.17 34.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.3 -0.875 . . . . 1.1000000000000001 108.929 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.91 130.4 20.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 1.1000000000000001 109.63 -178.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.7 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 1.3600000000000001 108.946 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.99 111.95 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.52 -0.738 . . . . 1.1699999999999999 109.355 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.3 121.3 22.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.69 . . . . 2.79 109.461 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.12 134.54 4.77 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.08 -1.208 . . . . 0.47999999999999998 110.08 179.519 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -81.96 -53.9 5.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.409 -1.053 . . . . 3.2200000000000002 109.08 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.72 -42.63 79.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.245 -0.909 . . . . 2.21 109.299 -179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.54 -44.64 90.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.331 -0.855 . . . . 3.5499999999999998 108.82 179.447 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.61 -50.3 70.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.562 -0.711 . . . . 0.52000000000000002 109.639 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.82 -40.02 62.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 1.6799999999999999 110.241 -179.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.49 -45.65 92.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 110.441 -179.189 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.51 -45.46 94.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.958 . . . . 0.33000000000000002 109.562 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.46 -39.7 57.98 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.163 -0.961 . . . . 3.02 109.545 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.6 -53.54 56.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 1.75 109.877 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.32 -38.1 82.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 108.883 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.94 -55.2 38.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.791 . . . . 1.21 109.644 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -63.74 -32.62 74.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 1.6899999999999999 109.919 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.58 65.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 1.0600000000000001 110.163 -179.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.69 -41.3 97.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 1.0800000000000001 109.713 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -59.14 -37.01 76.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.9299999999999999 109.509 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.1 -52.03 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 1.1399999999999999 109.254 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.1 ttmp? -60.6 -42.32 96.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.845 . . . . 2.1899999999999999 109.142 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -57.39 -39.17 75.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.655 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.09 66.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -0.871 . . . . 1.3100000000000001 109.914 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.87 -12.04 57.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 1.3999999999999999 109.465 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.88 -0.41 9.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 1.5700000000000001 109.158 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -72.67 1.29 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.7 -1.36 . . . . 1.53 109.7 -179.811 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.26 106.82 15.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.281 -1.129 . . . . 4.5800000000000001 109.512 -179.551 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -51.48 153.27 3.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.327 -0.858 . . . . 5.6799999999999997 109.236 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -57.27 114.7 2.05 Favored 'Trans proline' 0 C--N 1.324 -0.734 0 C-N-CA 121.071 1.18 . . . . 6.0499999999999998 109.857 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.966 -1.463 . . . . 7.2000000000000002 109.508 179.89 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.352 -0.611 . . . . 9.2200000000000006 109.352 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.57 -147.76 0.37 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 8.5099999999999998 109.396 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.62 67.41 3.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 7.4199999999999999 109.767 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.07 -151.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.614 1.543 . . . . 5.0499999999999998 109.969 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.97 103.8 9.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.94 . . . . 5.1399999999999997 109.297 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.71 136.11 35.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.411 -0.806 . . . . 2.8500000000000001 109.717 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.19 158.11 53.31 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.33 -1.508 . . . . 1.27 109.33 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.66 134.76 57.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -1.209 . . . . 2.1099999999999999 109.591 -179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -93.26 153.92 18.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.188 -0.945 . . . . 1.01 109.358 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -138.14 -173.0 3.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.369 -0.832 . . . . 0.57999999999999996 109.242 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -150.79 153.27 35.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 1.1599999999999999 108.971 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.98 130.24 19.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 1.1699999999999999 109.665 -178.803 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.64 129.8 34.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.403 -0.811 . . . . 1.8100000000000001 108.977 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.96 111.85 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 109.37 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.26 121.26 22.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.681 . . . . 2.8199999999999998 109.506 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.23 134.56 4.76 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 110.097 -1.201 . . . . 0.45000000000000001 110.097 179.54 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -82.0 -53.86 5.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -1.088 . . . . 3.0800000000000001 109.08 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.67 -42.76 79.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 2.54 109.253 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.342 -0.849 . . . . 4.1100000000000003 108.829 179.559 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.62 -50.34 70.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.512 -0.742 . . . . 0.56999999999999995 109.563 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.93 -39.85 63.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.285 -0.884 . . . . 1.6599999999999999 110.227 -179.386 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.53 -45.64 92.02 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.136 -0.978 . . . . 1.29 110.464 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.48 -45.54 93.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.16 -0.963 . . . . 0.40000000000000002 109.559 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.5 -39.62 57.94 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.188 -0.945 . . . . 3.8500000000000001 109.562 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.64 -53.49 56.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 1.78 109.928 -179.67 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.24 -38.16 82.57 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.116 -0.99 . . . . 1.1699999999999999 108.87 179.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.96 -55.25 37.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.45 -0.781 . . . . 1.2 109.631 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.62 -32.71 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 2.1200000000000001 109.905 -179.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.59 65.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 110.128 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.66 -41.43 97.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 1.1399999999999999 109.694 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.97 -37.12 76.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 2.0899999999999999 109.552 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.07 -51.94 61.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 1.3799999999999999 109.209 -179.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.408 ' NZ ' ' CB ' ' C' ' 351' ' ' LYS . 3.1 ttmp? -60.69 -42.36 97.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 2.6800000000000002 109.084 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.3 -39.21 75.27 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.701 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -26.99 66.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 1.3 109.916 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -83.04 -11.75 57.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.123 -0.985 . . . . 1.8 109.48 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.1 -0.41 9.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.94 . . . . 1.47 109.097 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -72.67 1.29 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.652 -1.379 . . . . 1.6599999999999999 109.652 -179.799 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.24 106.78 15.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.233 -1.157 . . . . 4.7800000000000002 109.46 -179.46 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -51.5 153.28 3.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.898 . . . . 6.1900000000000004 109.25 -179.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -57.24 114.61 2.01 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.027 1.152 . . . . 6.1799999999999997 109.949 179.371 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 117.942 -1.477 . . . . 6.9000000000000004 109.506 179.883 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.399 -0.593 . . . . 7.6900000000000004 109.399 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.51 -147.73 0.37 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 7.4500000000000002 109.386 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.57 67.51 3.87 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 6.8399999999999999 109.742 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -59.14 -151.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.977 0 C-N-CA 121.589 1.526 . . . . 5.1200000000000001 109.967 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.98 103.82 9.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 4.6600000000000001 109.286 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.68 136.05 35.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.368 -0.832 . . . . 2.46 109.673 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 158.18 53.3 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.341 -1.504 . . . . 1.0800000000000001 109.341 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.61 134.84 57.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.177 . . . . 1.6699999999999999 109.646 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.2 153.84 18.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.232 -0.918 . . . . 1.01 109.417 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.13 -172.95 3.39 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.63 109.269 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -150.82 153.15 34.87 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 108.957 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.88 130.33 19.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.303 -0.873 . . . . 1.1000000000000001 109.784 -178.858 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.72 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 108.971 179.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.01 111.86 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.624 0.726 . . . . 1.1499999999999999 109.332 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.27 121.23 22.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.545 -0.722 . . . . 2.77 109.46 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.18 134.54 4.76 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 110.128 -1.189 . . . . 0.42999999999999999 110.128 179.515 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.95 -53.83 5.82 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.463 -1.022 . . . . 3.1200000000000001 109.173 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -56.77 -42.66 79.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.251 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.51 -44.63 90.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.353 -0.842 . . . . 3.5 108.866 179.492 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.55 -50.38 70.19 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.606 -0.684 . . . . 0.5 109.64 179.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.89 -39.94 63.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.845 . . . . 1.6899999999999999 110.253 -179.411 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -62.45 -45.64 92.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.162 -0.961 . . . . 1.1399999999999999 110.469 -179.278 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.5 -45.52 93.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.32000000000000001 109.554 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -51.51 -39.66 58.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.116 -0.99 . . . . 2.96 109.473 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.62 -53.49 56.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.27 -38.24 82.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 1.0800000000000001 108.833 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.91 -55.21 38.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.418 -0.801 . . . . 1.22 109.635 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -63.68 -32.67 74.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 1.73 109.927 -179.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.23 -52.67 64.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 110.179 -179.456 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.68 -41.38 97.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 1.1100000000000001 109.719 -179.567 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -58.98 -37.09 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.12 -0.988 . . . . 1.9099999999999999 109.514 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.15 -51.97 61.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.283 -0.885 . . . . 1.1699999999999999 109.248 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.62 -42.42 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.299 -0.876 . . . . 2.1499999999999999 109.057 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.21 -39.3 75.19 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.499 -0.751 . . . . 1.4399999999999999 109.679 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -26.95 66.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.3 109.906 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -83.22 -11.54 57.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.206 -0.934 . . . . 1.3999999999999999 109.362 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.33 -0.29 9.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 1.6000000000000001 108.972 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 -72.64 1.29 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.685 -1.366 . . . . 1.5 109.685 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.31 106.81 15.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 4.5499999999999998 109.421 -179.465 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -51.47 153.19 3.96 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 5.6699999999999999 109.284 -179.858 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.13 114.58 1.99 Allowed 'Trans proline' 0 C--N 1.324 -0.761 0 C-N-CA 121.078 1.185 . . . . 6.1200000000000001 109.946 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.985 -1.453 . . . . 7.2699999999999996 109.526 179.844 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.565 ' C ' ' H ' ' A' ' 321' ' ' LYS . 51.2 mtpt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 7.6600000000000001 109.181 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.08 -28.58 0.15 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.83 -0.544 . . . . 7.5099999999999998 110.151 -179.919 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 319' ' ' LYS . 15.3 mtpp 53.82 68.16 3.04 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.091 -1.005 . . . . 6.8099999999999996 109.538 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.87 12.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.812 1.675 . . . . 5.1500000000000004 110.307 -179.645 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' A' ' 321' ' ' LYS . 21.9 mt -80.8 99.58 8.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.854 -1.154 . . . . 4.7000000000000002 109.579 -179.882 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.29 -143.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.496 -0.752 . . . . 2.48 109.402 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 -173.46 8.29 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.85 -1.3 . . . . 1.0800000000000001 109.85 -179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.19 133.34 55.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.345 -1.091 . . . . 1.7 110.036 -179.807 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -95.71 160.31 14.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.302 -0.874 . . . . 1.04 109.244 179.403 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.2 -168.74 2.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.381 -0.824 . . . . 0.65000000000000002 109.526 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.17 151.69 32.27 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.56 -0.904 . . . . 1.1399999999999999 108.56 179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -144.82 136.85 25.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 1.0900000000000001 109.825 -178.816 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -85.11 130.31 34.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.327 -0.99 . . . . 1.3700000000000001 108.327 178.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.23 111.31 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 CA-C-O 121.669 0.747 . . . . 1.1499999999999999 109.394 -179.578 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.76 143.12 46.2 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.689 -0.632 . . . . 2.79 109.856 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.12 133.8 7.42 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.205 -1.158 . . . . 0.45000000000000001 110.205 179.462 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -80.89 -50.4 9.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.466 -1.02 . . . . 3.1600000000000001 109.599 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.83 -40.81 85.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.949 -1.094 . . . . 2.2200000000000002 109.071 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.2 -40.54 97.78 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.296 -0.878 . . . . 3.54 109.154 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.47 -55.81 27.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.628 -0.67 . . . . 0.5 109.872 -179.623 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.48 51.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 1.6599999999999999 109.809 -179.695 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -53.3 54.73 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.235 -0.915 . . . . 1.1499999999999999 110.172 -179.4 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.25 -44.08 97.83 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.074 -1.016 . . . . 0.34000000000000002 109.106 -179.663 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.44 -45.46 62.68 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.292 -0.88 . . . . 2.9399999999999999 109.525 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.81 -44.31 97.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.34 -0.85 . . . . 1.74 109.9 -179.732 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.37 -41.32 96.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 109.446 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -58.39 -52.79 64.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.22 109.458 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.98 -33.67 74.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 1.72 109.737 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.46 65.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 1.0700000000000001 109.996 -179.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.1 -44.22 97.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.171 -0.955 . . . . 1.0800000000000001 109.567 -179.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.26 -40.1 80.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.347 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.36 -37.75 88.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 109.157 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -41.18 98.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.904 0.859 . . . . 2.1400000000000001 108.769 179.518 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.78 -34.77 65.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.504 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -32.57 73.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 1.3 109.354 179.831 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -82.21 -5.12 58.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.313 -0.867 . . . . 1.4199999999999999 109.757 -179.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.19 -87.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.133 -0.98 . . . . 1.5800000000000001 109.82 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.89 77.1 0.05 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.815 -1.314 . . . . 1.54 109.815 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 355' ' ' ALA . 15.8 pttm -86.45 60.99 6.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -1.232 . . . . 4.5499999999999998 109.349 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.0 155.05 1.68 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 5.71 109.524 -178.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.49 164.08 7.72 Favored 'Trans proline' 0 N--CA 1.48 0.695 0 C-N-CA 121.31 1.34 . . . . 6.0899999999999999 110.284 179.35 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 CA-C-O 117.959 -1.467 . . . . 7.2400000000000002 109.51 179.522 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' B' ' 321' ' ' LYS . 51.3 mtpt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.091 -0.707 . . . . 7.6699999999999999 109.091 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.06 -28.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.785 -0.572 . . . . 7.46 110.105 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' B' ' 323' ' ' LEU . 15.4 mtpp 53.76 68.21 3.01 Favored Pre-proline 0 N--CA 1.488 1.452 0 O-C-N 121.122 -0.987 . . . . 6.79 109.499 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.75 12.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.803 1.669 . . . . 5.1500000000000004 110.37 -179.759 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' B' ' 321' ' ' LYS . 22.0 mt -80.84 99.66 8.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 4.6600000000000001 109.564 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.31 -143.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.543 -0.723 . . . . 2.4700000000000002 109.445 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 -173.41 7.95 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.924 -1.27 . . . . 1.0600000000000001 109.924 -179.955 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.31 133.36 55.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -1.034 . . . . 1.6100000000000001 110.076 -179.84 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -95.66 160.38 14.53 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.274 -0.891 . . . . 0.96999999999999997 109.284 179.391 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -139.15 -168.71 2.5 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.406 -0.809 . . . . 0.59999999999999998 109.463 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.3 151.55 31.94 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.586 -0.894 . . . . 1.1000000000000001 108.586 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.75 136.96 26.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.277 -0.889 . . . . 1.1000000000000001 109.833 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.2 130.29 34.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.357 -0.979 . . . . 1.3600000000000001 108.357 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.24 111.28 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.697 0.761 . . . . 1.1699999999999999 109.389 -179.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.78 143.17 46.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.123 -0.631 . . . . 2.79 109.894 -179.725 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.14 133.9 7.47 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.193 -1.163 . . . . 0.47999999999999998 110.193 179.5 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.0 -50.39 9.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.484 -1.009 . . . . 3.2200000000000002 109.62 179.792 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.74 -40.97 85.36 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.918 -1.114 . . . . 2.21 109.052 179.705 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.6 98.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.29 -0.881 . . . . 3.5499999999999998 109.163 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -55.52 -55.75 28.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.615 -0.678 . . . . 0.52000000000000002 109.918 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.81 -37.48 51.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 1.6799999999999999 109.779 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.33 -53.3 54.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 110.185 -179.396 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.24 -44.02 97.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.15 -0.969 . . . . 0.33000000000000002 109.117 -179.661 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.57 -45.38 63.07 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.302 -0.874 . . . . 3.02 109.475 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.83 -44.32 97.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 1.75 109.876 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.44 -41.32 97.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.99 . . . . 1.0700000000000001 109.387 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -58.34 -52.76 64.24 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.314 -0.866 . . . . 1.21 109.524 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.61 74.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.681 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.48 65.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.0600000000000001 109.998 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.94 -44.24 97.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 1.0800000000000001 109.623 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.3 -40.23 81.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 1.9299999999999999 109.237 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.17 -37.66 88.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.281 -0.887 . . . . 1.1399999999999999 109.176 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.75 -41.37 99.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.842 . . . . 2.1899999999999999 108.799 179.379 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.76 -34.63 65.41 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.642 -0.662 . . . . 1.4299999999999999 109.507 179.868 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -32.58 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.42 -0.8 . . . . 1.3100000000000001 109.362 179.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -82.23 -5.06 58.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 1.3999999999999999 109.754 -179.933 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.25 -87.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.215 -0.928 . . . . 1.5700000000000001 109.824 -179.786 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.92 77.3 0.05 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.802 -1.319 . . . . 1.53 109.802 -179.711 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' B' ' 355' ' ' ALA . 15.8 pttm -86.84 61.19 6.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.143 -1.21 . . . . 4.5800000000000001 109.259 179.85 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.12 155.06 1.74 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.475 -0.766 . . . . 5.6799999999999997 109.398 -178.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.56 164.07 7.88 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 121.304 1.336 . . . . 6.0499999999999998 110.328 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.946 -1.474 . . . . 7.2000000000000002 109.459 179.531 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.559 ' C ' ' H ' ' C' ' 321' ' ' LYS . 51.2 mtpt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.192 -0.67 . . . . 9.2200000000000006 109.192 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.04 -28.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.754 -0.591 . . . . 8.5099999999999998 110.157 -179.919 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' C' ' 319' ' ' LYS . 15.4 mtpp 53.79 68.17 3.03 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.134 -0.979 . . . . 7.4199999999999999 109.521 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.83 12.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.323 -0.786 0 C-N-CA 121.811 1.674 . . . . 5.0499999999999998 110.371 -179.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' C' ' 321' ' ' LYS . 22.0 mt -80.8 99.53 8.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.868 -1.145 . . . . 5.1399999999999997 109.59 -179.85 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -82.18 -143.42 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.512 -0.742 . . . . 2.8500000000000001 109.543 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.64 -173.35 8.19 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.886 -1.286 . . . . 1.27 109.886 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.27 133.39 55.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.076 . . . . 2.1099999999999999 110.088 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -95.83 160.29 14.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 1.01 109.303 179.385 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -139.1 -168.8 2.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.398 -0.814 . . . . 0.57999999999999996 109.458 -179.597 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -151.17 151.62 32.17 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.555 -0.905 . . . . 1.1599999999999999 108.555 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.73 137.05 26.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 1.1699999999999999 109.734 -178.785 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.29 34.63 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 1.8100000000000001 108.252 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.22 111.32 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 121.617 0.722 . . . . 1.1299999999999999 109.323 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.81 143.16 46.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.685 -0.634 . . . . 2.8199999999999998 109.837 -179.762 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.08 134.15 7.55 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 110.184 -1.166 . . . . 0.45000000000000001 110.184 179.481 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -81.2 -50.39 9.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.507 -0.996 . . . . 3.0800000000000001 109.605 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.72 -40.91 85.12 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.909 -1.119 . . . . 2.54 109.082 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.16 -40.61 98.03 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.327 -0.858 . . . . 4.1100000000000003 109.211 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.39 -55.83 27.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.642 -0.661 . . . . 0.56999999999999995 109.923 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.79 -37.52 51.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -0.897 . . . . 1.6599999999999999 109.752 -179.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.3 -53.38 53.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.142 -0.974 . . . . 1.29 110.136 -179.384 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.2 -44.12 97.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.16 -179.657 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.45 -45.45 62.71 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.354 -0.841 . . . . 3.8500000000000001 109.503 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.7 -44.52 96.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.78 109.9 -179.776 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.32 -41.35 96.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.141 -0.974 . . . . 1.1699999999999999 109.385 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.291 -0.881 . . . . 1.2 109.489 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.67 74.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 2.1200000000000001 109.651 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.52 65.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.324 -0.86 . . . . 1.0700000000000001 109.988 -179.455 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.94 -44.24 97.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 1.1399999999999999 109.6 -179.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.25 -40.17 81.09 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.323 -0.861 . . . . 2.0899999999999999 109.297 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -37.74 88.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 1.3799999999999999 109.09 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.66 -41.36 99.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.842 . . . . 2.6800000000000002 108.827 179.357 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.7 -34.72 65.34 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.548 -0.72 . . . . 1.3400000000000001 109.549 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.56 73.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.314 -0.866 . . . . 1.3 109.393 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -82.15 -5.23 58.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 1.8 109.783 -179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.17 -87.0 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.956 . . . . 1.47 109.845 -179.734 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.93 77.05 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.86 -1.296 . . . . 1.6599999999999999 109.86 -179.68 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' C' ' 355' ' ' ALA . 15.7 pttm -86.49 61.03 6.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.1 -1.235 . . . . 4.7800000000000002 109.263 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.07 155.08 1.71 Allowed Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 6.1900000000000004 109.484 -178.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -57.44 164.18 7.48 Favored 'Trans proline' 0 N--CA 1.48 0.703 0 C-N-CA 121.291 1.328 . . . . 6.1799999999999997 110.36 179.311 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.948 -1.473 . . . . 6.9000000000000004 109.497 179.53 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' D' ' 321' ' ' LYS . 51.1 mtpt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.156 -0.683 . . . . 7.6900000000000004 109.156 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.09 -28.65 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.811 -0.556 . . . . 7.4500000000000002 110.128 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' D' ' 323' ' ' LEU . 15.4 mtpp 53.79 68.18 3.02 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.231 -0.918 . . . . 6.8399999999999999 109.507 -179.809 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.84 12.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 121.789 1.66 . . . . 5.1200000000000001 110.397 -179.674 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' D' ' 321' ' ' LYS . 21.8 mt -80.76 99.56 8.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.904 -1.122 . . . . 4.6600000000000001 109.628 -179.886 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.29 -143.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.499 -0.751 . . . . 2.46 109.463 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 -173.34 8.17 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.835 -1.306 . . . . 1.0800000000000001 109.835 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.34 133.45 55.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -1.087 . . . . 1.6699999999999999 110.023 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -95.73 160.33 14.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.307 -0.87 . . . . 1.01 109.296 179.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.21 -168.79 2.52 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.375 -0.828 . . . . 0.63 109.508 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.2 p -151.27 151.45 31.84 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.555 -0.906 . . . . 1.1299999999999999 108.555 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.61 137.02 26.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.298 -0.876 . . . . 1.1000000000000001 109.828 -178.743 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.28 34.63 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.331 -0.989 . . . . 1.3700000000000001 108.331 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.636 0.731 . . . . 1.1499999999999999 109.312 -179.527 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.91 143.22 45.86 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.691 -0.63 . . . . 2.77 109.802 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.15 133.95 7.49 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.173 -1.171 . . . . 0.42999999999999999 110.173 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.08 -50.33 9.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -1.053 . . . . 3.1200000000000001 109.594 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.79 -40.9 85.39 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.87 -1.143 . . . . 2.2200000000000002 109.073 179.691 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.63 98.2 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.306 -0.872 . . . . 3.5 109.221 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.42 -55.8 27.54 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.683 -0.636 . . . . 0.5 109.928 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.52 51.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.325 -0.859 . . . . 1.6899999999999999 109.758 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.33 -53.26 55.46 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 110.183 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.35 -43.96 97.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.32000000000000001 109.105 -179.655 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.54 -45.46 62.99 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.36 -0.837 . . . . 2.96 109.483 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.7 -44.43 96.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 1.75 109.914 -179.761 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.4 -41.3 96.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.112 -0.993 . . . . 1.0800000000000001 109.406 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.34 -52.8 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.266 -0.897 . . . . 1.22 109.487 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.15 -33.56 74.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 1.73 109.711 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.36 65.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 109.999 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.13 -44.13 97.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.217 -0.927 . . . . 1.1100000000000001 109.532 -179.774 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.32 -40.16 81.33 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.276 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.35 -37.7 88.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 109.163 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.6 -41.4 98.95 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.957 0.884 . . . . 2.1499999999999999 108.785 179.429 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.67 -34.8 65.33 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.483 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.55 73.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.349 -0.845 . . . . 1.3 109.324 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -82.18 -5.14 58.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.846 . . . . 1.3999999999999999 109.771 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.1 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.186 -0.946 . . . . 1.6000000000000001 109.828 -179.831 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.79 77.02 0.05 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.839 -1.304 . . . . 1.5 109.839 -179.648 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' D' ' 355' ' ' ALA . 15.7 pttm -86.53 61.04 6.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -1.194 . . . . 4.5499999999999998 109.285 179.864 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.06 155.07 1.71 Allowed Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.807 . . . . 5.6699999999999999 109.539 -179.003 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -57.52 164.18 7.64 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.363 1.375 . . . . 6.1200000000000001 110.279 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.946 -1.475 . . . . 7.2699999999999996 109.452 179.607 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.275 0.56 . . . . 7.6600000000000001 109.538 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 53.57 50.57 16.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 7.5099999999999998 109.613 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.537 ' C ' ' H ' ' A' ' 323' ' ' LEU . 66.6 mttm 51.73 78.75 0.38 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 6.8099999999999996 109.553 179.684 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.03 7.79 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.332 1.355 . . . . 5.1500000000000004 110.49 -179.498 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 321' ' ' LYS . 10.1 mt -80.49 14.0 2.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.137 -0.977 . . . . 4.7000000000000002 109.031 179.605 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.33 -112.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.579 -0.701 . . . . 2.48 110.067 -179.476 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 136.17 29.18 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.154 -1.179 . . . . 1.0800000000000001 110.154 -179.396 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 143.05 58.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.749 -0.854 . . . . 1.7 109.802 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.47 152.26 18.57 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.254 -0.904 . . . . 1.04 109.178 179.437 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.86 -175.16 3.87 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.884 . . . . 0.65000000000000002 109.416 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -150.79 149.52 29.84 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.219 -0.926 . . . . 1.1399999999999999 108.712 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.53 133.16 25.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.243 -0.911 . . . . 1.0900000000000001 109.78 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.46 128.5 34.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.455 -0.778 . . . . 1.3700000000000001 108.93 179.402 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.92 112.42 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.508 -0.745 . . . . 1.1499999999999999 109.125 -179.772 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -75.72 151.3 37.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 2.79 109.651 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.57 9.67 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.115 -1.194 . . . . 0.45000000000000001 110.115 179.523 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -83.14 -56.54 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.43 -1.041 . . . . 3.1600000000000001 109.56 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -57.91 -38.18 75.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.2200000000000002 109.493 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.32 -44.1 97.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.21 -0.932 . . . . 3.54 109.067 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.22 -53.78 53.13 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.595 -0.691 . . . . 0.5 109.551 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.78 56.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.431 -0.793 . . . . 1.6599999999999999 110.063 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.13 -49.16 76.98 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.199 -0.938 . . . . 1.1499999999999999 110.167 -179.428 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.18 -45.41 94.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 0.34000000000000002 109.17 -179.835 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.2 -42.22 60.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 2.9399999999999999 109.365 179.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.69 -50.25 74.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.74 109.652 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.97 -40.78 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 108.633 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.12 -54.32 48.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.539 -0.726 . . . . 1.22 109.649 179.676 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -61.68 -34.57 75.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.383 -0.823 . . . . 1.72 109.439 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -51.67 68.75 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.356 -0.84 . . . . 1.0700000000000001 109.639 -179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.45 -47.24 86.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -0.989 . . . . 1.0800000000000001 108.957 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.22 -25.69 61.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 108.609 179.474 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -58.2 6.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.463 -0.939 . . . . 1.1499999999999999 108.463 179.624 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.91 89.53 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.864 0.84 . . . . 2.1400000000000001 108.779 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.75 -33.45 70.28 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.376 0.608 . . . . 1.4299999999999999 109.533 179.391 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.19 88.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.207 -0.933 . . . . 1.3 109.763 -179.673 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.37 -8.98 59.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.199 -0.938 . . . . 1.4199999999999999 109.52 -179.926 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.74 -2.22 16.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 1.5800000000000001 109.357 179.782 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 -58.63 2.05 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.66 -1.376 . . . . 1.54 109.66 -179.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.82 106.25 16.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.223 -1.163 . . . . 4.5499999999999998 109.622 -179.636 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 360' ' ' GLY . 1.2 mt-10 -56.9 -45.38 99.96 Favored Pre-proline 0 N--CA 1.488 1.447 0 O-C-N 121.194 -0.941 . . . . 5.71 110.43 179.54 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 358' ' ' GLU . 1.9 Cg_endo -66.24 7.53 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 N-CA-C 109.756 -0.902 . . . . 6.0899999999999999 109.756 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.949 -1.473 . . . . 7.2400000000000002 109.623 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.25 0.548 . . . . 7.6699999999999999 109.533 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 53.59 50.59 16.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 7.46 109.595 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' B' ' 323' ' ' LEU . 66.6 mttm 51.75 78.75 0.38 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 6.79 109.561 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' B' ' 324' ' ' ASP . 2.9 Cg_endo -63.05 7.75 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.302 1.335 . . . . 5.1500000000000004 110.471 -179.421 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' B' ' 321' ' ' LYS . 10.2 mt -80.45 13.94 2.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 4.6600000000000001 108.988 179.701 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 322' ' ' PRO . 69.4 m-20 -79.36 -112.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.643 -0.66 . . . . 2.4700000000000002 110.071 -179.433 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 136.18 29.32 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.113 -1.195 . . . . 1.0600000000000001 110.113 -179.381 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.75 143.02 58.18 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.612 -0.934 . . . . 1.6100000000000001 109.769 179.74 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.53 152.3 18.55 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.164 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.8 -175.14 3.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.329 -0.857 . . . . 0.59999999999999998 109.434 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -150.78 149.4 29.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.28 -0.888 . . . . 1.1000000000000001 108.791 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.6 tp -142.39 133.37 25.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 1.1000000000000001 109.831 -178.66 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.58 128.44 34.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.385 -0.822 . . . . 1.3600000000000001 108.934 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.89 112.38 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.763 . . . . 1.1699999999999999 109.143 -179.754 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.75 151.37 37.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.403 -0.811 . . . . 2.79 109.637 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.61 139.54 9.61 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.091 -1.203 . . . . 0.47999999999999998 110.091 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.14 -56.59 3.7 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.472 -1.016 . . . . 3.2200000000000002 109.46 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.95 -38.19 75.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 2.21 109.466 -179.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.1 97.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.233 -0.917 . . . . 3.5499999999999998 109.029 179.795 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -56.21 -53.7 54.01 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.577 -0.702 . . . . 0.52000000000000002 109.681 179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.74 -38.8 56.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.0 -179.733 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.17 -49.17 76.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.168 -0.958 . . . . 1.1499999999999999 110.147 -179.443 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.11 -45.38 94.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 0.33000000000000002 109.226 -179.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.29 60.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 3.02 109.281 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.53 -50.29 74.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.297 -0.877 . . . . 1.75 109.656 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -40.78 94.73 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.638 -0.875 . . . . 1.0700000000000001 108.638 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.21 -54.27 48.81 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.468 -0.77 . . . . 1.21 109.62 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.65 -34.74 76.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.378 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.06 -51.63 68.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.403 -0.811 . . . . 1.0600000000000001 109.665 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.47 -47.0 87.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 109.001 179.567 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -25.56 62.58 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.608 -0.886 . . . . 1.9299999999999999 108.608 179.532 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -58.25 6.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.47 -0.937 . . . . 1.1399999999999999 108.47 179.562 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.94 89.63 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.806 -0.813 . . . . 2.1899999999999999 108.806 -179.675 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.77 -33.45 70.31 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 109.476 -0.565 . . . . 1.4299999999999999 109.476 179.371 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.2 88.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.863 . . . . 1.3100000000000001 109.807 -179.682 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.41 -8.97 59.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 1.3999999999999999 109.49 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -2.33 16.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 1.5700000000000001 109.388 179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 -58.48 2.07 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.776 -1.33 . . . . 1.53 109.776 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.89 106.21 16.24 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -1.118 . . . . 4.5800000000000001 109.673 -179.755 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 360' ' ' GLY . 1.2 mt-10 -56.82 -45.44 99.95 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.167 -0.958 . . . . 5.6799999999999997 110.447 179.513 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' B' ' 358' ' ' GLU . 1.8 Cg_endo -66.16 7.45 0.37 Allowed 'Trans proline' 0 CA--C 1.537 0.637 0 N-CA-C 109.81 -0.881 . . . . 6.0499999999999998 109.81 -179.861 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.989 -1.45 . . . . 7.2000000000000002 109.602 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.525 -0.546 . . . . 9.2200000000000006 109.525 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 56.7 mttp 53.62 50.58 16.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 8.5099999999999998 109.589 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.541 ' C ' ' H ' ' C' ' 323' ' ' LEU . 66.6 mttm 51.67 78.82 0.38 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 7.4199999999999999 109.564 179.714 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.09 7.8 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.317 1.344 . . . . 5.0499999999999998 110.497 -179.491 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' C' ' 321' ' ' LYS . 10.2 mt -80.51 14.0 2.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.087 -1.008 . . . . 5.1399999999999997 108.936 179.671 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.36 -112.77 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.636 -0.665 . . . . 2.8500000000000001 110.064 -179.501 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 136.1 29.18 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.191 -1.163 . . . . 1.27 110.191 -179.363 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.65 143.04 58.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.678 -0.895 . . . . 2.1099999999999999 109.802 179.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.56 152.12 18.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.248 -0.908 . . . . 1.01 109.193 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.66 -175.06 3.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.354 -0.841 . . . . 0.57999999999999996 109.395 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.73 149.46 29.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.243 -0.91 . . . . 1.1599999999999999 108.742 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.0 tp -142.5 133.33 25.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.22 -0.925 . . . . 1.1699999999999999 109.772 -178.726 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.58 128.49 34.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 1.8100000000000001 108.954 179.38 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.96 112.42 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.579 -0.7 . . . . 1.1299999999999999 109.115 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.372 -0.83 . . . . 2.8199999999999998 109.57 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.54 9.6 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.148 -1.181 . . . . 0.45000000000000001 110.148 179.558 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -83.09 -56.52 3.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.458 -1.024 . . . . 3.0800000000000001 109.602 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -58.0 -38.21 75.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 2.54 109.442 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.01 97.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.265 -0.897 . . . . 4.1100000000000003 109.118 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.3 -53.69 54.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.527 -0.733 . . . . 0.56999999999999995 109.561 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.82 56.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 1.6599999999999999 110.059 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.2 -49.19 76.76 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 1.29 110.081 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.11 -45.29 95.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.142 -0.974 . . . . 0.40000000000000002 109.323 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.3 -42.16 60.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.22 -0.925 . . . . 3.8500000000000001 109.367 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.74 -50.14 75.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 1.78 109.655 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.04 -40.72 94.71 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.19 -0.944 . . . . 1.1699999999999999 108.636 179.652 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.26 -54.2 49.53 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.505 -0.747 . . . . 1.2 109.659 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.63 -34.78 76.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.408 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.66 68.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.317 -0.865 . . . . 1.0700000000000001 109.621 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.51 -46.9 88.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 1.1399999999999999 109.044 179.646 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.57 -25.59 62.7 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.542 -0.911 . . . . 2.0899999999999999 108.542 179.524 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -58.26 6.66 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.43 -0.952 . . . . 1.3799999999999999 108.43 179.636 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.64 -40.96 89.39 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.852 0.834 . . . . 2.6800000000000002 108.81 -179.669 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.76 -33.43 70.27 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.805 -0.559 . . . . 1.3400000000000001 109.517 179.421 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.13 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 1.3 109.781 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.46 -8.89 59.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.8 109.494 -179.89 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.27 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 1.47 109.319 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 -58.62 2.05 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.702 -1.359 . . . . 1.6599999999999999 109.702 -179.88 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.81 106.2 16.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.229 -1.159 . . . . 4.7800000000000002 109.65 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' C' ' 359' ' ' PRO . 1.2 mt-10 -56.87 -45.46 99.95 Favored Pre-proline 0 N--CA 1.488 1.429 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 110.383 179.55 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' C' ' 358' ' ' GLU . 1.9 Cg_endo -66.23 7.6 0.36 Allowed 'Trans proline' 0 C--O 1.214 -0.683 0 N-CA-C 109.838 -0.87 . . . . 6.1799999999999997 109.838 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.403 0 CA-C-O 118.04 -1.422 . . . . 6.9000000000000004 109.685 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.303 0.573 . . . . 7.6900000000000004 109.523 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 53.58 50.55 16.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -0.88 . . . . 7.4500000000000002 109.621 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' D' ' 323' ' ' LEU . 66.6 mttm 51.65 78.85 0.38 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 6.8399999999999999 109.535 179.752 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.405 ' C ' ' H ' ' D' ' 324' ' ' ASP . 2.9 Cg_endo -63.08 7.76 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.921 0 C-N-CA 121.364 1.376 . . . . 5.1200000000000001 110.426 -179.493 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.544 ' H ' ' C ' ' D' ' 321' ' ' LYS . 10.2 mt -80.47 14.07 2.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.047 -1.033 . . . . 4.6600000000000001 108.999 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' D' ' 322' ' ' PRO . 69.0 m-20 -79.35 -112.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.677 -0.64 . . . . 2.46 110.067 -179.518 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 136.2 29.51 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.182 -1.167 . . . . 1.0800000000000001 110.182 -179.442 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -63.83 143.11 58.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.672 -0.899 . . . . 1.6699999999999999 109.746 179.785 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -95.67 152.31 18.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 1.01 109.119 179.487 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.76 -175.13 3.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.275 -0.891 . . . . 0.63 109.404 -179.866 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.8 149.45 29.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 1.1299999999999999 108.755 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.41 133.36 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -0.864 . . . . 1.1000000000000001 109.8 -178.654 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.57 128.39 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.372 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.84 112.36 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.577 -0.702 . . . . 1.1499999999999999 109.159 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.76 151.38 37.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 2.77 109.575 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.58 9.62 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.143 -1.183 . . . . 0.42999999999999999 110.143 179.56 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.17 -56.55 3.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.483 -1.01 . . . . 3.1200000000000001 109.541 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.94 -38.24 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 2.2200000000000002 109.516 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.31 -44.03 97.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.291 -0.881 . . . . 3.5 109.059 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.24 -53.74 53.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.602 -0.686 . . . . 0.5 109.626 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.69 -38.84 56.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 1.6899999999999999 110.007 -179.692 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.15 -49.18 76.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.147 -0.971 . . . . 1.1399999999999999 110.124 -179.408 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.18 -45.29 95.21 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.207 -0.933 . . . . 0.32000000000000001 109.237 -179.871 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.24 -42.28 60.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 2.96 109.343 179.69 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.66 -50.26 74.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.89 . . . . 1.75 109.572 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.89 -40.81 94.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.977 . . . . 1.0800000000000001 108.693 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.19 -54.31 48.41 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.497 -0.752 . . . . 1.22 109.667 179.651 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.64 -34.55 75.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 1.73 109.404 -179.918 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.67 68.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.625 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.5 -47.29 86.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.146 -0.971 . . . . 1.1100000000000001 108.911 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.19 -25.66 61.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.645 -0.872 . . . . 1.9099999999999999 108.645 179.49 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -58.18 6.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.469 -0.938 . . . . 1.1699999999999999 108.469 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.67 -40.98 89.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.866 0.841 . . . . 2.1499999999999999 108.732 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.7 -33.35 70.09 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.323 0.582 . . . . 1.4399999999999999 109.537 179.408 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 1.3 109.694 -179.617 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.28 -9.09 59.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 1.3999999999999999 109.535 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.54 -2.4 16.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.918 . . . . 1.6000000000000001 109.406 179.76 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 -58.63 2.05 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.667 -1.373 . . . . 1.5 109.667 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.84 106.22 16.2 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.244 -1.151 . . . . 4.5499999999999998 109.693 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' D' ' 360' ' ' GLY . 1.2 mt-10 -56.84 -45.38 99.96 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.228 -0.92 . . . . 5.6699999999999999 110.463 179.544 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -66.3 7.62 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 109.746 -0.906 . . . . 6.1200000000000001 109.746 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.989 -1.451 . . . . 7.2699999999999996 109.693 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.458 ' H1 ' ' H ' ' A' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.47 -0.567 . . . . 7.6600000000000001 109.47 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.458 ' H ' ' H1 ' ' A' ' 319' ' ' LYS . 79.8 mttt 57.11 162.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 7.5099999999999998 109.582 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 322' ' ' PRO . 81.8 tttt 55.96 73.9 0.78 Allowed Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 6.8099999999999996 109.558 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.6 Cg_exo -58.29 -141.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.588 1.526 . . . . 5.1500000000000004 110.012 -179.758 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.95 135.94 41.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.725 -1.235 . . . . 4.7000000000000002 109.3 -179.589 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.41 12.97 2.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.327 -0.858 . . . . 2.48 109.907 -179.442 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.71 138.16 35.21 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.364 -1.495 . . . . 1.0800000000000001 109.364 -179.819 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.31 128.05 34.47 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.563 -0.963 . . . . 1.7 109.707 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -93.44 157.29 16.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 1.04 109.246 179.742 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.49 -170.61 2.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.695 -179.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.49 149.59 31.01 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.534 -0.913 . . . . 1.1399999999999999 108.534 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.26 135.8 29.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.28 -0.888 . . . . 1.0900000000000001 109.628 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.34 131.37 34.41 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.58 -0.896 . . . . 1.3700000000000001 108.58 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.39 112.35 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.497 -0.752 . . . . 1.1499999999999999 109.533 -179.462 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -74.99 138.78 42.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.635 -0.666 . . . . 2.79 109.314 179.524 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.04 135.22 8.82 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.716 -1.354 . . . . 0.45000000000000001 109.716 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.04 -45.76 11.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.308 -1.113 . . . . 3.1600000000000001 109.536 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.74 -42.72 93.82 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.18 -0.95 . . . . 2.2200000000000002 109.656 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.461 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -66.46 -37.36 84.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.154 -0.966 . . . . 3.54 109.662 -179.751 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.88 -52.36 60.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.437 -0.789 . . . . 0.5 109.445 -179.846 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.77 -35.61 63.97 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.575 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.28 -53.17 53.11 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 1.1499999999999999 110.515 -179.341 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.057 -1.027 . . . . 0.34000000000000002 109.046 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.12 -45.87 61.71 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.286 -0.884 . . . . 2.9399999999999999 109.408 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.48 -45.88 92.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 1.74 109.713 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.1 -42.46 98.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.895 . . . . 1.0700000000000001 109.267 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.65 -50.83 72.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 1.22 109.41 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.49 -35.93 82.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.72 109.711 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.11 26.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 109.973 -179.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.93 -42.3 97.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.96 . . . . 1.0800000000000001 109.371 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.56 -36.25 78.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 1.9099999999999999 109.258 179.493 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.65 -49.89 71.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 109.103 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -63.54 -49.13 74.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.377 -0.827 . . . . 2.1400000000000001 108.852 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.14 -35.04 70.94 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.713 -0.617 . . . . 1.4299999999999999 109.346 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.79 66.25 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 1.3 109.198 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.76 -15.5 48.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 1.4199999999999999 109.22 179.797 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.7 -13.52 60.99 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.336 -0.852 . . . . 1.5800000000000001 109.313 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -13.41 70.09 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.374 -1.49 . . . . 1.54 109.374 179.882 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.41 129.07 35.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.332 -1.099 . . . . 4.5499999999999998 109.15 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' A' ' 360' ' ' GLY . 53.1 mt-10 -51.04 149.14 6.91 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 5.71 109.09 -179.763 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.65 3.64 0.26 Allowed 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 120.904 1.069 . . . . 6.0899999999999999 110.099 179.425 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.486 -1.446 . . . . 7.2400000000000002 109.486 -179.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.444 ' H1 ' ' H ' ' B' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.501 -0.555 . . . . 7.6699999999999999 109.501 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.444 ' H ' ' H1 ' ' B' ' 319' ' ' LYS . 79.8 mttt 57.03 162.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.866 . . . . 7.46 109.592 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 322' ' ' PRO . 81.9 tttt 55.93 73.97 0.77 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 6.79 109.535 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' B' ' 321' ' ' LYS . 5.2 Cg_exo -58.25 -141.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.662 1.574 . . . . 5.1500000000000004 110.027 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 31.7 mt -74.84 136.05 41.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.749 -1.22 . . . . 4.6600000000000001 109.337 -179.688 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.49 12.63 2.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.372 -0.83 . . . . 2.4700000000000002 109.902 -179.504 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.05 138.07 36.63 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.458 -1.457 . . . . 1.0600000000000001 109.458 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.38 128.04 34.4 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.568 -0.96 . . . . 1.6100000000000001 109.792 -179.908 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -93.44 157.24 16.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.96999999999999997 109.344 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.47 -170.64 2.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.873 . . . . 0.59999999999999998 109.715 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.57 149.47 30.75 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.5 -0.926 . . . . 1.1000000000000001 108.5 -179.979 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -142.17 135.86 29.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.695 -178.633 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.36 131.45 34.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.522 -0.918 . . . . 1.3600000000000001 108.522 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 112.24 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.389 -0.819 . . . . 1.1699999999999999 109.563 -179.477 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.02 138.75 42.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.657 -0.652 . . . . 2.79 109.354 179.532 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.16 8.8 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.748 -1.341 . . . . 0.47999999999999998 109.748 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.13 -45.54 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.276 -1.132 . . . . 3.2200000000000002 109.597 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.89 -42.7 94.38 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.204 -0.935 . . . . 2.21 109.587 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.454 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.2 ttm-85 -66.41 -37.35 85.02 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.203 -0.935 . . . . 3.5499999999999998 109.696 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -53.87 -52.4 60.58 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.52000000000000002 109.497 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.71 -35.61 63.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.619 179.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.24 -53.18 53.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 1.1499999999999999 110.488 -179.35 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.21 -43.36 96.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.041 -1.037 . . . . 0.33000000000000002 108.989 -179.652 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.17 -45.93 61.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 3.02 109.355 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.47 -45.78 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -0.913 . . . . 1.75 109.782 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.09 -42.47 98.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 109.243 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.66 -50.88 72.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.213 -0.929 . . . . 1.21 109.439 179.872 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.41 -35.98 82.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 109.725 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.01 27.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 109.973 -179.574 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.13 -42.17 98.05 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -0.946 . . . . 1.0800000000000001 109.304 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.63 -36.2 78.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.239 -0.913 . . . . 1.9299999999999999 109.255 179.497 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.71 -49.87 71.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.34 -0.85 . . . . 1.1399999999999999 109.107 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.58 -49.04 74.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.359 -0.838 . . . . 2.1899999999999999 108.851 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.25 -35.03 71.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.299 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -24.72 66.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 1.3100000000000001 109.185 179.879 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -83.69 -15.5 48.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 1.3999999999999999 109.302 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -13.42 60.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 1.5700000000000001 109.332 179.874 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -13.44 70.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.357 -1.497 . . . . 1.53 109.357 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.48 129.09 35.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.258 -1.142 . . . . 4.5800000000000001 109.144 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' B' ' 360' ' ' GLY . 53.1 mt-10 -50.98 149.12 6.76 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.191 -0.943 . . . . 5.6799999999999997 109.085 -179.748 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -60.69 3.69 0.26 Allowed 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 121.003 1.136 . . . . 6.0499999999999998 109.989 179.435 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.004 -1.442 . . . . 7.2000000000000002 109.558 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' C' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.497 -0.557 . . . . 9.2200000000000006 109.497 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' C' ' 319' ' ' LYS . 79.7 mttt 57.09 162.66 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.445 -0.784 . . . . 8.5099999999999998 109.605 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' C' ' 322' ' ' PRO . 81.9 tttt 55.86 74.0 0.77 Allowed Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.271 -0.893 . . . . 7.4199999999999999 109.6 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' C' ' 321' ' ' LYS . 5.2 Cg_exo -58.22 -141.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.614 1.542 . . . . 5.0499999999999998 110.017 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.83 136.02 41.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.744 -1.222 . . . . 5.1399999999999997 109.277 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.56 12.88 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.411 -0.806 . . . . 2.8500000000000001 109.857 -179.482 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.39 138.22 36.01 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.42 -1.472 . . . . 1.27 109.42 -179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.44 128.02 34.28 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.463 -1.022 . . . . 2.1099999999999999 109.656 -179.798 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 157.3 16.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.256 -0.903 . . . . 1.01 109.292 179.692 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.43 -170.6 2.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.27 -0.894 . . . . 0.57999999999999996 109.651 -179.501 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -149.59 149.6 30.94 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.472 -0.936 . . . . 1.1599999999999999 108.472 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.24 135.73 29.14 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.7 -178.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.24 131.45 34.42 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.588 -0.893 . . . . 1.8100000000000001 108.588 179.157 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.45 112.29 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 121.635 0.731 . . . . 1.1299999999999999 109.548 -179.456 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.05 138.84 42.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.65 -0.656 . . . . 2.8199999999999998 109.338 179.559 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.07 135.21 8.82 Favored Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.673 -1.371 . . . . 0.45000000000000001 109.673 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -85.13 -45.61 11.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.361 -1.082 . . . . 3.0800000000000001 109.527 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.83 -42.7 94.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 2.54 109.611 -179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.2 ttm-85 -66.53 -37.27 84.65 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.196 -0.94 . . . . 4.1100000000000003 109.687 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -53.83 -52.48 60.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.359 -0.838 . . . . 0.56999999999999995 109.399 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.83 -35.5 64.01 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.605 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.31 -53.14 53.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.294 -0.879 . . . . 1.29 110.457 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.15 -43.41 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.989 -1.069 . . . . 0.40000000000000002 109.069 -179.739 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.1 -45.97 61.7 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.325 -0.86 . . . . 3.8500000000000001 109.349 179.696 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.5 -45.77 92.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 1.78 109.719 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.17 -42.46 98.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.132 -0.98 . . . . 1.1699999999999999 109.227 -179.896 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.6 -50.88 72.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.225 -0.922 . . . . 1.2 109.476 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.44 -35.97 82.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1200000000000001 109.728 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.91 29.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 1.0700000000000001 110.027 -179.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.17 -42.13 98.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 1.1399999999999999 109.354 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.73 -36.13 78.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.227 -0.921 . . . . 2.0899999999999999 109.231 179.522 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.73 -49.9 71.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 1.3799999999999999 109.072 179.844 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.48 -49.1 74.93 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 2.6800000000000002 108.866 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.18 -35.1 71.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.638 -0.664 . . . . 1.3400000000000001 109.262 179.767 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -24.75 66.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.851 . . . . 1.3 109.194 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.71 -15.48 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 1.8 109.32 179.72 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.46 60.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 1.47 109.383 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 -13.42 70.06 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.359 -1.496 . . . . 1.6599999999999999 109.359 179.868 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.42 129.06 35.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.275 -1.132 . . . . 4.7800000000000002 109.134 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' C' ' 360' ' ' GLY . 53.1 mt-10 -51.0 149.12 6.81 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.122 -0.986 . . . . 6.1900000000000004 109.014 -179.777 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.61 3.56 0.27 Allowed 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 120.954 1.103 . . . . 6.1799999999999997 110.055 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.549 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.902 -1.499 . . . . 6.9000000000000004 109.588 -179.874 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' D' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.449 -0.574 . . . . 7.6900000000000004 109.449 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' D' ' 319' ' ' LYS . 79.7 mttt 57.1 162.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -0.845 . . . . 7.4500000000000002 109.646 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' D' ' 322' ' ' PRO . 81.9 tttt 55.94 73.95 0.77 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 6.8399999999999999 109.529 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' D' ' 321' ' ' LYS . 5.3 Cg_exo -58.24 -141.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.593 1.529 . . . . 5.1200000000000001 110.041 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 32.3 mt -74.91 135.97 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.781 -1.2 . . . . 4.6600000000000001 109.245 -179.581 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.42 12.86 2.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 2.46 109.932 -179.556 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.47 138.14 35.75 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.345 -1.502 . . . . 1.0800000000000001 109.345 -179.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.32 128.02 34.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.548 -0.972 . . . . 1.6699999999999999 109.7 -179.863 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -93.45 157.34 16.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.175 -0.953 . . . . 1.01 109.238 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.53 -170.56 2.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.63 109.69 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -149.56 149.49 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.488 -0.93 . . . . 1.1299999999999999 108.488 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.23 135.8 29.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.296 -0.877 . . . . 1.1000000000000001 109.699 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.28 131.46 34.41 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.593 -0.892 . . . . 1.3700000000000001 108.593 179.161 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.47 112.42 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.416 -0.803 . . . . 1.1499999999999999 109.481 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.11 138.66 42.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.371 -0.603 . . . . 2.77 109.371 179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.16 135.14 8.79 Favored Glycine 0 N--CA 1.498 2.812 0 N-CA-C 109.685 -1.366 . . . . 0.42999999999999999 109.685 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.06 -45.61 11.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.341 -1.093 . . . . 3.1200000000000001 109.567 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.81 -42.86 94.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 2.2200000000000002 109.522 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.1 ttm-85 -66.27 -37.41 85.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 3.5 109.688 -179.773 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -53.88 -52.43 60.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.5 109.474 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.78 -35.46 63.85 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.33 -0.856 . . . . 1.6899999999999999 109.665 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.43 -53.02 54.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.361 -0.837 . . . . 1.1399999999999999 110.482 -179.338 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.22 -43.44 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.32000000000000001 109.067 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.04 -45.91 61.46 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 2.96 109.408 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.53 -45.81 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 1.75 109.716 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.09 -42.52 98.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.23 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -58.63 -50.93 72.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.301 -0.875 . . . . 1.22 109.387 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.43 -35.98 82.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.311 -0.868 . . . . 1.73 109.754 -179.862 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -56.02 27.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 1.0700000000000001 110.035 -179.662 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.23 -42.11 98.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.165 -0.959 . . . . 1.1100000000000001 109.289 -179.719 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.75 -36.1 78.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.215 -0.928 . . . . 1.9099999999999999 109.203 179.556 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.74 -49.75 71.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 1.1699999999999999 109.106 179.875 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -63.55 -49.15 74.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.45 -0.781 . . . . 2.1499999999999999 108.921 179.605 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.1 -35.17 71.04 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.634 -0.666 . . . . 1.4399999999999999 109.285 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -24.79 66.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.337 -0.852 . . . . 1.3 109.23 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.74 -15.48 48.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.864 . . . . 1.3999999999999999 109.253 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -13.42 60.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.6000000000000001 109.324 179.839 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.72 -13.38 69.99 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.383 -1.487 . . . . 1.5 109.383 179.873 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.46 129.08 35.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -1.146 . . . . 4.5499999999999998 109.135 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' D' ' 360' ' ' GLY . 53.1 mt-10 -51.03 149.16 6.84 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 5.6699999999999999 109.029 -179.761 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.66 3.56 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.017 1.145 . . . . 6.1200000000000001 110.042 179.421 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.995 -1.447 . . . . 7.2699999999999996 109.495 -179.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.328 0.585 . . . . 7.6600000000000001 109.52 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.43 92.44 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -0.923 . . . . 7.5099999999999998 109.419 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.74 69.89 1.74 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 6.8099999999999996 110.162 179.39 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.29 -148.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 121.38 1.387 . . . . 5.1500000000000004 109.322 179.69 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 323' ' ' LEU . 3.6 mm? -77.6 99.74 5.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.968 -1.083 . . . . 4.7000000000000002 109.08 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -83.46 -117.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.671 -0.643 . . . . 2.48 109.811 -179.713 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.56 50.26 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.684 -1.366 . . . . 1.0800000000000001 109.684 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.86 134.27 56.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -1.099 . . . . 1.7 109.767 -179.894 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.48 157.6 15.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.237 -0.914 . . . . 1.04 109.312 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.08 -171.79 3.03 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.297 -0.877 . . . . 0.65000000000000002 109.355 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.17 28.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.184 -0.947 . . . . 1.1399999999999999 108.75 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.6 tp -141.43 135.22 30.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.308 -0.87 . . . . 1.0900000000000001 109.574 -178.761 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.68 131.42 34.34 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.203 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.5 115.94 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.489 -0.757 . . . . 1.1499999999999999 109.427 -179.525 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.05 151.44 38.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.546 -0.721 . . . . 2.79 109.698 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 136.93 3.94 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.273 -1.131 . . . . 0.45000000000000001 110.273 179.347 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.46 -48.43 11.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 3.1600000000000001 109.434 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.36 -40.09 85.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.496 179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.49 -40.65 97.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.27 -0.893 . . . . 3.54 109.398 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.29 -54.62 41.24 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.611 -0.68 . . . . 0.5 110.03 -179.78 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.72 -38.31 54.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 110.048 -179.685 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.46 -50.45 71.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.125 -179.272 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.12 -45.66 93.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.133 -0.98 . . . . 0.34000000000000002 109.173 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.43 -40.78 60.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.193 -0.942 . . . . 2.9399999999999999 109.467 179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.69 -53.67 54.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.74 109.881 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.15 -38.37 82.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 108.593 179.84 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.23 -55.0 40.49 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 1.22 109.524 179.576 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.35 -31.84 73.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 1.72 109.846 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.31 -51.01 71.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.305 -0.872 . . . . 1.0700000000000001 109.911 -179.561 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.76 -43.28 99.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.171 -0.956 . . . . 1.0800000000000001 109.313 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.22 -37.75 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.343 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.518 ' CD2' ' NE2' ' B' ' 354' ' ' GLN . 4.5 tp -64.3 -39.97 94.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 1.1499999999999999 108.87 179.868 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.48 -43.93 95.85 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.879 0.847 . . . . 2.1400000000000001 108.806 179.338 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -54.76 -30.86 57.67 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.243 0.544 . . . . 1.4299999999999999 109.72 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.58 40.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 1.3 109.452 -179.94 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.494 ' NE2' ' CD2' ' B' ' 350' ' ' LEU . 33.3 mt-30 -81.35 0.46 37.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 1.4199999999999999 109.599 -179.912 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.02 -70.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 1.5800000000000001 109.938 -179.73 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.15 37.93 0.79 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.816 -1.314 . . . . 1.54 109.816 -179.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 355' ' ' ALA . 58.5 tttm -85.14 -81.0 0.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -1.142 . . . . 4.5499999999999998 109.477 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.21 132.68 32.12 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.184 -0.948 . . . . 5.71 109.119 -179.88 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.75 -167.27 0.04 OUTLIER 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.686 0.924 . . . . 6.0899999999999999 109.862 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.908 -1.496 . . . . 7.2400000000000002 109.519 179.96 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.534 -0.543 . . . . 7.6699999999999999 109.534 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.5 92.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.374 -0.829 . . . . 7.46 109.359 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.48 70.02 1.73 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.403 -0.81 . . . . 6.79 110.175 179.421 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.24 -148.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.441 1.428 . . . . 5.1500000000000004 109.296 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' B' ' 323' ' ' LEU . 3.6 mm? -77.59 99.63 5.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.864 -1.148 . . . . 4.6600000000000001 109.127 179.685 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -83.4 -117.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.694 -0.629 . . . . 2.4700000000000002 109.771 -179.683 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.52 50.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.676 -1.37 . . . . 1.0600000000000001 109.676 -179.727 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -60.76 134.15 56.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -1.066 . . . . 1.6100000000000001 109.774 -179.932 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.39 157.64 15.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.251 -0.906 . . . . 0.96999999999999997 109.327 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.12 -171.86 3.05 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.59999999999999998 109.332 -179.824 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.18 28.11 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.162 -0.961 . . . . 1.1000000000000001 108.837 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -141.35 135.18 30.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.38 -0.825 . . . . 1.1000000000000001 109.62 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.68 131.37 34.35 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.2 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.45 115.94 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.537 -0.727 . . . . 1.1699999999999999 109.467 -179.53 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -75.07 151.44 38.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.499 -0.751 . . . . 2.79 109.666 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.82 3.89 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.26 -1.136 . . . . 0.47999999999999998 110.26 179.323 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.38 -48.41 11.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -1.068 . . . . 3.2200000000000002 109.422 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.22 -40.3 85.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 2.21 109.477 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.37 -40.68 97.9 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.25 -0.906 . . . . 3.5499999999999998 109.386 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.4 -54.61 41.59 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.557 -0.714 . . . . 0.52000000000000002 109.889 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -51.82 -38.27 55.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.952 -179.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.47 -50.45 71.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 110.201 -179.309 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.09 -45.67 93.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.109 -0.994 . . . . 0.33000000000000002 109.23 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.44 -40.68 59.87 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.169 -0.957 . . . . 3.02 109.55 179.727 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.64 -53.87 52.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 1.75 109.829 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.01 -38.39 82.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.115 -0.991 . . . . 1.0700000000000001 108.636 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.24 -54.98 40.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.497 -0.752 . . . . 1.21 109.577 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.29 -31.89 73.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.843 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.94 71.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 1.0600000000000001 109.99 -179.535 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.74 -43.29 99.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 1.0800000000000001 109.325 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.26 -37.76 75.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 1.9299999999999999 109.265 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.494 ' CD2' ' NE2' ' A' ' 354' ' ' GLN . 4.6 tp -64.24 -39.86 94.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.1399999999999999 108.877 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.49 -44.04 95.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.403 -0.811 . . . . 2.1899999999999999 108.938 179.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.8 -30.76 57.85 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.245 0.545 . . . . 1.4299999999999999 109.744 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.53 40.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 1.3100000000000001 109.486 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.518 ' NE2' ' CD2' ' A' ' 350' ' ' LEU . 33.3 mt-30 -81.3 0.41 37.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.345 -0.847 . . . . 1.3999999999999999 109.656 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.98 -70.42 0.31 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 1.5700000000000001 109.883 -179.75 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.13 38.01 0.79 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.853 -1.299 . . . . 1.53 109.853 -179.622 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' B' ' 355' ' ' ALA . 58.4 tttm -85.28 -80.93 0.21 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -1.18 . . . . 4.5800000000000001 109.399 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.29 132.71 32.89 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.274 -0.891 . . . . 5.6799999999999997 109.152 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.72 -167.3 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 120.657 0.905 . . . . 6.0499999999999998 109.891 179.659 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.008 -1.44 . . . . 7.2000000000000002 109.528 179.933 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.492 -0.558 . . . . 9.2200000000000006 109.492 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.55 92.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 8.5099999999999998 109.467 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.54 69.99 1.73 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 7.4199999999999999 110.262 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.26 -148.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 121.492 1.461 . . . . 5.0499999999999998 109.3 179.734 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.6 mm? -77.58 99.7 5.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.954 -1.092 . . . . 5.1399999999999997 109.034 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.41 -117.68 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.704 -0.622 . . . . 2.8500000000000001 109.833 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.53 162.6 50.05 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.74 -1.344 . . . . 1.27 109.74 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.79 134.23 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -1.092 . . . . 2.1099999999999999 109.819 -179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.45 157.67 15.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.234 -0.917 . . . . 1.01 109.296 179.663 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.09 -171.83 3.04 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.298 -0.876 . . . . 0.57999999999999996 109.403 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.89 148.25 28.21 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.295 -0.878 . . . . 1.1599999999999999 108.752 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.43 135.18 30.09 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.354 -0.841 . . . . 1.1699999999999999 109.619 -178.729 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.71 131.47 34.33 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.609 -0.886 . . . . 1.8100000000000001 108.609 179.217 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.4 mt -123.56 115.95 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.486 -0.759 . . . . 1.1299999999999999 109.485 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.04 151.47 38.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 2.8199999999999998 109.675 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.87 3.91 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.273 -1.131 . . . . 0.45000000000000001 110.273 179.324 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.41 -48.47 11.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.408 -1.054 . . . . 3.0800000000000001 109.456 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.211 -0.931 . . . . 2.54 109.501 179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.42 -40.65 97.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.25 -0.906 . . . . 4.1100000000000003 109.46 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.34 -54.68 40.59 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.484 -0.76 . . . . 0.56999999999999995 110.01 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.68 -38.3 54.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 1.6599999999999999 110.053 -179.726 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.43 -50.49 71.3 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.183 -0.948 . . . . 1.29 110.155 -179.321 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.08 -45.71 93.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.242 -0.912 . . . . 0.40000000000000002 109.189 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.39 -40.83 60.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 3.8500000000000001 109.447 179.745 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.52 -53.85 52.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.228 -0.92 . . . . 1.78 109.9 -179.659 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.04 -38.42 82.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.139 -0.976 . . . . 1.1699999999999999 108.63 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.15 -54.99 40.65 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.482 -0.761 . . . . 1.2 109.56 179.583 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.37 -31.89 73.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 2.1200000000000001 109.789 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.29 -51.0 71.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.906 -179.497 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 1.1399999999999999 109.354 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -58.27 -37.76 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.0899999999999999 109.263 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.49 ' CD2' ' NE2' ' D' ' 354' ' ' GLN . 4.5 tp -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 1.3799999999999999 108.851 179.894 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.36 -44.17 95.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.351 -0.843 . . . . 2.6800000000000002 108.987 179.135 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.81 -30.71 57.79 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.218 0.533 . . . . 1.3400000000000001 109.787 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -52.51 40.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 1.3 109.482 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.531 ' NE2' ' CD2' ' D' ' 350' ' ' LEU . 33.3 mt-30 -81.29 0.37 37.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.304 -0.872 . . . . 1.8 109.617 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.97 -70.36 0.31 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.47 109.862 -179.674 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.18 37.96 0.8 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.834 -1.307 . . . . 1.6599999999999999 109.834 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' C' ' 355' ' ' ALA . 58.4 tttm -85.14 -81.0 0.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.222 -1.164 . . . . 4.7800000000000002 109.445 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.31 132.7 33.09 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 6.1900000000000004 109.169 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.7 -167.36 0.04 OUTLIER 'Trans proline' 0 C--O 1.216 -0.624 0 C-N-CA 120.72 0.947 . . . . 6.1799999999999997 109.885 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 N-CA-C 109.502 -1.439 . . . . 6.9000000000000004 109.502 179.947 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.305 0.574 . . . . 7.6900000000000004 109.487 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.49 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.289 -0.882 . . . . 7.4500000000000002 109.453 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.62 69.91 1.75 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 6.8399999999999999 110.203 179.43 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.23 -148.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.442 1.428 . . . . 5.1200000000000001 109.317 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' D' ' 323' ' ' LEU . 3.6 mm? -77.7 99.71 5.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.91 -1.119 . . . . 4.6600000000000001 109.063 179.76 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.38 -117.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 2.46 109.804 -179.692 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 162.62 49.96 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.738 -1.345 . . . . 1.0800000000000001 109.738 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.89 134.18 56.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.375 -1.073 . . . . 1.6699999999999999 109.737 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.51 157.58 15.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.215 -0.928 . . . . 1.01 109.289 179.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.94 -171.77 3.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.338 -0.851 . . . . 0.63 109.398 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 27.5 p -150.96 148.26 28.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.163 -0.96 . . . . 1.1299999999999999 108.75 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.48 135.23 30.05 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.831 . . . . 1.1000000000000001 109.544 -178.708 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.73 131.42 34.33 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.716 -0.846 . . . . 1.3700000000000001 108.716 179.197 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.53 115.94 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.436 -0.79 . . . . 1.1499999999999999 109.432 -179.504 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -74.94 151.39 38.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 2.77 109.722 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.36 136.99 3.98 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.172 -1.171 . . . . 0.42999999999999999 110.172 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.58 -48.36 11.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.385 -1.067 . . . . 3.1200000000000001 109.502 179.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -59.27 -40.24 85.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.291 -0.881 . . . . 2.2200000000000002 109.492 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.38 -40.7 97.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.296 -0.878 . . . . 3.5 109.409 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -55.34 -54.58 41.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.605 -0.685 . . . . 0.5 109.958 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -51.83 -38.25 55.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.981 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.49 -50.35 71.76 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 110.227 -179.316 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -61.14 -45.62 93.89 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.32000000000000001 109.211 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.45 -40.85 60.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.927 . . . . 2.96 109.441 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.54 -53.85 52.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.75 109.863 -179.597 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.07 -38.36 82.64 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.129 -0.982 . . . . 1.0800000000000001 108.584 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.19 -54.96 40.98 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.53 -0.731 . . . . 1.22 109.548 179.592 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.45 -31.75 73.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.842 . . . . 1.73 109.857 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.34 -51.06 71.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 109.906 -179.585 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.66 -43.28 99.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 1.1100000000000001 109.363 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 1.9099999999999999 109.287 179.881 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.531 ' CD2' ' NE2' ' C' ' 354' ' ' GLN . 4.5 tp -64.29 -40.04 95.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 1.1699999999999999 108.906 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.42 -43.98 95.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 2.1499999999999999 108.831 179.296 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -54.78 -30.79 57.66 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.241 0.544 . . . . 1.4399999999999999 109.77 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -52.56 40.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 1.3 109.477 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.49 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 33.3 mt-30 -81.31 0.39 37.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 1.3999999999999999 109.622 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.96 -70.34 0.31 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.307 -0.871 . . . . 1.6000000000000001 109.926 -179.724 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.2 38.0 0.81 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.837 -1.305 . . . . 1.5 109.837 -179.621 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' D' ' 355' ' ' ALA . 58.4 tttm -85.12 -81.01 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -1.132 . . . . 4.5499999999999998 109.519 179.908 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.21 132.69 32.06 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.288 -0.882 . . . . 5.6699999999999999 109.152 -179.884 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.73 -167.28 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 120.708 0.939 . . . . 6.1200000000000001 109.829 179.695 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.99 -1.45 . . . . 7.2699999999999996 109.532 179.888 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.5 -0.556 . . . . 7.6600000000000001 109.5 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 67.06 -13.56 0.2 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.707 . . . . 7.5099999999999998 109.953 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.545 ' H ' ' C ' ' A' ' 319' ' ' LYS . 33.6 tttm 57.38 76.0 0.51 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.104 -0.998 . . . . 6.8099999999999996 109.383 179.765 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.2 -151.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 121.552 1.502 . . . . 5.1500000000000004 110.432 -179.256 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.53 113.93 16.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 4.7000000000000002 109.437 -179.77 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' A' ' 321' ' ' LYS . 6.4 m-20 -80.6 -118.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.284 -0.885 . . . . 2.48 109.651 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 155.28 53.41 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.76 -1.336 . . . . 1.0800000000000001 109.76 -179.745 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.11 140.75 55.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.316 -1.108 . . . . 1.7 109.566 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -94.43 151.66 19.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.325 -0.86 . . . . 1.04 109.613 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.68 -170.43 2.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.393 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.98 148.04 27.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.547 -0.909 . . . . 1.1399999999999999 108.547 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.68 135.26 27.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.335 -0.853 . . . . 1.0900000000000001 109.928 -178.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -84.55 127.07 33.85 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.394 -0.965 . . . . 1.3700000000000001 108.394 179.097 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.62 111.32 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.426 -0.796 . . . . 1.1499999999999999 109.397 -179.543 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.402 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.9 ttt-85 -75.27 152.47 38.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.577 -0.702 . . . . 2.79 109.84 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.03 134.26 4.01 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.859 -1.297 . . . . 0.45000000000000001 109.859 179.723 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.04 -46.71 17.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.402 -1.058 . . . . 3.1600000000000001 109.374 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.03 -44.16 87.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 2.2200000000000002 109.093 179.817 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -62.32 -43.56 98.53 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.249 -0.907 . . . . 3.54 108.961 179.425 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.45 11.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.67 -0.644 . . . . 0.5 109.686 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -52.08 -40.24 60.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.358 -0.838 . . . . 1.6599999999999999 109.696 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.03 -51.66 65.87 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.29 -0.881 . . . . 1.1499999999999999 110.059 -179.625 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -47.34 86.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.14 -0.975 . . . . 0.34000000000000002 108.857 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.44 64.38 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.599 179.772 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.0 -43.43 95.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.247 -0.908 . . . . 1.74 109.984 -179.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.18 -40.51 94.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.069 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.44 -54.81 42.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.305 -0.872 . . . . 1.22 109.439 179.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.79 -36.71 84.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -0.9 . . . . 1.72 109.724 -179.891 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.08 51.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 1.0700000000000001 109.928 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.69 -42.87 99.51 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.478 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.66 -34.51 72.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.59 179.902 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.03 -51.54 63.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 1.1499999999999999 109.186 -179.896 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.4 -46.26 90.88 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.274 -0.891 . . . . 2.1400000000000001 109.217 179.836 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.23 -32.09 66.18 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.595 -0.691 . . . . 1.4299999999999999 109.589 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.6 80.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 1.3 109.804 -179.701 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.54 -6.21 58.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.897 . . . . 1.4199999999999999 109.615 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -7.04 45.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.942 . . . . 1.5800000000000001 109.621 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 -19.88 57.03 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.545 -1.422 . . . . 1.54 109.545 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -87.9 144.84 26.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.222 -1.163 . . . . 4.5499999999999998 109.174 179.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.07 152.56 3.78 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 5.71 109.252 -179.628 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.12 154.94 25.85 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.126 1.217 . . . . 6.0899999999999999 110.179 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.05 -1.417 . . . . 7.2400000000000002 109.641 179.661 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' B' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.486 -0.561 . . . . 7.6699999999999999 109.486 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 67.12 -13.78 0.2 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 7.46 109.934 -179.877 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.554 ' H ' ' C ' ' B' ' 319' ' ' LYS . 33.5 tttm 57.46 75.99 0.51 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.988 . . . . 6.79 109.392 179.839 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.22 -152.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.548 1.498 . . . . 5.1500000000000004 110.404 -179.225 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.48 113.83 16.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 4.6600000000000001 109.42 -179.757 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 321' ' ' LYS . 6.4 m-20 -80.64 -118.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 2.4700000000000002 109.696 -179.834 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 155.29 53.35 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.838 -1.305 . . . . 1.0600000000000001 109.838 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.23 140.79 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -1.059 . . . . 1.6100000000000001 109.532 -179.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -94.31 151.69 19.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.228 -0.92 . . . . 0.96999999999999997 109.651 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -135.86 -170.46 2.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.329 -0.857 . . . . 0.59999999999999998 109.386 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -152.03 147.83 26.97 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.552 -0.907 . . . . 1.1000000000000001 108.552 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.8 tp -142.49 135.32 28.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.214 -0.929 . . . . 1.1000000000000001 109.984 -178.703 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.56 127.09 33.87 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.428 -0.953 . . . . 1.3600000000000001 108.428 179.089 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.61 111.23 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.529 -0.732 . . . . 1.1699999999999999 109.377 -179.454 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -75.22 152.48 38.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.555 -0.716 . . . . 2.79 109.794 -179.9 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.0 134.19 3.96 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.863 -1.295 . . . . 0.47999999999999998 109.863 179.704 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.99 -46.66 17.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -1.111 . . . . 3.2200000000000002 109.381 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.02 -44.23 87.19 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.234 -0.916 . . . . 2.21 109.102 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -62.24 -43.53 98.62 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.296 -0.878 . . . . 3.5499999999999998 109.005 179.413 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.05 -57.45 11.65 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.629 -0.669 . . . . 0.52000000000000002 109.654 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.13 61.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.6799999999999999 109.645 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.13 -51.66 65.62 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 1.1499999999999999 110.01 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.17 -47.48 85.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.33000000000000002 108.823 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.96 -44.45 63.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.343 -0.848 . . . . 3.02 109.657 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 1.75 109.979 -179.651 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.19 -40.56 94.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 109.009 -179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.36 -54.87 42.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 1.21 109.461 179.645 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -62.71 -36.77 84.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 1.6899999999999999 109.741 -179.918 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.03 51.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 1.0600000000000001 109.941 -179.592 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.0800000000000001 109.436 -179.788 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.71 -34.52 73.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.582 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.93 -51.65 63.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.125 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.37 -46.22 91.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 2.1899999999999999 109.232 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 40.5 m-20 -57.27 -32.08 66.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.568 -0.708 . . . . 1.4299999999999999 109.546 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.59 80.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 1.3100000000000001 109.782 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.57 -6.15 58.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.3999999999999999 109.629 -179.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.02 45.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 1.5700000000000001 109.688 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.75 -19.88 57.13 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.588 -1.405 . . . . 1.53 109.588 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -87.9 144.79 26.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.21 -1.17 . . . . 4.5800000000000001 109.107 179.73 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.02 152.44 3.78 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.945 . . . . 5.6799999999999997 109.263 -179.721 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -56.03 154.95 25.34 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.115 1.21 . . . . 6.0499999999999998 110.173 179.433 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.027 -1.429 . . . . 7.2000000000000002 109.651 179.695 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.55 ' C ' ' H ' ' C' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.47 -0.567 . . . . 9.2200000000000006 109.47 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 69.3 tttt 67.07 -13.65 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.568 -0.708 . . . . 8.5099999999999998 109.957 -179.867 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' C' ' 319' ' ' LYS . 33.5 tttm 57.38 76.05 0.51 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.094 -1.004 . . . . 7.4199999999999999 109.384 179.793 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.2 -151.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.858 0 C-N-CA 121.582 1.521 . . . . 5.0499999999999998 110.386 -179.235 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.57 113.87 16.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.313 -0.867 . . . . 5.1399999999999997 109.361 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.417 ' CG ' ' NZ ' ' C' ' 321' ' ' LYS . 6.3 m-20 -80.62 -118.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.847 . . . . 2.8500000000000001 109.758 -179.861 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.28 53.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.723 -1.351 . . . . 1.27 109.723 -179.75 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.16 140.69 55.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.357 -1.084 . . . . 2.1099999999999999 109.565 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -94.32 151.79 19.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -0.907 . . . . 1.01 109.632 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -135.79 -170.49 2.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.346 -0.846 . . . . 0.57999999999999996 109.354 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.98 148.06 27.29 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.531 -0.915 . . . . 1.1599999999999999 108.531 179.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.9 tp -142.72 135.24 27.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.235 -0.916 . . . . 1.1699999999999999 109.961 -178.688 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 127.16 33.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.412 -0.958 . . . . 1.8100000000000001 108.412 179.127 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.67 111.28 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.491 -0.756 . . . . 1.1299999999999999 109.337 -179.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -75.34 152.46 38.12 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.625 -0.672 . . . . 2.8199999999999998 109.813 -179.903 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.06 134.25 4.01 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.81 -1.316 . . . . 0.45000000000000001 109.81 179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.0 -46.78 17.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -1.14 . . . . 3.0800000000000001 109.343 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.05 -44.04 87.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.28 -0.887 . . . . 2.54 109.134 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -62.39 -43.51 98.65 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.298 -0.876 . . . . 4.1100000000000003 108.944 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.07 -57.4 11.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.652 -0.655 . . . . 0.56999999999999995 109.684 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -52.15 -40.15 60.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 109.677 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.11 -51.66 65.67 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.366 -0.834 . . . . 1.29 110.052 -179.622 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.19 -47.39 86.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.40000000000000002 108.877 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.37 64.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.4 -0.812 . . . . 3.8500000000000001 109.637 179.781 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.93 -43.58 94.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 1.78 110.006 -179.733 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.09 -40.45 93.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 1.1699999999999999 109.122 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.48 -54.85 42.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.355 -0.841 . . . . 1.2 109.471 179.64 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.78 -36.73 84.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.348 -0.845 . . . . 2.1200000000000001 109.733 -179.902 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.02 51.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.981 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.68 -42.78 99.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 1.1399999999999999 109.527 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.75 -34.6 73.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.175 -0.953 . . . . 2.0899999999999999 109.525 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.89 -51.63 63.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -0.898 . . . . 1.3799999999999999 109.181 -179.872 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.33 -46.27 90.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -0.863 . . . . 2.6800000000000002 109.271 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 40.7 m-20 -57.17 -32.14 66.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.629 -0.669 . . . . 1.3400000000000001 109.577 179.873 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.59 80.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 1.3 109.841 -179.664 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.59 -6.1 58.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 1.8 109.626 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.85 -6.99 45.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 1.47 109.546 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.85 56.91 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.457 -1.457 . . . . 1.6599999999999999 109.457 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -87.96 144.79 26.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.15 . . . . 4.7800000000000002 109.12 179.724 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.02 152.45 3.78 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.171 -0.955 . . . . 6.1900000000000004 109.222 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.07 154.94 25.56 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.065 1.177 . . . . 6.1799999999999997 110.189 179.459 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.987 -1.451 . . . . 6.9000000000000004 109.692 179.75 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' D' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.515 -0.55 . . . . 7.6900000000000004 109.515 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 69.3 tttt 67.1 -13.69 0.2 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.517 -0.739 . . . . 7.4500000000000002 109.889 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.548 ' H ' ' C ' ' D' ' 319' ' ' LYS . 33.5 tttm 57.38 76.0 0.51 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 6.8399999999999999 109.433 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.12 -151.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.574 1.516 . . . . 5.1200000000000001 110.487 -179.286 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.3 mt -78.58 113.92 17.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.856 . . . . 4.6600000000000001 109.393 -179.778 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.419 ' CG ' ' NZ ' ' D' ' 321' ' ' LYS . 6.4 m-20 -80.66 -118.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.46 109.674 -179.774 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.54 155.36 53.35 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.808 -1.317 . . . . 1.0800000000000001 109.808 -179.804 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.26 140.83 55.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.351 -1.087 . . . . 1.6699999999999999 109.526 -179.958 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -94.34 151.62 19.27 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 1.01 109.621 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.73 -170.39 2.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.381 -0.825 . . . . 0.63 109.364 179.876 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -152.06 147.92 27.07 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.532 -0.914 . . . . 1.1299999999999999 108.532 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.52 135.43 28.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -0.839 . . . . 1.1000000000000001 109.957 -178.711 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.65 127.09 33.9 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.459 -0.941 . . . . 1.3700000000000001 108.459 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.61 111.26 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.357 -179.433 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.404 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.48 38.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.624 -0.672 . . . . 2.77 109.806 -179.905 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.96 134.25 3.96 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.887 -1.285 . . . . 0.42999999999999999 109.887 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.97 -46.76 17.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -1.135 . . . . 3.1200000000000001 109.407 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.01 -44.16 87.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 2.2200000000000002 109.047 179.809 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -62.27 -43.63 98.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.282 -0.886 . . . . 3.5 108.929 179.485 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.41 11.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.645 -0.659 . . . . 0.5 109.698 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.22 61.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.873 . . . . 1.6899999999999999 109.636 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.01 -51.68 65.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.25 -0.906 . . . . 1.1399999999999999 110.059 -179.614 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.18 -47.44 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.32000000000000001 108.896 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.97 -44.46 64.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 2.96 109.647 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.97 -43.51 95.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 1.75 110.076 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.06 -40.5 93.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.12 -0.988 . . . . 1.0800000000000001 109.099 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.43 -54.9 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.273 -0.892 . . . . 1.22 109.373 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -36.73 84.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.873 . . . . 1.73 109.745 -179.844 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.02 51.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.139 -0.976 . . . . 1.0700000000000001 109.933 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.68 -42.87 99.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 1.1100000000000001 109.462 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.68 -34.5 72.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 109.617 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.97 -51.63 63.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 1.1699999999999999 109.132 -179.88 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.44 -46.22 91.01 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.314 -0.866 . . . . 2.1499999999999999 109.206 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -57.2 -32.13 66.17 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.554 -0.716 . . . . 1.4399999999999999 109.541 179.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.54 80.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 1.3 109.802 -179.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 -6.16 58.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 1.3999999999999999 109.65 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -7.06 45.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 1.6000000000000001 109.645 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.8 -19.8 57.19 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.495 -1.442 . . . . 1.5 109.495 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -88.02 144.8 26.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -1.172 . . . . 4.5499999999999998 109.047 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.04 152.54 3.75 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 5.6699999999999999 109.277 -179.673 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.07 154.96 25.51 Favored 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.145 1.23 . . . . 6.1200000000000001 110.119 179.479 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 118.051 -1.416 . . . . 7.2699999999999996 109.635 179.636 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.294 0.568 . . . . 7.6600000000000001 109.511 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 52.96 -141.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.275 -0.891 . . . . 7.5099999999999998 109.538 -179.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.24 70.1 2.07 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.257 -0.902 . . . . 6.8099999999999996 109.428 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 324' ' ' ASP . 3.7 Cg_exo -61.41 97.79 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.537 1.492 . . . . 5.1500000000000004 110.175 -179.43 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.8 mt -81.15 38.56 0.48 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.391 -0.818 . . . . 4.7000000000000002 109.186 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 322' ' ' PRO . 3.1 m-20 -76.58 167.94 20.96 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.691 -0.63 . . . . 2.48 109.563 -179.624 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 177.27 23.65 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.033 -1.227 . . . . 1.0800000000000001 110.033 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.78 142.93 48.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.478 -1.013 . . . . 1.7 109.711 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.68 155.94 16.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.279 -0.888 . . . . 1.04 109.79 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -135.86 -168.68 2.26 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.515 -0.741 . . . . 0.65000000000000002 109.099 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.35 152.46 33.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.918 . . . . 1.1399999999999999 108.86 -179.763 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 69.2 tp -143.04 135.74 27.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 1.0900000000000001 109.883 -178.749 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.06 127.35 34.18 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.711 -0.848 . . . . 1.3700000000000001 108.711 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.24 112.01 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.533 -0.729 . . . . 1.1499999999999999 109.073 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.14 45.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.63 -0.669 . . . . 2.79 110.533 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.65 131.61 5.31 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.361 -1.096 . . . . 0.45000000000000001 110.361 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.467 ' HG3' HH11 ' A' ' 335' ' ' ARG . 3.3 ttm-85 -80.01 -39.33 30.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 3.1600000000000001 108.878 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 -49.38 77.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.243 -0.91 . . . . 2.2200000000000002 109.205 179.688 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 10.8 ttm-85 -63.97 -36.37 83.75 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.255 -0.903 . . . . 3.54 109.741 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -51.99 -52.02 53.4 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.451 -0.78 . . . . 0.5 109.144 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 72.1 mm-40 -53.94 -38.56 65.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 1.6599999999999999 109.297 179.383 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.45 -55.97 22.58 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.387 -0.82 . . . . 1.1499999999999999 110.233 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.64 -48.23 82.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.34000000000000002 109.28 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 8.6 ttm180 -52.26 -39.34 60.25 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.19 -0.944 . . . . 2.9399999999999999 109.845 -179.804 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.22 -43.25 99.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.185 -0.947 . . . . 1.74 110.293 -179.433 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.34 -41.89 94.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.503 -179.552 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.74 -52.76 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.22 109.85 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 1.3 mp0 -62.46 -38.96 91.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.308 -0.87 . . . . 1.72 109.76 -179.496 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.21 66.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 1.0700000000000001 109.687 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.41 -44.51 96.27 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.422 -0.799 . . . . 1.0800000000000001 109.38 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.95 -34.49 71.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 1.9099999999999999 109.417 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.35 -49.72 70.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 1.1499999999999999 109.187 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.36 -48.55 75.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.413 -0.804 . . . . 2.1400000000000001 108.932 179.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.61 -29.49 64.57 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.658 -0.651 . . . . 1.4299999999999999 109.652 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.62 78.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 1.3 109.394 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -82.02 -5.16 58.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.4199999999999999 109.482 179.959 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.61 -1.73 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.288 -0.882 . . . . 1.5800000000000001 109.51 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.02 -3.47 90.68 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.435 -1.466 . . . . 1.54 109.435 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -85.72 24.19 1.28 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -1.127 . . . . 4.5499999999999998 109.553 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 2.3 mm-40 -51.84 -51.83 66.96 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 5.71 110.063 179.841 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -61.94 100.66 0.21 Allowed 'Trans proline' 0 C--N 1.324 -0.761 0 N-CA-C 109.598 -0.962 . . . . 6.0899999999999999 109.598 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.494 -1.442 . . . . 7.2400000000000002 109.494 -179.952 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.518 -0.549 . . . . 7.6699999999999999 109.518 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 53.0 -141.29 0.87 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 7.46 109.538 -179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.35 70.06 2.08 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.929 . . . . 6.79 109.422 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' B' ' 324' ' ' ASP . 3.7 Cg_exo -61.43 97.75 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.57 1.513 . . . . 5.1500000000000004 110.212 -179.419 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.08 38.51 0.47 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.461 -0.774 . . . . 4.6600000000000001 109.234 179.611 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' B' ' 322' ' ' PRO . 3.1 m-20 -76.6 167.74 21.3 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.625 -0.672 . . . . 2.4700000000000002 109.588 -179.588 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.5 177.35 21.76 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.083 -1.207 . . . . 1.0600000000000001 110.083 -179.552 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.95 142.94 49.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.446 -1.032 . . . . 1.6100000000000001 109.735 179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -95.59 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.848 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -135.78 -168.79 2.28 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.445 -0.784 . . . . 0.59999999999999998 109.113 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.4 p -151.29 152.39 33.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.214 -0.929 . . . . 1.1000000000000001 108.916 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.91 135.79 27.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.884 -178.743 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.16 127.39 34.24 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.643 -0.873 . . . . 1.3600000000000001 108.643 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.27 112.07 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.477 -0.764 . . . . 1.1699999999999999 109.061 -179.561 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.401 ' NE ' ' H ' ' D' ' 325' ' ' GLY . 1.5 tmt_? -73.87 145.04 45.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.566 -0.709 . . . . 2.79 110.524 -179.288 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 131.51 5.32 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.428 -1.069 . . . . 0.47999999999999998 110.428 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.458 HH11 ' HG3' ' B' ' 335' ' ' ARG . 3.3 ttm-85 -80.03 -39.15 30.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.536 -0.979 . . . . 3.2200000000000002 108.966 179.312 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.69 -49.37 77.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.252 -0.905 . . . . 2.21 109.168 179.664 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.451 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 10.7 ttm-85 -63.99 -36.39 83.83 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.237 -0.915 . . . . 3.5499999999999998 109.654 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -52.08 -51.89 54.81 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.351 -0.843 . . . . 0.52000000000000002 109.162 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 72.3 mm-40 -53.98 -38.58 65.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.248 179.371 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -62.39 -55.99 22.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.439 -0.788 . . . . 1.1499999999999999 110.211 -179.543 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.7 -48.33 82.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.33000000000000002 109.213 179.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 8.6 ttm180 -52.17 -39.38 59.98 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.266 -0.896 . . . . 3.02 109.848 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.26 -43.21 99.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.229 -0.919 . . . . 1.75 110.315 -179.439 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.3 -41.93 94.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.118 -0.989 . . . . 1.0700000000000001 109.523 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.75 -52.77 64.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.21 109.864 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.91 91.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 109.815 -179.535 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.31 65.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.116 -0.99 . . . . 1.0600000000000001 109.671 -179.631 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.31 -44.5 96.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.342 -0.849 . . . . 1.0800000000000001 109.463 -179.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.91 -34.51 71.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.403 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.39 -49.73 70.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 1.1399999999999999 109.058 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.39 -48.55 75.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.896 -0.779 . . . . 2.1899999999999999 108.896 179.66 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.58 -29.52 64.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.68 -0.638 . . . . 1.4299999999999999 109.661 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.55 78.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.198 -0.939 . . . . 1.3100000000000001 109.435 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -82.02 -5.16 58.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.298 -0.876 . . . . 1.3999999999999999 109.515 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -1.84 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 1.5700000000000001 109.492 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.57 90.6 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.459 -1.456 . . . . 1.53 109.459 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -85.64 24.23 1.26 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -1.136 . . . . 4.5800000000000001 109.561 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.3 mm-40 -51.87 -51.89 66.39 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.183 -0.948 . . . . 5.6799999999999997 110.037 179.824 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -61.87 100.64 0.2 Allowed 'Trans proline' 0 C--N 1.323 -0.774 0 N-CA-C 109.578 -0.97 . . . . 6.0499999999999998 109.578 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.962 -1.466 . . . . 7.2000000000000002 109.491 -179.945 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.475 -0.565 . . . . 9.2200000000000006 109.475 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 53.04 -141.27 0.87 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.326 -0.859 . . . . 8.5099999999999998 109.485 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 52.25 70.14 2.05 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.176 -0.952 . . . . 7.4199999999999999 109.415 -179.907 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' C' ' 324' ' ' ASP . 3.7 Cg_exo -61.5 97.8 0.15 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 C-N-CA 121.51 1.474 . . . . 5.0499999999999998 110.225 -179.475 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.13 38.55 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.455 -0.778 . . . . 5.1399999999999997 109.171 179.65 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' C' ' 322' ' ' PRO . 3.1 m-20 -76.6 167.87 21.07 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.668 -0.645 . . . . 2.8500000000000001 109.593 -179.616 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.7 177.36 22.59 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.11 -1.196 . . . . 1.27 110.11 -179.596 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.89 142.95 49.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.411 -1.052 . . . . 2.1099999999999999 109.808 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.69 155.92 16.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 1.01 109.835 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.83 -168.88 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.459 -0.775 . . . . 0.57999999999999996 109.123 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -151.25 152.43 33.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.204 -0.935 . . . . 1.1599999999999999 108.928 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.97 135.78 27.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 109.886 -178.697 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.19 127.31 34.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.694 -0.854 . . . . 1.8100000000000001 108.694 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.2 112.11 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.534 -0.729 . . . . 1.1299999999999999 109.039 -179.562 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.94 145.13 44.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.72 . . . . 2.8199999999999998 110.474 -179.305 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 131.52 5.28 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.454 -1.059 . . . . 0.45000000000000001 110.454 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.474 HH11 ' HG3' ' C' ' 335' ' ' ARG . 3.3 ttm-85 -79.98 -39.32 30.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.539 -0.977 . . . . 3.0800000000000001 108.91 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.5 -49.42 77.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 2.54 109.243 179.667 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.457 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 10.8 ttm-85 -63.95 -36.44 83.97 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.21 -0.931 . . . . 4.1100000000000003 109.755 -179.862 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.02 -51.96 53.94 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.56999999999999995 109.104 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 72.3 mm-40 -53.94 -38.61 65.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 1.6599999999999999 109.249 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.38 -56.08 21.73 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.24 -0.912 . . . . 1.29 110.221 -179.574 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.54 -48.33 82.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.40000000000000002 109.33 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 8.6 ttm180 -52.19 -39.39 60.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.221 -0.925 . . . . 3.8500000000000001 109.841 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.33 -43.14 99.38 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.148 -0.97 . . . . 1.78 110.277 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.33 -41.92 94.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.105 -0.997 . . . . 1.1699999999999999 109.527 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.76 -52.77 64.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.131 -0.98 . . . . 1.2 109.888 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.94 91.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.915 . . . . 2.1200000000000001 109.814 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.31 65.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 1.0700000000000001 109.674 -179.638 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.21 -44.65 96.11 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.389 -0.82 . . . . 1.1399999999999999 109.459 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.82 -34.52 71.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.368 -0.833 . . . . 2.0899999999999999 109.481 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.34 -49.81 70.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 1.3799999999999999 109.086 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.31 -48.58 75.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.443 -0.785 . . . . 2.6800000000000002 108.936 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.62 -29.45 64.55 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.65 -0.656 . . . . 1.3400000000000001 109.681 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.44 78.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.3 109.457 -179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -82.1 -5.14 58.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 1.8 109.476 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -1.81 12.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 1.47 109.452 -179.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.46 90.64 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.46 -1.456 . . . . 1.6599999999999999 109.46 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -85.71 24.2 1.28 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.261 -1.141 . . . . 4.7800000000000002 109.614 -179.923 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' C' ' 359' ' ' PRO . 2.3 mm-40 -51.79 -51.92 65.91 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 6.1900000000000004 110.08 179.852 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' C' ' 358' ' ' GLU . 2.4 Cg_endo -61.89 100.6 0.2 Allowed 'Trans proline' 0 C--N 1.325 -0.707 0 N-CA-C 109.654 -0.941 . . . . 6.1799999999999997 109.654 -179.843 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 118.024 -1.431 . . . . 6.9000000000000004 109.545 -179.984 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.3 0.571 . . . . 7.6900000000000004 109.491 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 52.94 -141.29 0.87 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 7.4500000000000002 109.562 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.31 70.12 2.06 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.22 -0.925 . . . . 6.8399999999999999 109.366 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' D' ' 324' ' ' ASP . 3.7 Cg_exo -61.44 97.75 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.521 1.481 . . . . 5.1200000000000001 110.231 -179.509 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.1 38.59 0.47 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.778 . . . . 4.6600000000000001 109.192 179.606 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' D' ' 322' ' ' PRO . 3.1 m-20 -76.49 167.87 21.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.652 -0.655 . . . . 2.46 109.623 -179.687 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.401 ' H ' ' NE ' ' B' ' 333' ' ' ARG . . . -67.79 177.32 23.08 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.061 -1.216 . . . . 1.0800000000000001 110.061 -179.616 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.93 142.89 49.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -1.058 . . . . 1.6699999999999999 109.741 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -95.61 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 1.01 109.811 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.85 -168.82 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.39 -0.819 . . . . 0.63 109.162 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.3 152.27 32.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.18 -0.95 . . . . 1.1299999999999999 108.956 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 69.5 tp -142.91 135.76 27.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.288 -0.883 . . . . 1.1000000000000001 109.912 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.05 127.33 34.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.723 -0.843 . . . . 1.3700000000000001 108.723 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.19 112.01 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.555 -0.715 . . . . 1.1499999999999999 109.077 -179.566 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.16 45.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.555 -0.715 . . . . 2.77 110.511 -179.31 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.62 131.61 5.3 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.459 -1.056 . . . . 0.42999999999999999 110.459 179.327 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.466 HH11 ' HG3' ' D' ' 335' ' ' ARG . 3.3 ttm-85 -80.0 -39.29 30.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.49 -1.006 . . . . 3.1200000000000001 108.944 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.59 -49.41 77.65 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.155 -0.966 . . . . 2.2200000000000002 109.147 179.737 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 10.6 ttm-85 -63.95 -36.45 84.01 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.245 -0.909 . . . . 3.5 109.717 -179.842 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -51.99 -51.96 53.77 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.312 -0.867 . . . . 0.5 109.165 -179.813 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 72.4 mm-40 -53.98 -38.64 65.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.6899999999999999 109.217 179.402 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.34 -56.06 22.03 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.369 -0.832 . . . . 1.1399999999999999 110.242 -179.55 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.59 -48.35 82.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.145 -0.972 . . . . 0.32000000000000001 109.279 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 8.6 ttm180 -52.11 -39.43 59.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.275 -0.89 . . . . 2.96 109.848 -179.821 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.28 -43.13 99.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 1.75 110.342 -179.405 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.39 -41.85 94.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 1.0800000000000001 109.541 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.73 -52.83 64.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.912 . . . . 1.22 109.876 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 1.3 mp0 -62.36 -38.9 91.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.181 -0.949 . . . . 1.73 109.811 -179.532 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0700000000000001 109.683 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 1.1100000000000001 109.439 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.89 -34.56 71.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.42 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.31 -49.83 70.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.109 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.31 -48.46 75.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.42 -0.8 . . . . 2.1499999999999999 108.966 179.627 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.8 -29.48 64.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.641 -0.662 . . . . 1.4399999999999999 109.586 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.57 78.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.17 -0.957 . . . . 1.3 109.465 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -82.05 -5.19 58.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.3999999999999999 109.491 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -1.85 12.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.94 . . . . 1.6000000000000001 109.488 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.94 -3.55 90.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.493 -1.443 . . . . 1.5 109.493 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -85.65 24.21 1.26 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.276 -1.132 . . . . 4.5499999999999998 109.645 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' D' ' 359' ' ' PRO . 2.2 mm-40 -51.88 -51.86 66.82 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 5.6699999999999999 110.048 179.886 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' D' ' 358' ' ' GLU . 2.4 Cg_endo -61.97 100.65 0.21 Allowed 'Trans proline' 0 C--N 1.324 -0.733 0 N-CA-C 109.613 -0.957 . . . . 6.1200000000000001 109.613 -179.834 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 CA-C-O 117.988 -1.451 . . . . 7.2699999999999996 109.563 -179.99 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.438 ' CB ' ' HZ1' ' A' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.517 -0.549 . . . . 7.6600000000000001 109.517 . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 321' ' ' LYS . 48.0 mtpt 52.05 -170.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.248 -0.907 . . . . 7.5099999999999998 109.172 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 320' ' ' LYS . 48.4 tttp 107.86 -38.11 0.0 OUTLIER Pre-proline 0 N--CA 1.516 2.841 0 N-CA-C 113.793 1.034 . . . . 6.8099999999999996 113.793 179.938 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -64.18 166.98 15.35 Favored 'Trans proline' 0 C--O 1.214 -0.709 0 CA-C-N 120.885 1.352 . . . . 5.1500000000000004 109.747 -179.715 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.98 131.06 35.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 4.7000000000000002 109.335 179.871 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.96 -154.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 2.48 109.544 -179.862 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 166.3 46.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.626 -1.39 . . . . 1.0800000000000001 109.626 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -59.0 135.61 57.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.284 -1.127 . . . . 1.7 109.346 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 21.1 m-85 -94.31 149.33 21.34 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.237 -0.915 . . . . 1.04 109.739 -179.745 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.19 138.45 35.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.65000000000000002 108.83 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.7 p -94.15 165.22 12.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 1.1399999999999999 109.283 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.28 13.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.168 -0.957 . . . . 1.0900000000000001 109.935 -179.133 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -84.03 126.99 33.58 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.483 -0.932 . . . . 1.3700000000000001 108.483 179.362 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.46 117.51 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.536 -0.727 . . . . 1.1499999999999999 109.969 -179.102 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.16 155.64 32.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.603 -0.686 . . . . 2.79 109.684 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.82 2.11 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.457 -1.057 . . . . 0.45000000000000001 110.457 179.003 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.22 -42.13 14.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.428 -1.043 . . . . 3.1600000000000001 109.26 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.82 -46.71 88.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.799 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.454 HH11 ' HG3' ' A' ' 337' ' ' ARG . 18.8 ttm-85 -63.95 -39.94 95.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.191 -0.943 . . . . 3.54 109.7 -179.694 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.17 -54.43 30.84 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 0.5 109.286 179.858 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.57 -37.84 63.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.325 -0.859 . . . . 1.6599999999999999 109.741 -179.639 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.03 -49.75 71.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 1.1499999999999999 110.456 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.06 -43.16 95.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.34000000000000002 109.127 -179.607 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.64 -44.6 57.44 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 2.9399999999999999 109.468 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 tp10 -61.54 -47.32 86.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 1.74 109.703 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.9 -45.02 96.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 109.352 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.67 -50.19 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.905 . . . . 1.22 109.464 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.07 -35.82 81.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 1.72 109.802 -179.776 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.76 -58.36 8.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -0.814 . . . . 1.0700000000000001 110.268 -179.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.24 -38.82 84.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 1.0800000000000001 109.504 -179.539 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.64 -33.61 73.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 108.875 179.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.67 -52.45 57.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 1.1499999999999999 109.077 179.77 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' B' ' 343' ' ' GLU . 31.1 ttmt -62.03 -47.03 86.58 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.401 -0.812 . . . . 2.1400000000000001 109.008 179.795 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.82 -30.75 65.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.327 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -30.87 70.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.386 -0.821 . . . . 1.3 109.526 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.29 -26.18 30.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.245 -0.909 . . . . 1.4199999999999999 109.247 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.5 58.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 1.5800000000000001 109.086 179.513 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 50.52 4.39 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.564 -1.414 . . . . 1.54 109.564 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.472 ' CG ' ' H ' ' A' ' 358' ' ' GLU . 26.0 ttpp -84.02 175.53 9.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -1.168 . . . . 4.5499999999999998 109.062 179.912 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.472 ' H ' ' CG ' ' A' ' 357' ' ' LYS . 80.2 mm-40 -42.38 106.25 0.45 Allowed Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.494 -0.754 . . . . 5.71 109.957 -179.643 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.67 144.85 90.47 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 120.7 0.934 . . . . 6.0899999999999999 109.833 -179.579 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 118.054 -1.415 . . . . 7.2400000000000002 109.566 179.946 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.443 ' CB ' ' HZ1' ' B' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.429 -0.582 . . . . 7.6699999999999999 109.429 . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' B' ' 321' ' ' LYS . 48.0 mtpt 52.03 -170.69 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 7.46 109.183 -179.779 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' B' ' 320' ' ' LYS . 48.5 tttp 107.82 -38.0 0.0 OUTLIER Pre-proline 0 N--CA 1.517 2.892 0 N-CA-C 113.782 1.03 . . . . 6.79 113.782 179.858 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -64.14 166.97 15.3 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 CA-C-N 120.874 1.348 . . . . 5.1500000000000004 109.821 -179.762 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.07 131.14 35.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.234 -0.916 . . . . 4.6600000000000001 109.261 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.01 -153.97 0.09 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 2.4700000000000002 109.549 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 166.27 46.53 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.652 -1.379 . . . . 1.0600000000000001 109.652 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.92 135.55 57.61 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 1.6100000000000001 109.405 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.436 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 20.6 m-85 -94.25 149.22 21.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.234 -0.916 . . . . 0.96999999999999997 109.879 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.47 35.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -0.844 . . . . 0.59999999999999998 108.859 179.251 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.9 p -94.17 165.39 12.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -0.875 . . . . 1.1000000000000001 109.207 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.19 13.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 1.1000000000000001 109.962 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.85 126.99 33.51 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.559 -0.904 . . . . 1.3600000000000001 108.559 179.294 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 117.62 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.537 -0.727 . . . . 1.1699999999999999 109.923 -179.166 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.21 155.7 32.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.511 -0.743 . . . . 2.79 109.62 179.319 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.89 2.13 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.468 -1.053 . . . . 0.47999999999999998 110.468 178.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -85.33 -42.12 14.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.39 -1.065 . . . . 3.2200000000000002 109.293 179.444 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.77 -46.79 88.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.414 -0.804 . . . . 2.21 109.809 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.0 ttm-85 -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.213 -0.929 . . . . 3.5499999999999998 109.715 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.15 -54.46 30.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.306 -0.871 . . . . 0.52000000000000002 109.308 179.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.44 -37.99 63.11 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 109.826 -179.732 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' C' ' 340' ' ' MET . 25.2 ttp -63.97 -49.79 71.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.304 -0.873 . . . . 1.1499999999999999 110.49 -179.147 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.07 -43.05 95.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.11 -0.994 . . . . 0.33000000000000002 109.186 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.73 -44.52 58.35 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.186 -0.946 . . . . 3.02 109.465 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 tp10 -61.59 -47.29 86.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 1.75 109.685 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.98 -45.03 96.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.177 -0.952 . . . . 1.0700000000000001 109.316 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.66 -50.12 75.09 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.291 -0.881 . . . . 1.21 109.489 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.18 -35.49 80.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.859 -179.797 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.26 9.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 1.0600000000000001 110.232 -179.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.31 -38.78 84.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 1.0800000000000001 109.505 -179.546 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.64 73.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.012 . . . . 1.9299999999999999 108.931 179.196 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.7 -52.46 57.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.472 -0.767 . . . . 1.1399999999999999 109.057 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' A' ' 343' ' ' GLU . 30.9 ttmt -62.02 -47.02 86.63 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.423 -0.798 . . . . 2.1899999999999999 109.016 179.764 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -30.62 65.99 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.572 -0.705 . . . . 1.4299999999999999 109.39 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.95 71.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.319 -0.863 . . . . 1.3100000000000001 109.523 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.29 -26.13 30.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 1.3999999999999999 109.232 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.42 58.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.354 -0.841 . . . . 1.5700000000000001 109.038 179.529 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 50.58 4.38 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.41 . . . . 1.53 109.574 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.464 ' CG ' ' H ' ' B' ' 358' ' ' GLU . 26.0 ttpp -84.01 175.52 9.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.204 -1.174 . . . . 4.5800000000000001 109.06 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.464 ' H ' ' CG ' ' B' ' 357' ' ' LYS . 80.2 mm-40 -42.43 106.3 0.46 Allowed Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 5.6799999999999997 109.967 -179.648 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.63 144.9 90.77 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 120.709 0.94 . . . . 6.0499999999999998 109.791 -179.585 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.492 -1.443 . . . . 7.2000000000000002 109.492 179.924 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.449 ' CB ' ' HZ1' ' C' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.468 -0.567 . . . . 9.2200000000000006 109.468 . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' C' ' 321' ' ' LYS . 48.0 mtpt 52.04 -170.72 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.217 -0.927 . . . . 8.5099999999999998 109.196 -179.763 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' C' ' 320' ' ' LYS . 48.4 tttp 107.82 -38.03 0.0 OUTLIER Pre-proline 0 N--CA 1.516 2.873 0 N-CA-C 113.814 1.042 . . . . 7.4199999999999999 113.814 179.888 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -64.18 167.04 15.24 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 CA-C-N 120.827 1.331 . . . . 5.0499999999999998 109.815 -179.71 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.03 131.12 35.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 5.1399999999999997 109.263 179.897 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.04 -154.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.315 -0.866 . . . . 2.8500000000000001 109.583 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 166.24 46.62 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.626 -1.389 . . . . 1.27 109.626 -179.94 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.95 135.57 57.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -1.13 . . . . 2.1099999999999999 109.364 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 20.8 m-85 -94.24 149.31 21.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 1.01 109.83 -179.798 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -140.16 138.44 35.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 0.57999999999999996 108.877 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -94.17 165.3 12.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.428 -0.795 . . . . 1.1599999999999999 109.244 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.16 13.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.978 . . . . 1.1699999999999999 109.998 -179.136 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.84 126.91 33.43 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.348 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -124.44 117.52 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.523 -0.735 . . . . 1.1299999999999999 110.011 -179.117 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.13 155.69 32.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.582 -0.699 . . . . 2.8199999999999998 109.659 179.361 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.43 136.91 2.12 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.415 -1.074 . . . . 0.45000000000000001 110.415 178.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -85.31 -42.18 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.456 -1.026 . . . . 3.0800000000000001 109.245 179.418 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.78 -46.79 88.08 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.336 -0.853 . . . . 2.54 109.764 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.459 HH11 ' HG3' ' C' ' 337' ' ' ARG . 18.9 ttm-85 -63.91 -39.99 95.46 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.226 -0.921 . . . . 4.1100000000000003 109.668 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.13 -54.53 29.5 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.329 -0.857 . . . . 0.56999999999999995 109.299 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.42 -37.84 62.93 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.869 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' B' ' 340' ' ' MET . 25.3 ttp -64.03 -49.8 70.98 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.337 -0.852 . . . . 1.29 110.455 -179.142 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.05 -43.1 95.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.101 -1.0 . . . . 0.40000000000000002 109.215 -179.627 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.67 -44.5 57.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.198 -0.938 . . . . 3.8500000000000001 109.533 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 tp10 -61.52 -47.37 85.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 1.78 109.703 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.91 -45.06 96.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.227 -0.92 . . . . 1.1699999999999999 109.356 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.64 -50.22 74.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.313 -0.867 . . . . 1.2 109.463 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -35.46 80.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 2.1200000000000001 109.838 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.97 -58.36 8.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 110.253 -179.582 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.26 -38.78 84.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.232 -0.918 . . . . 1.1399999999999999 109.515 -179.518 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.63 -33.67 73.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 2.0899999999999999 108.874 179.248 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.68 -52.33 57.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.622 0.725 . . . . 1.3799999999999999 109.087 179.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.478 ' NZ ' ' OE1' ' D' ' 343' ' ' GLU . 31.0 ttmt -62.19 -46.96 86.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 2.6800000000000002 109.024 179.734 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.89 -30.63 66.01 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 1.3400000000000001 109.348 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.0 71.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 1.3 109.569 -179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.18 -26.23 31.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 1.8 109.278 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.7 -9.48 58.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 1.47 109.041 179.551 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 50.57 4.38 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.576 -1.409 . . . . 1.6599999999999999 109.576 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.462 ' CG ' ' H ' ' C' ' 358' ' ' GLU . 26.0 ttpp -84.06 175.54 9.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -1.145 . . . . 4.7800000000000002 109.047 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.462 ' H ' ' CG ' ' C' ' 357' ' ' LYS . 80.2 mm-40 -42.4 106.26 0.45 Allowed Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.526 -0.734 . . . . 6.1900000000000004 109.934 -179.647 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.68 144.83 90.39 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 C-N-CA 120.652 0.902 . . . . 6.1799999999999997 109.869 -179.622 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.522 -1.431 . . . . 6.9000000000000004 109.522 -179.989 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.452 ' CB ' ' HZ1' ' D' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.409 -0.589 . . . . 7.6900000000000004 109.409 . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' D' ' 321' ' ' LYS . 48.1 mtpt 52.1 -170.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 7.4500000000000002 109.104 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' D' ' 320' ' ' LYS . 48.4 tttp 107.83 -38.01 0.0 OUTLIER Pre-proline 0 N--CA 1.517 2.879 0 N-CA-C 113.79 1.033 . . . . 6.8399999999999999 113.79 179.887 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' D' ' 321' ' ' LYS . 2.3 Cg_endo -64.2 166.95 15.5 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 CA-C-N 120.81 1.325 . . . . 5.1200000000000001 109.728 -179.714 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.0 131.06 35.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.23 -0.919 . . . . 4.6600000000000001 109.265 179.936 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.02 -153.91 0.09 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 2.46 109.566 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.72 166.4 46.56 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 1.0800000000000001 109.557 -179.851 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.03 135.55 57.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -1.161 . . . . 1.6699999999999999 109.303 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 21.2 m-85 -94.33 149.29 21.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.276 -0.89 . . . . 1.01 109.783 -179.811 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.55 35.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.375 -0.828 . . . . 0.63 108.805 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -94.33 165.2 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.38 -0.825 . . . . 1.1299999999999999 109.209 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.23 13.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 1.1000000000000001 109.992 -179.099 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.89 126.96 33.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 1.3700000000000001 108.542 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.5 117.45 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.472 -0.768 . . . . 1.1499999999999999 110.044 -179.139 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.06 155.64 32.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.598 -0.689 . . . . 2.77 109.675 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.37 136.93 2.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.442 -1.063 . . . . 0.42999999999999999 110.442 179.025 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.27 -42.22 14.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.385 -1.068 . . . . 3.1200000000000001 109.199 179.478 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.73 -46.75 88.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.816 -179.753 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.45 ' HG3' HH11 ' D' ' 337' ' ' ARG . 18.5 ttm-85 -63.96 -39.92 95.23 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.138 -0.977 . . . . 3.5 109.741 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.16 -54.41 31.05 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.299 -0.876 . . . . 0.5 109.338 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -53.51 -37.89 63.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.307 -0.87 . . . . 1.6899999999999999 109.783 -179.674 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.95 -49.84 70.99 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.319 -0.863 . . . . 1.1399999999999999 110.46 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.05 -43.15 95.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.026 -1.046 . . . . 0.32000000000000001 109.13 -179.56 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -50.62 -44.61 57.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.127 -0.983 . . . . 2.96 109.473 179.955 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.478 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 tp10 -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.182 -0.949 . . . . 1.75 109.725 -179.935 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.96 -45.0 96.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.33 -0.856 . . . . 1.0800000000000001 109.292 -179.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.64 -50.18 74.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 1.22 109.421 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.333 -0.854 . . . . 1.73 109.836 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.84 -58.33 8.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 1.0700000000000001 110.25 -179.528 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.3 -38.83 84.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.11 -0.994 . . . . 1.1100000000000001 109.485 -179.49 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.65 73.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.052 -1.03 . . . . 1.9099999999999999 108.886 179.238 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.76 -52.34 57.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.539 -0.726 . . . . 1.1699999999999999 109.054 179.794 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' C' ' 343' ' ' GLU . 31.1 ttmt -62.12 -47.01 86.51 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.384 -0.823 . . . . 2.1499999999999999 109.013 179.775 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.87 -30.62 65.98 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.583 -0.698 . . . . 1.4399999999999999 109.358 179.756 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.97 71.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 1.3 109.52 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.23 -26.1 31.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 1.3999999999999999 109.323 179.828 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.77 -9.47 58.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.225 -0.922 . . . . 1.6000000000000001 109.117 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.23 50.55 4.39 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.613 -1.395 . . . . 1.5 109.613 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.47 ' CG ' ' H ' ' D' ' 358' ' ' GLU . 26.0 ttpp -83.99 175.5 9.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.19 -1.182 . . . . 4.5499999999999998 109.052 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.47 ' H ' ' CG ' ' D' ' 357' ' ' LYS . 80.2 mm-40 -42.4 106.2 0.45 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.523 -0.736 . . . . 5.6699999999999999 109.952 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -63.56 144.83 90.99 Favored 'Trans proline' 0 C--O 1.215 -0.674 0 C-N-CA 120.703 0.935 . . . . 6.1200000000000001 109.82 -179.596 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 118.024 -1.431 . . . . 7.2699999999999996 109.559 179.91 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.445 -0.576 . . . . 7.6600000000000001 109.445 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt 54.41 -101.37 0.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.457 -0.777 . . . . 7.5099999999999998 110.008 -179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 51.2 pttt 37.8 64.29 3.18 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.763 -0.585 . . . . 6.8099999999999996 110.643 -179.417 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.464 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.1 Cg_endo -63.4 93.4 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 121.448 1.432 . . . . 5.1500000000000004 110.708 -179.482 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.27 23.0 0.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.603 -0.888 . . . . 4.7000000000000002 108.603 179.068 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 322' ' ' PRO . 0.9 OUTLIER -78.95 -77.37 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.702 -0.624 . . . . 2.48 110.346 -179.045 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -65.62 125.47 28.57 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.873 -1.291 . . . . 1.0800000000000001 109.873 -179.15 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.16 140.11 58.44 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.866 -0.785 . . . . 1.7 109.68 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -94.09 149.72 20.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.278 -0.889 . . . . 1.04 108.988 179.61 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.43 -169.54 2.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.193 -0.942 . . . . 0.65000000000000002 109.546 -179.633 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.21 150.9 31.14 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.271 -1.011 . . . . 1.1399999999999999 108.271 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -144.07 133.5 23.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.29 -0.881 . . . . 1.0900000000000001 109.859 -178.368 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.53 128.01 34.36 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.553 -0.906 . . . . 1.3700000000000001 108.553 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.7 mt -123.23 112.92 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.33 -0.856 . . . . 1.1499999999999999 109.082 -179.479 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.498 HH21 ' H ' ' C' ' 325' ' ' GLY . 33.2 ttt-85 -74.45 153.61 39.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.537 -0.727 . . . . 2.79 109.635 -179.788 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.71 130.04 1.17 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.949 -1.26 . . . . 0.45000000000000001 109.949 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.32 -43.6 32.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.398 -1.06 . . . . 3.1600000000000001 109.286 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.87 -44.93 82.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 108.936 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -64.01 -42.22 97.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.377 -0.827 . . . . 3.54 109.234 179.684 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.46 -55.78 25.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.611 -0.68 . . . . 0.5 109.639 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.89 -40.42 60.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.722 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.18 -51.12 67.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.339 -0.851 . . . . 1.1499999999999999 110.08 -179.434 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.2 -48.39 81.72 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.189 -0.944 . . . . 0.34000000000000002 109.086 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.13 -41.59 60.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 2.9399999999999999 109.547 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.07 -47.79 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.197 -0.939 . . . . 1.74 109.622 -179.639 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.9 -34.86 75.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 108.636 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.1 -57.85 11.25 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.441 -0.787 . . . . 1.22 109.477 179.559 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.47 -34.78 78.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 1.72 110.118 -179.736 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.38 22.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 110.145 -179.21 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.93 -42.85 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.093 -1.004 . . . . 1.0800000000000001 109.513 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.99 -35.1 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 109.174 179.639 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.62 -48.63 74.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.1499999999999999 109.562 -179.882 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.04 -40.4 97.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.371 -0.831 . . . . 2.1400000000000001 108.864 179.553 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -56.28 -34.18 66.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.452 179.645 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.51 77.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.826 . . . . 1.3 109.863 -179.908 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.85 -4.53 55.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 1.4199999999999999 109.532 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.38 -88.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.189 -0.944 . . . . 1.5800000000000001 109.314 179.784 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.56 101.7 1.42 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.466 -1.453 . . . . 1.54 109.466 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.47 ' CB ' ' HZ1' ' A' ' 357' ' ' LYS . 7.5 ttpm? -86.2 141.38 29.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.281 -1.129 . . . . 4.5499999999999998 109.417 -179.956 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -47.71 110.35 1.34 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.456 -0.778 . . . . 5.71 109.355 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.69 141.94 96.42 Favored 'Trans proline' 0 C--O 1.216 -0.614 0 C-N-CA 120.73 0.953 . . . . 6.0899999999999999 110.2 -179.71 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.354 -1.498 . . . . 7.2400000000000002 109.354 179.874 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.407 -0.59 . . . . 7.6699999999999999 109.407 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' B' ' 321' ' ' LYS . 59.9 mmtt 54.53 -101.53 0.13 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.411 -0.805 . . . . 7.46 109.965 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 320' ' ' LYS . 51.1 pttt 37.97 64.21 3.31 Favored Pre-proline 0 N--CA 1.502 2.147 0 O-C-N 121.786 -0.571 . . . . 6.79 110.577 -179.501 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.462 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.1 Cg_endo -63.42 93.54 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.336 1.357 . . . . 5.1500000000000004 110.744 -179.5 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.31 22.89 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.59 -0.892 . . . . 4.6600000000000001 108.59 179.119 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' B' ' 322' ' ' PRO . 0.9 OUTLIER -78.86 -78.98 0.14 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.714 -0.616 . . . . 2.4700000000000002 110.119 -179.155 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.487 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -63.23 125.32 33.88 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 110.035 -1.226 . . . . 1.0600000000000001 110.035 -179.41 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.41 140.25 58.56 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.715 -0.873 . . . . 1.6100000000000001 109.716 179.74 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -93.97 149.84 20.88 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.265 -0.897 . . . . 0.96999999999999997 109.088 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.66 -169.58 2.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.323 -0.861 . . . . 0.59999999999999998 109.548 -179.605 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -151.31 150.6 30.72 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.25 -1.019 . . . . 1.1000000000000001 108.25 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.8 tp -143.81 133.5 23.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.233 -0.917 . . . . 1.1000000000000001 109.883 -178.404 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -84.38 127.99 34.32 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.091 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.29 112.88 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.36 -0.838 . . . . 1.1699999999999999 109.066 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.465 HH21 ' H ' ' D' ' 325' ' ' GLY . 33.9 ttt-85 -74.36 153.57 39.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.461 -0.774 . . . . 2.79 109.713 -179.847 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.64 130.08 1.15 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.935 -1.266 . . . . 0.47999999999999998 109.935 179.797 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.35 -43.59 32.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.42 -1.047 . . . . 3.2200000000000002 109.279 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.93 -44.82 82.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.264 -0.897 . . . . 2.21 108.934 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 3.5499999999999998 109.238 179.67 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.42 -55.83 24.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.58 -0.7 . . . . 0.52000000000000002 109.631 -179.962 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.88 -40.44 60.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.75 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.2 -51.02 68.0 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.329 -0.857 . . . . 1.1499999999999999 110.155 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -48.41 81.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.191 -0.943 . . . . 0.33000000000000002 109.038 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -51.08 -41.73 60.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 3.02 109.568 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.94 -47.91 83.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.129 -0.982 . . . . 1.75 109.658 -179.688 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.83 -34.88 75.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 108.664 179.673 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.16 -57.73 11.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.39 -0.819 . . . . 1.21 109.439 179.599 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.66 -34.6 78.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 110.103 -179.673 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.18 -56.42 22.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 1.0600000000000001 110.122 -179.272 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.87 -42.68 98.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 1.0800000000000001 109.61 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.14 -35.07 74.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.159 179.666 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.5 -48.72 74.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.378 -0.826 . . . . 1.1399999999999999 109.435 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.12 -40.36 97.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 2.1899999999999999 108.901 179.647 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -56.32 -34.14 66.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.385 179.637 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -43.48 77.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.3 -0.875 . . . . 1.3100000000000001 109.891 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.86 -4.58 55.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 1.3999999999999999 109.557 -179.843 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -88.8 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 1.5700000000000001 109.317 179.765 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.48 101.62 1.41 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.469 -1.452 . . . . 1.53 109.469 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.463 ' CB ' ' HZ1' ' B' ' 357' ' ' LYS . 7.5 ttpm? -86.21 141.43 29.33 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.28 -1.129 . . . . 4.5800000000000001 109.421 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -47.69 110.32 1.33 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.415 -0.803 . . . . 5.6799999999999997 109.385 179.92 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.67 141.98 96.56 Favored 'Trans proline' 0 C--O 1.215 -0.627 0 C-N-CA 120.708 0.939 . . . . 6.0499999999999998 110.147 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.412 -1.475 . . . . 7.2000000000000002 109.412 179.82 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.441 -0.577 . . . . 9.2200000000000006 109.441 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' C' ' 321' ' ' LYS . 60.0 mmtt 54.45 -101.48 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.466 -0.772 . . . . 8.5099999999999998 109.976 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' C' ' 320' ' ' LYS . 51.2 pttt 37.9 64.22 3.26 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.807 -0.558 . . . . 7.4199999999999999 110.632 -179.429 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.1 Cg_endo -63.35 93.47 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.381 1.387 . . . . 5.0499999999999998 110.766 -179.51 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.31 22.95 0.63 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.625 -0.88 . . . . 5.1399999999999997 108.625 179.074 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' C' ' 322' ' ' PRO . 0.9 OUTLIER -78.9 -77.92 0.16 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.631 -0.668 . . . . 2.8500000000000001 110.373 -179.172 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.498 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -64.84 125.42 30.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.876 -1.29 . . . . 1.27 109.876 -179.232 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.16 140.21 58.44 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.822 -0.81 . . . . 2.1099999999999999 109.653 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -94.05 149.65 21.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.256 -0.902 . . . . 1.01 109.087 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.37 -169.46 2.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -0.878 . . . . 0.57999999999999996 109.524 -179.625 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.38 150.49 30.53 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.374 -0.973 . . . . 1.1599999999999999 108.374 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.7 tp -143.77 133.5 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 109.919 -178.361 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -84.42 127.99 34.33 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.539 -0.912 . . . . 1.8100000000000001 108.539 179.179 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.28 113.1 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.38 -0.825 . . . . 1.1299999999999999 109.022 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 34.1 ttt-85 -74.64 153.71 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.532 -0.73 . . . . 2.8199999999999998 109.578 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.68 130.03 1.16 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.929 -1.268 . . . . 0.45000000000000001 109.929 179.747 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.28 -43.6 32.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 3.0800000000000001 109.341 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.93 -44.67 82.69 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.241 -0.912 . . . . 2.54 108.98 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.284 -0.885 . . . . 4.1100000000000003 109.157 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.44 -55.83 24.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.567 -0.708 . . . . 0.56999999999999995 109.564 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.91 -40.47 60.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -0.849 . . . . 1.6599999999999999 109.718 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.191 -0.943 . . . . 1.29 110.122 -179.497 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.24 -48.35 81.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.143 -0.973 . . . . 0.40000000000000002 109.039 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.13 -41.73 60.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 3.8500000000000001 109.555 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.97 -47.86 83.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 1.78 109.666 -179.654 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.83 -34.92 75.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 108.636 179.619 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.18 -57.74 11.69 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.476 -0.765 . . . . 1.2 109.484 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.65 -34.58 78.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.826 . . . . 2.1200000000000001 110.137 -179.754 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.45 21.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 1.0700000000000001 110.178 -179.298 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.84 -42.88 98.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.095 -1.003 . . . . 1.1399999999999999 109.481 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.98 -35.09 74.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.162 179.682 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -48.66 74.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.898 . . . . 1.3799999999999999 109.415 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.0 -40.53 98.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 2.6800000000000002 108.894 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.23 -34.15 66.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.574 -0.703 . . . . 1.3400000000000001 109.446 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.59 76.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 1.3 109.781 -179.864 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.82 -4.56 55.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.316 -0.865 . . . . 1.8 109.523 -179.779 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -88.9 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.47 109.321 179.765 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.49 101.68 1.41 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.586 -1.406 . . . . 1.6599999999999999 109.586 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.462 ' HZ1' ' CB ' ' C' ' 357' ' ' LYS . 7.5 ttpm? -86.1 141.35 29.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.245 -1.15 . . . . 4.7800000000000002 109.467 -179.963 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -47.74 110.31 1.34 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 6.1900000000000004 109.33 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.66 141.84 96.2 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 120.765 0.976 . . . . 6.1799999999999997 110.161 -179.72 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.419 -1.472 . . . . 6.9000000000000004 109.419 179.839 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.37 -0.604 . . . . 7.6900000000000004 109.37 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' D' ' 321' ' ' LYS . 60.1 mmtt 54.65 -101.46 0.13 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.458 -0.777 . . . . 7.4500000000000002 110.012 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' D' ' 320' ' ' LYS . 51.2 pttt 37.86 64.25 3.23 Favored Pre-proline 0 N--CA 1.503 2.204 0 O-C-N 121.798 -0.564 . . . . 6.8399999999999999 110.567 -179.488 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.1 Cg_endo -63.36 93.49 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.098 0 C-N-CA 121.384 1.389 . . . . 5.1200000000000001 110.674 -179.503 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.42 23.02 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.568 -0.901 . . . . 4.6600000000000001 108.568 179.058 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' D' ' 322' ' ' PRO . 0.9 OUTLIER -78.95 -77.95 0.16 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.762 -0.586 . . . . 2.46 110.3 -179.165 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.465 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -64.77 125.39 30.58 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.94 -1.264 . . . . 1.0800000000000001 109.94 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.22 140.23 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.723 -0.869 . . . . 1.6699999999999999 109.646 -179.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -94.01 149.92 20.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 1.01 109.034 179.535 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.74 -169.6 2.58 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.332 -0.855 . . . . 0.63 109.54 -179.627 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.28 150.57 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.341 -0.985 . . . . 1.1299999999999999 108.341 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -143.82 133.53 23.74 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 1.1000000000000001 109.909 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.39 127.89 34.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.612 -0.885 . . . . 1.3700000000000001 108.612 179.139 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.2 mt -123.23 112.91 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -0.795 . . . . 1.1499999999999999 109.11 -179.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.487 HH21 ' H ' ' B' ' 325' ' ' GLY . 33.1 ttt-85 -74.33 153.7 39.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.521 -0.737 . . . . 2.77 109.758 -179.843 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 130.12 1.13 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.989 -1.245 . . . . 0.42999999999999999 109.989 179.831 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.39 -43.45 32.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.356 -1.085 . . . . 3.1200000000000001 109.333 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.9 -45.06 82.85 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.173 -0.954 . . . . 2.2200000000000002 108.914 179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.87 -42.26 97.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.419 -0.8 . . . . 3.5 109.278 179.654 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -54.43 -55.83 24.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.608 -0.683 . . . . 0.5 109.561 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.94 -40.43 60.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.368 -0.833 . . . . 1.6899999999999999 109.752 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.13 -51.06 67.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 110.177 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.971 . . . . 0.32000000000000001 109.005 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.16 -41.64 60.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -0.848 . . . . 2.96 109.498 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.02 -47.86 83.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 1.75 109.64 -179.667 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.78 -34.94 75.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 108.68 179.624 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.12 -57.69 11.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.5 -0.75 . . . . 1.22 109.509 179.547 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.58 -35.01 79.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.73 110.101 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -56.82 -56.44 21.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.925 . . . . 1.0700000000000001 110.226 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.91 -42.82 98.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 1.1100000000000001 109.54 -179.692 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.99 -35.14 74.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.93 . . . . 1.9099999999999999 109.17 179.629 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.59 -48.65 74.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.865 . . . . 1.1699999999999999 109.599 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.09 -40.33 97.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 2.1499999999999999 108.867 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.23 -34.28 66.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.512 -0.742 . . . . 1.4399999999999999 109.4 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.54 77.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 1.3 109.824 -179.876 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.88 -4.44 54.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 1.3999999999999999 109.619 -179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.39 -88.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 1.6000000000000001 109.312 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.54 101.76 1.43 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.533 -1.427 . . . . 1.5 109.533 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.457 ' CB ' ' HZ1' ' D' ' 357' ' ' LYS . 7.5 ttpm? -86.26 141.41 29.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.283 -1.127 . . . . 4.5499999999999998 109.459 -179.939 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -47.77 110.33 1.35 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 5.6699999999999999 109.364 -179.995 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.62 141.99 96.67 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 C-N-CA 120.755 0.97 . . . . 6.1200000000000001 110.133 -179.701 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.436 -1.466 . . . . 7.2699999999999996 109.436 179.833 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 320' ' ' LYS . 54.4 mttp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.391 -0.596 . . . . 7.6600000000000001 109.391 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 319' ' ' LYS . 70.5 tttt 57.58 109.04 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 7.5099999999999998 109.719 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 57.07 77.51 0.41 Allowed Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 6.8099999999999996 109.272 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.8 -32.74 92.64 Favored 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.424 1.416 . . . . 5.1500000000000004 110.196 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.99 97.2 7.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.267 -0.896 . . . . 4.7000000000000002 108.762 179.451 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.482 ' CB ' ' HE ' ' C' ' 333' ' ' ARG . 2.7 m-20 -81.45 -148.14 0.07 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 2.48 109.958 -179.449 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 176.34 29.73 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.737 -1.345 . . . . 1.0800000000000001 109.737 -179.775 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.39 137.14 58.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.39 -1.065 . . . . 1.7 109.653 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 36.2 m-85 -96.37 152.81 18.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.319 -0.863 . . . . 1.04 109.599 179.84 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.53 133.45 30.85 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.484 -0.932 . . . . 0.65000000000000002 108.484 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -92.82 165.17 13.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.403 -0.81 . . . . 1.1399999999999999 109.317 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.67 130.88 15.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.243 -0.911 . . . . 1.0900000000000001 109.659 -179.714 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.527 HE22 ' C ' ' A' ' 332' ' ' ILE . 3.4 tm0? -86.31 129.72 34.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.453 -0.779 . . . . 1.3700000000000001 109.432 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.527 ' C ' HE22 ' A' ' 331' ' ' GLN . 58.1 mt -124.21 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.572 -0.705 . . . . 1.1499999999999999 109.313 -179.854 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.521 ' N ' HE22 ' A' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.42 28.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 2.79 109.521 179.886 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.7 136.55 5.98 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 110.099 -1.2 . . . . 0.45000000000000001 110.099 179.174 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.4 -50.26 12.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.39 -1.065 . . . . 3.1600000000000001 108.99 179.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.39 -39.61 76.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.2200000000000002 108.808 179.509 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.58 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.18 84.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.308 -0.87 . . . . 3.54 109.375 179.739 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.78 -58.01 9.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.672 -0.642 . . . . 0.5 109.888 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.28 -39.69 46.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.354 -0.841 . . . . 1.6599999999999999 110.12 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.18 -54.61 30.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.064 -1.023 . . . . 1.1499999999999999 110.427 -179.205 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.12 -46.33 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.013 -1.055 . . . . 0.34000000000000002 108.962 -179.684 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.47 -42.19 54.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.236 -0.915 . . . . 2.9399999999999999 109.327 179.787 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -60.08 -54.12 49.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 1.74 109.943 -179.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.04 -39.39 85.75 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.148 -0.97 . . . . 1.0700000000000001 108.691 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.412 ' O ' ' CD ' ' A' ' 349' ' ' GLU . 21.0 t-20 -58.35 -57.08 14.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.36 -0.838 . . . . 1.22 109.37 179.572 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.04 -33.88 71.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 1.72 109.826 -179.7 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.04 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.727 -179.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -50.14 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.371 -0.83 . . . . 1.0800000000000001 109.857 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 345' ' ' ASN . 3.3 mp0 -58.03 -33.19 68.72 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.124 -0.985 . . . . 1.9099999999999999 109.434 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.91 -52.92 53.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 1.1499999999999999 109.075 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.8 -45.4 94.02 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.37 -0.831 . . . . 2.1400000000000001 108.948 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.38 179.645 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -27.94 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 1.3 109.281 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.88 -20.32 30.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 1.4199999999999999 109.415 179.857 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -22.0 60.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.252 -0.905 . . . . 1.5800000000000001 109.335 179.84 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -7.8 81.35 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.446 -1.461 . . . . 1.54 109.446 179.971 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.06 33.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -1.155 . . . . 4.5499999999999998 109.393 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.43 151.34 3.95 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.388 -0.82 . . . . 5.71 109.463 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.2 -81.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.25 1.3 . . . . 6.0899999999999999 110.051 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 118.012 -1.438 . . . . 7.2400000000000002 109.56 -179.735 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' B' ' 320' ' ' LYS . 54.3 mttp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.5 -0.555 . . . . 7.6699999999999999 109.5 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' B' ' 319' ' ' LYS . 70.6 tttt 57.53 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.377 -0.827 . . . . 7.46 109.678 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 57.11 77.42 0.42 Allowed Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 121.369 -0.832 . . . . 6.79 109.273 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.62 -32.79 91.57 Favored 'Trans proline' 0 C--N 1.323 -0.808 0 C-N-CA 121.43 1.42 . . . . 5.1500000000000004 110.305 -179.198 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -82.07 97.21 8.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.234 -0.916 . . . . 4.6600000000000001 108.798 179.441 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.487 ' CB ' ' HE ' ' D' ' 333' ' ' ARG . 2.6 m-20 -81.53 -148.29 0.07 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 2.4700000000000002 109.927 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.79 176.28 29.31 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.75 -1.34 . . . . 1.0600000000000001 109.75 -179.741 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.21 137.09 58.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.334 -1.098 . . . . 1.6100000000000001 109.624 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 36.6 m-85 -96.43 152.8 18.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.34 -0.85 . . . . 0.96999999999999997 109.586 179.754 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.49 133.41 30.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.277 -0.889 . . . . 0.59999999999999998 108.608 178.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -92.78 165.16 13.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 1.1000000000000001 109.315 -179.85 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.69 130.82 15.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.668 -179.721 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.532 HE22 ' N ' ' B' ' 333' ' ' ARG . 3.4 tm0? -86.2 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.506 179.896 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.524 ' C ' HE22 ' B' ' 331' ' ' GLN . 57.8 mt -124.24 107.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.601 -0.687 . . . . 1.1699999999999999 109.379 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.532 ' N ' HE22 ' B' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.36 28.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 2.79 109.522 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.74 136.4 5.94 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 110.068 -1.213 . . . . 0.47999999999999998 110.068 179.181 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.35 -50.22 12.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -1.051 . . . . 3.2200000000000002 108.992 179.631 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.45 -39.57 76.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.128 -0.983 . . . . 2.21 108.811 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.569 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.4 -41.27 84.52 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.298 -0.876 . . . . 3.5499999999999998 109.383 179.671 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.78 -58.04 9.83 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.619 -0.675 . . . . 0.52000000000000002 109.829 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.26 -39.77 45.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 1.6799999999999999 110.06 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.2 -54.55 31.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.086 -1.008 . . . . 1.1499999999999999 110.413 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.04 -46.36 91.02 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.117 -0.989 . . . . 0.33000000000000002 108.976 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.46 -42.22 54.04 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.277 -0.889 . . . . 3.02 109.341 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.0 -54.26 48.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 1.75 109.905 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.96 -39.43 85.58 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.205 -0.934 . . . . 1.0700000000000001 108.707 179.884 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.41 ' O ' ' CD ' ' B' ' 349' ' ' GLU . 20.9 t-20 -58.39 -56.97 15.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.322 -0.861 . . . . 1.21 109.373 179.57 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.18 -33.79 71.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 109.716 -179.703 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.0 83.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.201 -0.937 . . . . 1.0600000000000001 109.702 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.35 -49.92 73.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 1.0800000000000001 109.896 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 345' ' ' ASN . 3.3 mp0 -58.15 -33.24 68.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.133 -0.979 . . . . 1.9299999999999999 109.381 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.84 -53.07 52.48 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.183 -0.948 . . . . 1.1399999999999999 109.023 179.8 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.66 -45.4 94.19 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.351 -0.843 . . . . 2.1899999999999999 109.007 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.87 -35.75 66.85 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.325 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -27.91 67.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 1.3100000000000001 109.328 179.964 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.84 -20.31 31.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 1.3999999999999999 109.475 179.788 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.67 -22.02 60.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.269 -0.894 . . . . 1.5700000000000001 109.33 179.802 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.54 -7.92 81.34 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.46 -1.456 . . . . 1.53 109.46 179.956 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.06 33.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.29 -1.123 . . . . 4.5800000000000001 109.431 -179.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.35 151.31 3.87 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 5.6799999999999997 109.407 -179.263 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.23 -81.07 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.184 1.256 . . . . 6.0499999999999998 110.193 179.235 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.972 -1.46 . . . . 7.2000000000000002 109.583 -179.819 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' C' ' 320' ' ' LYS . 54.5 mttp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.462 -0.57 . . . . 9.2200000000000006 109.462 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' C' ' 319' ' ' LYS . 70.7 tttt 57.54 109.04 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.34 -0.85 . . . . 8.5099999999999998 109.772 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 35.0 tttm 57.17 77.51 0.41 Allowed Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.404 -0.81 . . . . 7.4199999999999999 109.242 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.78 -32.84 92.83 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.469 1.446 . . . . 5.0499999999999998 110.221 -179.138 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.86 97.21 7.91 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 5.1399999999999997 108.783 179.418 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.464 ' CB ' ' HE ' ' A' ' 333' ' ' ARG . 2.7 m-20 -81.5 -148.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.507 -0.746 . . . . 2.8500000000000001 109.981 -179.488 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.86 176.2 29.75 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.78 -1.328 . . . . 1.27 109.78 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.22 137.16 58.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.11 . . . . 2.1099999999999999 109.688 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 36.2 m-85 -96.47 152.71 18.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.268 -0.895 . . . . 1.01 109.63 179.841 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.39 133.32 30.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.925 . . . . 0.57999999999999996 108.592 179.021 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.3 p -92.65 165.01 13.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.408 -0.808 . . . . 1.1599999999999999 109.385 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.6 130.95 15.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.363 -0.836 . . . . 1.1699999999999999 109.65 -179.766 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.528 HE22 ' N ' ' C' ' 333' ' ' ARG . 3.4 tm0? -86.33 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.745 . . . . 1.8100000000000001 109.446 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.512 ' C ' HE22 ' C' ' 331' ' ' GLN . 57.8 mt -124.31 107.52 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 121.572 -0.705 . . . . 1.1299999999999999 109.31 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.528 ' N ' HE22 ' C' ' 331' ' ' GLN . 0.3 OUTLIER -74.97 125.47 28.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.811 . . . . 2.8199999999999998 109.461 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.45 5.99 Favored Glycine 0 N--CA 1.501 3.019 0 N-CA-C 110.104 -1.198 . . . . 0.45000000000000001 110.104 179.167 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.18 12.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.497 -1.002 . . . . 3.0800000000000001 109.037 179.675 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' C' ' 336' ' ' GLU . 1.5 mp0 -57.47 -39.64 76.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 2.54 108.749 179.516 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.581 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.37 -41.31 84.46 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.211 -0.931 . . . . 4.1100000000000003 109.374 179.733 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -56.65 -58.05 9.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.645 -0.659 . . . . 0.56999999999999995 109.902 -179.801 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.32 -39.73 46.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.989 -179.474 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.16 -54.61 31.07 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.134 -0.979 . . . . 1.29 110.387 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.13 -46.38 90.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.03 -1.044 . . . . 0.40000000000000002 108.907 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.32 -42.26 52.42 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.283 -0.886 . . . . 3.8500000000000001 109.347 179.73 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -60.02 -54.24 48.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 1.78 109.838 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 108.752 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.402 ' O ' ' CD ' ' C' ' 349' ' ' GLU . 21.0 t-20 -58.4 -57.0 14.83 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 1.2 109.386 179.474 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.13 -33.79 71.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.1200000000000001 109.77 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.83 84.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.671 -179.724 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.42 -49.9 73.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 1.1399999999999999 109.92 -179.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' C' ' 345' ' ' ASN . 3.3 mp0 -58.16 -33.23 68.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.098 -1.001 . . . . 2.0899999999999999 109.408 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.91 -53.01 53.27 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.12 -0.988 . . . . 1.3799999999999999 109.026 179.853 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.77 -45.3 94.47 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.425 -0.797 . . . . 2.6800000000000002 108.995 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.85 -35.8 66.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.578 -0.702 . . . . 1.3400000000000001 109.337 179.636 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -27.93 67.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 1.3 109.3 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.86 -20.33 30.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.165 -0.959 . . . . 1.8 109.417 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.03 60.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 1.47 109.322 179.828 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.8 81.39 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.482 -1.447 . . . . 1.6599999999999999 109.482 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.08 33.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.23 -1.159 . . . . 4.7800000000000002 109.421 -179.913 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.39 151.4 3.86 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 6.1900000000000004 109.424 -179.299 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.41 -81.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 121.199 1.266 . . . . 6.1799999999999997 110.1 179.364 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.94 -1.478 . . . . 6.9000000000000004 109.521 -179.834 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 320' ' ' LYS . 54.4 mttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.494 -0.558 . . . . 7.6900000000000004 109.494 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 319' ' ' LYS . 70.5 tttt 57.47 109.02 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 7.4500000000000002 109.799 179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 35.0 tttm 57.19 77.48 0.41 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.484 -0.76 . . . . 6.8399999999999999 109.209 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -56.77 -32.83 92.69 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.475 1.45 . . . . 5.1200000000000001 110.248 -179.174 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.0 mt -81.88 97.2 7.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.93 . . . . 4.6600000000000001 108.817 179.372 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.45 ' CB ' ' HE ' ' B' ' 333' ' ' ARG . 2.6 m-20 -81.44 -148.26 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.769 . . . . 2.46 109.916 -179.466 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.86 176.16 29.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.823 -1.311 . . . . 1.0800000000000001 109.823 -179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.15 137.15 58.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -1.099 . . . . 1.6699999999999999 109.696 -179.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 36.8 m-85 -96.49 152.7 18.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 1.01 109.613 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.43 133.37 30.9 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.57 -0.9 . . . . 0.63 108.57 178.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.5 p -92.72 165.1 13.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.433 -0.792 . . . . 1.1299999999999999 109.294 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.59 130.9 15.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 1.1000000000000001 109.62 -179.681 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.529 HE22 ' N ' ' D' ' 333' ' ' ARG . 3.4 tm0? -86.39 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.3700000000000001 109.43 179.883 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.514 ' C ' HE22 ' D' ' 331' ' ' GLN . 57.7 mt -124.24 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.542 -0.724 . . . . 1.1499999999999999 109.333 -179.863 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.529 ' N ' HE22 ' D' ' 331' ' ' GLN . 0.3 OUTLIER -74.86 125.39 28.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 2.77 109.531 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.55 136.5 6.0 Favored Glycine 0 N--CA 1.501 3.023 0 N-CA-C 110.121 -1.191 . . . . 0.42999999999999999 110.121 179.166 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.3 12.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -1.05 . . . . 3.1200000000000001 108.969 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.39 -39.61 76.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.798 179.556 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.579 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.15 84.5 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.189 -0.944 . . . . 3.5 109.412 179.69 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -56.83 -58.03 9.88 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.695 -0.628 . . . . 0.5 109.818 -179.785 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.3 -39.68 46.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 110.037 -179.493 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.5 ttp -64.24 -54.49 32.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.047 -1.033 . . . . 1.1399999999999999 110.443 -179.196 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.25 -46.17 91.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.097 -1.002 . . . . 0.32000000000000001 108.955 -179.691 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.54 -42.14 54.89 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.353 -0.842 . . . . 2.96 109.33 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.16 -54.11 49.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.935 . . . . 1.75 109.885 -179.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.07 -39.42 85.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 108.688 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.401 ' O ' ' CD ' ' D' ' 349' ' ' GLU . 20.9 t-20 -58.37 -56.99 14.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.292 -0.88 . . . . 1.22 109.314 179.6 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.26 -33.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 1.73 109.8 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.91 83.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.179 -0.95 . . . . 1.0700000000000001 109.686 -179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.38 -49.96 73.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.45 -0.782 . . . . 1.1100000000000001 109.882 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' D' ' 345' ' ' ASN . 3.3 mp0 -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.093 -1.005 . . . . 1.9099999999999999 109.374 -179.625 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.86 -52.99 53.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 109.076 179.843 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.78 -45.27 94.62 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.847 . . . . 2.1499999999999999 109.029 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -55.98 -35.74 67.08 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.49 -0.756 . . . . 1.4399999999999999 109.36 179.674 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.88 67.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.3 109.265 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -84.82 -20.33 31.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.3999999999999999 109.454 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.68 -21.95 60.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.256 -0.902 . . . . 1.6000000000000001 109.329 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -7.85 81.42 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.479 -1.448 . . . . 1.5 109.479 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 124.94 33.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.304 -1.115 . . . . 4.5499999999999998 109.462 -179.873 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.36 151.38 3.84 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 5.6699999999999999 109.418 -179.243 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.3 -81.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 121.145 1.23 . . . . 6.1200000000000001 110.128 179.328 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.436 0 CA-C-O 117.967 -1.463 . . . . 7.2699999999999996 109.537 -179.692 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.457 -0.571 . . . . 7.6600000000000001 109.457 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 319' ' ' LYS . 18.0 mtpp 59.12 153.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 7.5099999999999998 109.53 -179.836 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 323' ' ' LEU . 63.7 mttm 52.11 69.82 2.24 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 6.8099999999999996 109.485 -179.691 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.39 24.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 121.825 1.683 . . . . 5.1500000000000004 110.583 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.585 ' H ' ' C ' ' A' ' 321' ' ' LYS . 4.1 mm? -79.9 11.72 3.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.943 -1.098 . . . . 4.7000000000000002 109.408 -179.874 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.45 -150.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 2.48 109.306 179.858 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 147.37 46.58 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.423 -1.471 . . . . 1.0800000000000001 109.423 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.67 142.31 53.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -1.106 . . . . 1.7 109.38 -179.941 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.66 153.5 18.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 1.04 109.297 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -139.63 -171.86 3.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.345 -0.847 . . . . 0.65000000000000002 109.249 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -152.27 149.41 28.66 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 108.927 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.67 132.66 24.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.327 -0.858 . . . . 1.0900000000000001 109.736 -178.844 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -85.47 128.36 34.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -124.12 118.36 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.54 -0.725 . . . . 1.1499999999999999 109.492 -179.773 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.1 149.77 37.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.496 -0.753 . . . . 2.79 109.735 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 137.24 6.08 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.568 -1.013 . . . . 0.45000000000000001 110.568 179.049 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.23 -54.45 5.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.446 -1.032 . . . . 3.1600000000000001 109.227 179.548 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.72 -40.74 80.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.188 -0.945 . . . . 2.2200000000000002 108.591 179.586 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -62.63 -44.76 95.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.357 -0.979 . . . . 3.54 108.357 179.248 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.23 -55.26 37.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.679 -0.638 . . . . 0.5 109.374 179.407 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.2 -35.19 25.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 1.6599999999999999 109.893 -179.556 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.62 -52.29 63.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.087 -1.008 . . . . 1.1499999999999999 109.804 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.54 -46.36 90.44 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.27 -0.894 . . . . 0.34000000000000002 109.36 -179.922 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.23 -43.77 53.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.942 . . . . 2.9399999999999999 109.214 179.717 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.8 -42.8 98.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.199 -0.938 . . . . 1.74 109.398 179.677 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.47 -48.26 80.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.268 -0.895 . . . . 1.0700000000000001 109.202 179.78 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -57.56 -46.82 83.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.22 109.097 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.24 -40.01 92.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 1.72 109.041 179.664 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.67 -53.63 56.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.459 -0.776 . . . . 1.0700000000000001 109.511 -179.994 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.81 -43.52 98.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.361 -0.837 . . . . 1.0800000000000001 109.144 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.12 -35.52 75.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.24 -0.913 . . . . 1.9099999999999999 109.314 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.88 -50.23 69.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 1.1499999999999999 109.411 -179.824 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.83 -46.91 85.73 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.1400000000000001 109.04 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.98 66.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.544 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -46.13 74.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -0.914 . . . . 1.3 109.758 -179.75 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -80.98 -0.6 40.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.4199999999999999 109.754 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.41 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 1.5800000000000001 109.761 -179.88 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.86 15.39 0.5 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 110.12 -1.192 . . . . 1.54 110.12 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 355' ' ' ALA . 60.2 tttp -85.28 113.94 21.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.052 -1.264 . . . . 4.5499999999999998 109.315 179.836 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.48 154.84 2.91 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 5.71 109.209 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -56.08 138.62 83.33 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.187 1.258 . . . . 6.0899999999999999 110.192 179.612 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.43 -1.468 . . . . 7.2400000000000002 109.43 179.677 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 320' ' ' LYS . 59.8 mttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.469 -0.567 . . . . 7.6699999999999999 109.469 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 319' ' ' LYS . 18.1 mtpp 59.21 153.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.503 -0.748 . . . . 7.46 109.555 -179.83 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' B' ' 323' ' ' LEU . 63.6 mttm 52.08 69.97 2.16 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 6.79 109.449 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.64 25.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -0.988 0 C-N-CA 121.771 1.647 . . . . 5.1500000000000004 110.522 -179.697 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.57 ' H ' ' C ' ' B' ' 321' ' ' LYS . 4.1 mm? -79.9 11.65 3.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.014 -1.054 . . . . 4.6600000000000001 109.423 -179.967 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.42 -150.89 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 2.4700000000000002 109.315 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 147.36 46.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.509 -1.436 . . . . 1.0600000000000001 109.509 179.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.68 142.32 53.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -1.12 . . . . 1.6100000000000001 109.431 179.977 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.6 153.49 18.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.96999999999999997 109.302 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -139.72 -171.83 3.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.316 -0.865 . . . . 0.59999999999999998 109.265 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.3 149.56 28.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.967 . . . . 1.1000000000000001 108.868 -179.956 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.78 132.53 23.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.308 -0.87 . . . . 1.1000000000000001 109.708 -178.757 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.37 128.34 34.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.84 -0.8 . . . . 1.3600000000000001 108.84 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.17 118.15 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.458 -0.776 . . . . 1.1699999999999999 109.562 -179.737 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.89 149.67 37.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.513 -0.742 . . . . 2.79 109.861 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 137.37 6.19 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.538 -1.025 . . . . 0.47999999999999998 110.538 179.048 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.3 -54.42 5.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.388 -1.066 . . . . 3.2200000000000002 109.318 179.426 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.71 -40.78 80.35 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.039 -1.038 . . . . 2.21 108.663 179.497 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.326 -0.99 . . . . 3.5499999999999998 108.326 179.211 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.25 -55.3 36.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.646 -0.659 . . . . 0.52000000000000002 109.38 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -50.25 -35.13 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.409 -0.807 . . . . 1.6799999999999999 109.84 -179.453 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.64 -52.37 63.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.221 -0.924 . . . . 1.1499999999999999 109.757 -179.615 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.228 -0.92 . . . . 0.33000000000000002 109.365 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.31 -43.74 53.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 3.02 109.149 179.761 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.76 -42.81 98.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.324 -0.86 . . . . 1.75 109.376 179.691 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.54 -48.21 80.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 109.166 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.64 -46.77 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.141 -0.974 . . . . 1.21 109.007 179.683 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.27 -39.92 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 1.6899999999999999 109.057 179.708 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.64 56.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.403 -0.811 . . . . 1.0600000000000001 109.462 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.7 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.883 . . . . 1.0800000000000001 109.15 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.99 -35.58 75.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 1.9299999999999999 109.354 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.89 -50.27 69.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 1.1399999999999999 109.336 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.85 -46.83 86.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 2.1899999999999999 109.043 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.51 -31.92 66.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.438 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.12 73.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.3100000000000001 109.676 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -81.06 -0.47 40.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.875 . . . . 1.3999999999999999 109.649 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.55 -81.07 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 1.5700000000000001 109.637 -179.863 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.75 15.37 0.48 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.173 -1.171 . . . . 1.53 110.173 -179.63 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.538 ' H ' ' C ' ' B' ' 355' ' ' ALA . 60.1 tttp -85.36 113.93 22.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.032 -1.275 . . . . 4.5800000000000001 109.301 179.857 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.43 154.77 2.9 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 5.6799999999999997 109.293 -179.673 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -56.05 138.7 83.47 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.142 1.228 . . . . 6.0499999999999998 110.219 179.643 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.39 -1.484 . . . . 7.2000000000000002 109.39 179.736 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' C' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.487 -0.56 . . . . 9.2200000000000006 109.487 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' C' ' 319' ' ' LYS . 18.0 mtpp 59.12 153.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.421 -0.799 . . . . 8.5099999999999998 109.488 -179.798 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' C' ' 323' ' ' LEU . 63.7 mttm 52.11 69.81 2.24 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.897 . . . . 7.4199999999999999 109.446 -179.738 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.44 24.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 121.796 1.664 . . . . 5.0499999999999998 110.633 -179.785 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.566 ' H ' ' C ' ' C' ' 321' ' ' LYS . 4.1 mm? -79.88 11.7 3.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.956 -1.09 . . . . 5.1399999999999997 109.451 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.36 -150.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 2.8500000000000001 109.29 179.859 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 147.44 46.9 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.445 -1.462 . . . . 1.27 109.445 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.89 142.28 53.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.387 -1.066 . . . . 2.1099999999999999 109.389 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -92.62 153.54 18.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.01 109.329 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.67 -171.86 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 0.57999999999999996 109.262 -179.832 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.23 149.64 28.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.88 . . . . 1.1599999999999999 108.857 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.81 132.52 23.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 1.1699999999999999 109.729 -178.822 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -85.34 128.35 34.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 1.8100000000000001 108.914 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.7 mt -124.16 118.28 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.408 -0.808 . . . . 1.1299999999999999 109.511 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.04 149.71 37.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 2.8199999999999998 109.765 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 137.41 6.21 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.481 -1.047 . . . . 0.45000000000000001 110.481 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.31 -54.52 4.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.341 -1.094 . . . . 3.0800000000000001 109.26 179.44 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.64 -40.84 80.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.102 -0.999 . . . . 2.54 108.634 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.358 -0.979 . . . . 4.1100000000000003 108.358 179.252 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.31 -55.31 36.44 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.384 0.612 . . . . 0.56999999999999995 109.382 179.359 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -50.2 -35.19 25.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.821 . . . . 1.6599999999999999 109.882 -179.494 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.67 -52.25 64.05 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.168 -0.958 . . . . 1.29 109.785 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.64 -46.25 91.01 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.25 -0.906 . . . . 0.40000000000000002 109.293 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.33 -43.73 54.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 3.8500000000000001 109.123 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.92 -42.69 98.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.316 -0.865 . . . . 1.78 109.372 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.46 -48.34 80.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.237 -0.914 . . . . 1.1699999999999999 109.16 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.57 -46.84 83.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -0.972 . . . . 1.2 109.017 179.741 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.047 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.69 55.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.459 -0.776 . . . . 1.0700000000000001 109.476 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.7 -43.7 98.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.327 -0.858 . . . . 1.1399999999999999 109.167 179.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.81 -35.68 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 2.0899999999999999 109.311 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.82 -50.18 69.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 1.3799999999999999 109.423 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.81 -47.0 85.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.397 -0.815 . . . . 2.6800000000000002 108.987 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.43 -31.93 66.38 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.568 -0.708 . . . . 1.3400000000000001 109.49 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.17 73.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 1.3 109.715 -179.653 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.96 -0.61 40.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 1.8 109.739 -179.751 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.46 -80.91 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 1.47 109.775 -179.873 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.79 15.34 0.49 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.076 -1.21 . . . . 1.6599999999999999 110.076 -179.716 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' C' ' 355' ' ' ALA . 60.2 tttp -85.34 113.91 22.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.058 -1.26 . . . . 4.7800000000000002 109.35 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.49 154.88 2.9 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 109.21 -179.612 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -56.08 138.61 83.28 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.18 1.253 . . . . 6.1799999999999997 110.19 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 109.456 -1.457 . . . . 6.9000000000000004 109.456 179.643 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' D' ' 320' ' ' LYS . 59.8 mttp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.422 -0.584 . . . . 7.6900000000000004 109.422 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' D' ' 319' ' ' LYS . 18.0 mtpp 59.19 153.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.473 -0.767 . . . . 7.4500000000000002 109.568 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.582 ' C ' ' H ' ' D' ' 323' ' ' LEU . 63.7 mttm 52.07 69.9 2.2 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 6.8399999999999999 109.524 -179.644 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.49 24.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.321 -0.914 0 C-N-CA 121.809 1.673 . . . . 5.1200000000000001 110.556 -179.69 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.582 ' H ' ' C ' ' D' ' 321' ' ' LYS . 4.1 mm? -79.97 11.78 3.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.887 -1.133 . . . . 4.6600000000000001 109.389 -179.818 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.42 -150.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 2.46 109.293 179.86 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 147.35 46.57 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.506 -1.438 . . . . 1.0800000000000001 109.506 -179.987 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.61 142.25 53.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -1.086 . . . . 1.6699999999999999 109.473 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.55 153.55 18.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 1.01 109.393 179.792 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.72 -171.85 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.63 109.195 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -152.32 149.45 28.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.232 -0.917 . . . . 1.1299999999999999 108.897 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.66 132.59 24.28 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.792 -178.799 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.4 128.38 34.7 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.368 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.21 118.19 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.499 -0.75 . . . . 1.1499999999999999 109.488 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.88 149.73 37.73 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.509 -0.744 . . . . 2.77 109.815 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 137.4 6.14 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.486 -1.045 . . . . 0.42999999999999999 110.486 178.994 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.29 -54.52 4.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.441 -1.035 . . . . 3.1200000000000001 109.273 179.468 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.62 -40.83 80.07 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.051 -1.031 . . . . 2.2200000000000002 108.631 179.478 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.64 95.78 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.401 -0.963 . . . . 3.5 108.401 179.223 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -57.32 -55.23 37.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.655 -0.653 . . . . 0.5 109.398 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.25 -35.05 25.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 1.6899999999999999 109.905 -179.552 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.82 -52.27 63.8 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 109.726 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.56 -46.32 90.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.171 -0.956 . . . . 0.32000000000000001 109.365 -179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.3 -43.7 53.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 2.96 109.177 179.769 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.83 -42.76 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 1.75 109.342 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.52 -48.18 80.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 1.0800000000000001 109.231 179.768 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.63 -46.9 83.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.116 -0.99 . . . . 1.22 108.967 179.675 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.23 -39.97 92.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 1.73 109.042 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.63 56.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 1.0700000000000001 109.518 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.62 -43.76 98.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 1.1100000000000001 109.125 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.99 -35.58 75.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 1.9099999999999999 109.338 179.906 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.8 -50.26 69.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 1.1699999999999999 109.375 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.92 -46.92 85.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 2.1499999999999999 109.033 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.88 66.32 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.632 -0.667 . . . . 1.4399999999999999 109.497 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -46.14 73.85 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 1.3 109.746 -179.71 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -80.91 -0.67 40.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.176 -0.953 . . . . 1.3999999999999999 109.692 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.546 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.51 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.158 -0.964 . . . . 1.6000000000000001 109.689 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.73 15.28 0.48 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.205 -1.158 . . . . 1.5 110.205 -179.667 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' D' ' 355' ' ' ALA . 60.1 tttp -85.29 113.91 21.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.043 -1.269 . . . . 4.5499999999999998 109.274 179.869 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.41 154.81 2.84 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.358 -0.838 . . . . 5.6699999999999999 109.255 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -56.07 138.65 83.39 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 121.224 1.283 . . . . 6.1200000000000001 110.218 179.56 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.391 -1.484 . . . . 7.2699999999999996 109.391 179.753 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' H1 ' ' H ' ' A' ' 320' ' ' LYS . 96.1 mttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.457 -0.572 . . . . 7.6600000000000001 109.457 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.419 ' H ' ' H1 ' ' A' ' 319' ' ' LYS . 57.3 mttp 53.36 -123.61 2.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.421 -0.8 . . . . 7.5099999999999998 109.921 179.837 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 323' ' ' LEU . 96.7 mttt 51.8 67.06 4.45 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 6.8099999999999996 109.377 -179.413 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.0 1.07 2.09 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 121.475 1.45 . . . . 5.1500000000000004 110.28 -179.48 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.0 mt -82.62 87.58 6.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.961 -1.087 . . . . 4.7000000000000002 109.647 -179.994 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.721 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 15.2 m-20 -86.01 -138.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.482 -0.761 . . . . 2.48 109.323 179.578 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.2 170.41 41.59 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.392 -1.483 . . . . 1.0800000000000001 109.392 179.787 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.69 131.41 50.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.182 -1.187 . . . . 1.7 109.63 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.721 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 76.2 m-85 -94.0 162.08 14.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.257 -0.902 . . . . 1.04 109.619 179.875 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.19 -171.73 3.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.275 -0.89 . . . . 0.65000000000000002 109.347 179.699 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.64 144.51 24.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 109.08 -179.751 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.71 136.69 37.6 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.483 -0.761 . . . . 1.0900000000000001 110.158 -178.702 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -86.04 130.74 34.44 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.906 -0.775 . . . . 1.3700000000000001 108.906 179.155 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.45 117.39 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.491 -0.755 . . . . 1.1499999999999999 109.247 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.33 151.5 39.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.578 -0.702 . . . . 2.79 109.746 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.44 135.27 3.03 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.434 -1.067 . . . . 0.45000000000000001 110.434 179.094 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.91 -50.55 10.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.482 -1.011 . . . . 3.1600000000000001 109.288 179.612 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.76 -35.42 72.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.774 179.873 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.524 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 10.0 tpp180 -65.4 -41.46 93.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.277 -0.889 . . . . 3.54 109.004 179.581 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -55.37 -53.02 61.41 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.501 -0.749 . . . . 0.5 109.941 -179.918 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.36 55.71 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.005 -179.55 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.32 -51.85 64.3 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.243 -0.911 . . . . 1.1499999999999999 110.317 -179.3 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.94 -47.12 87.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.255 -0.903 . . . . 0.34000000000000002 109.289 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.39 -43.75 54.66 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.22 -0.925 . . . . 2.9399999999999999 109.34 179.835 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.29 93.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.213 -0.929 . . . . 1.74 109.524 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.46 -47.61 83.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 1.0700000000000001 109.233 179.857 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.29 -47.51 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.193 -0.942 . . . . 1.22 109.476 179.827 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.15 -36.61 80.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.822 . . . . 1.72 109.395 -179.947 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.67 88.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 109.201 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.58 -48.22 80.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.485 -0.759 . . . . 1.0800000000000001 109.463 179.758 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.64 -34.59 72.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 1.9099999999999999 109.431 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.63 -49.07 72.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.401 -0.812 . . . . 1.1499999999999999 109.339 -179.779 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.285 -0.884 . . . . 2.1400000000000001 108.916 179.495 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.37 -33.06 69.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.557 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -45.36 77.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 1.3 109.658 -179.667 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 47.9 mt-30 -81.53 -6.49 59.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.874 . . . . 1.4199999999999999 109.546 -179.877 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.73 61.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.5800000000000001 109.632 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -9.74 77.93 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.653 -1.379 . . . . 1.54 109.653 -179.938 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.6 100.63 12.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -1.15 . . . . 4.5499999999999998 109.501 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' A' ' 358' ' ' GLU . 1.7 pm0 -51.34 150.48 6.24 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 5.71 109.355 -179.708 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.05 140.48 92.74 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 121.021 1.147 . . . . 6.0899999999999999 110.052 179.456 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.446 -1.462 . . . . 7.2400000000000002 109.446 179.776 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.414 ' H1 ' ' H ' ' B' ' 320' ' ' LYS . 96.0 mttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.424 -0.584 . . . . 7.6699999999999999 109.424 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.414 ' H ' ' H1 ' ' B' ' 319' ' ' LYS . 57.2 mttp 53.33 -123.58 2.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 7.46 109.956 179.79 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 323' ' ' LEU . 96.6 mttt 51.73 67.21 4.33 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.934 . . . . 6.79 109.389 -179.414 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.23 1.18 2.14 Favored 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 121.512 1.475 . . . . 5.1500000000000004 110.254 -179.391 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.9 mt -82.7 87.57 6.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.021 -1.05 . . . . 4.6600000000000001 109.677 179.917 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.718 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 15.2 m-20 -85.97 -138.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.738 . . . . 2.4700000000000002 109.327 179.558 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.17 170.43 41.46 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.4 -1.48 . . . . 1.0600000000000001 109.4 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' D' ' 335' ' ' ARG . 48.5 mt-10 -59.74 131.4 50.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.215 -1.168 . . . . 1.6100000000000001 109.602 -179.927 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.718 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 76.1 m-85 -93.99 162.12 14.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.223 -0.923 . . . . 0.96999999999999997 109.583 179.873 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.12 -171.71 3.25 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.328 -0.857 . . . . 0.59999999999999998 109.414 179.711 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.81 144.36 24.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.151 -0.968 . . . . 1.1000000000000001 109.133 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 63.8 tp -137.5 136.85 38.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.4 -0.812 . . . . 1.1000000000000001 110.251 -178.666 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.21 130.66 34.45 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.934 -0.765 . . . . 1.3600000000000001 108.934 179.172 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.32 117.46 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.459 -0.775 . . . . 1.1699999999999999 109.244 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.5 151.53 39.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.526 -0.734 . . . . 2.79 109.704 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.51 135.28 3.07 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.385 -1.086 . . . . 0.47999999999999998 110.385 179.072 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -79.98 -50.52 10.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.442 -1.034 . . . . 3.2200000000000002 109.331 179.556 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.79 -35.3 72.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 2.21 108.834 179.857 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.54 ' H ' ' CD ' ' B' ' 336' ' ' GLU . 10.0 tpp180 -65.42 -41.51 93.48 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.263 -0.898 . . . . 3.5499999999999998 108.985 179.52 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.27 -53.14 59.89 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.498 -0.752 . . . . 0.52000000000000002 109.902 -179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.37 55.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 1.6799999999999999 109.989 -179.436 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.272 -0.893 . . . . 1.1499999999999999 110.367 -179.325 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.02 -47.14 87.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.103 -0.998 . . . . 0.33000000000000002 109.295 -179.797 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.42 -43.69 54.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.287 -0.883 . . . . 3.02 109.348 179.836 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.35 -45.26 94.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.75 109.597 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.48 -47.55 83.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.234 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -58.39 -47.39 84.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.161 -0.962 . . . . 1.21 109.432 179.876 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.24 -36.6 80.41 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.339 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.71 88.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 1.0600000000000001 109.159 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.56 -48.36 79.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.486 -0.759 . . . . 1.0800000000000001 109.445 179.801 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.54 -34.48 72.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.327 -0.858 . . . . 1.9299999999999999 109.53 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.5 tp -64.62 -49.14 72.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.284 -0.885 . . . . 1.1399999999999999 109.368 -179.902 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -47.99 77.19 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.363 -0.836 . . . . 2.1899999999999999 108.919 179.464 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.27 -33.17 69.11 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.671 -0.643 . . . . 1.4299999999999999 109.617 179.757 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.3 78.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.332 -0.855 . . . . 1.3100000000000001 109.757 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.447 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 48.0 mt-30 -81.58 -6.5 59.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 1.3999999999999999 109.53 -179.894 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.88 -24.84 61.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.5700000000000001 109.633 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.51 -9.81 78.14 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.7 -1.36 . . . . 1.53 109.7 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.56 100.64 12.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.237 -1.154 . . . . 4.5800000000000001 109.474 -179.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' B' ' 358' ' ' GLU . 1.7 pm0 -51.38 150.5 6.3 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.253 -0.905 . . . . 5.6799999999999997 109.338 -179.727 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.08 140.44 92.69 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 121.041 1.161 . . . . 6.0499999999999998 110.059 179.511 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.972 -1.46 . . . . 7.2000000000000002 109.485 179.782 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.31 0.576 . . . . 9.2200000000000006 109.465 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 53.37 -123.59 2.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.378 -0.826 . . . . 8.5099999999999998 109.851 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' C' ' 323' ' ' LEU . 96.7 mttt 51.8 67.08 4.43 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 7.4199999999999999 109.367 -179.406 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.04 1.05 2.13 Favored 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.546 1.497 . . . . 5.0499999999999998 110.344 -179.492 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.0 mt -82.6 87.66 6.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.935 -1.103 . . . . 5.1399999999999997 109.646 179.957 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.704 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 15.2 m-20 -86.05 -138.8 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.705 . . . . 2.8500000000000001 109.295 179.58 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.19 170.51 41.36 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.418 -1.473 . . . . 1.27 109.418 179.774 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.88 131.36 50.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.231 -1.158 . . . . 2.1099999999999999 109.628 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.704 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 76.2 m-85 -93.89 162.06 14.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.289 -0.882 . . . . 1.01 109.685 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -140.14 -171.66 3.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.291 -0.881 . . . . 0.57999999999999996 109.336 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.7 144.49 24.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.14 -0.975 . . . . 1.1599999999999999 109.025 -179.778 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -137.64 136.86 37.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.427 -0.796 . . . . 1.1699999999999999 110.115 -178.71 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.23 130.71 34.43 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.896 -0.779 . . . . 1.8100000000000001 108.896 179.163 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.37 117.4 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 1.1299999999999999 109.225 -179.935 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -74.4 151.59 39.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.639 -0.663 . . . . 2.8199999999999998 109.669 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.41 135.26 3.02 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.471 -1.051 . . . . 0.45000000000000001 110.471 179.103 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -79.95 -50.44 10.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.068 . . . . 3.0800000000000001 109.368 179.522 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.85 -35.3 72.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 2.54 108.799 179.846 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 tpp180 -65.47 -41.5 93.28 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.217 -0.927 . . . . 4.1100000000000003 108.929 179.599 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.33 -53.05 61.07 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.568 -0.707 . . . . 0.56999999999999995 109.957 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.34 -37.27 55.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.6599999999999999 110.043 -179.533 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.2 ttp -63.54 -51.74 64.15 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.204 -0.935 . . . . 1.29 110.289 -179.257 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -60.84 -47.19 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.94 . . . . 0.40000000000000002 109.36 -179.857 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.35 -43.82 54.25 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.178 -0.951 . . . . 3.8500000000000001 109.317 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.3 -45.23 94.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.265 -0.897 . . . . 1.78 109.61 179.936 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.45 -47.65 83.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 1.1699999999999999 109.166 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.26 -47.55 83.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.136 -0.978 . . . . 1.2 109.411 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.5 80.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.209 -0.932 . . . . 2.1200000000000001 109.409 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.77 88.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 109.174 179.823 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -62.48 -48.25 80.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.459 -0.776 . . . . 1.1399999999999999 109.561 179.748 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.62 -34.57 72.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.458 179.925 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.5 -49.24 72.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 1.3799999999999999 109.354 -179.898 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.345 -0.847 . . . . 2.6800000000000002 108.938 179.539 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.32 -33.09 69.11 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.547 -0.721 . . . . 1.3400000000000001 109.574 179.764 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.4 77.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.387 -0.82 . . . . 1.3 109.708 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.468 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 47.9 mt-30 -81.48 -6.51 59.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 1.8 109.604 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -24.7 61.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 1.47 109.572 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -9.77 77.86 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.674 -1.37 . . . . 1.6599999999999999 109.674 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.61 100.48 12.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.24 -1.153 . . . . 4.7800000000000002 109.5 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.563 ' H ' ' CD ' ' C' ' 358' ' ' GLU . 1.7 pm0 -51.23 150.43 6.01 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 6.1900000000000004 109.384 -179.697 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.07 140.35 92.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.081 1.187 . . . . 6.1799999999999997 110.129 179.449 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.932 -1.482 . . . . 6.9000000000000004 109.451 179.763 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.472 ' H1 ' ' H ' ' D' ' 320' ' ' LYS . 96.1 mttt . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.327 0.584 . . . . 7.6900000000000004 109.46 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.472 ' H ' ' H1 ' ' D' ' 319' ' ' LYS . 57.2 mttp 53.34 -123.71 2.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 7.4500000000000002 109.88 179.784 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' D' ' 323' ' ' LEU . 96.6 mttt 51.89 67.09 4.4 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 6.8399999999999999 109.291 -179.478 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.09 1.15 2.09 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.507 1.471 . . . . 5.1200000000000001 110.352 -179.511 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.1 mt -82.67 87.68 6.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.007 -1.058 . . . . 4.6600000000000001 109.627 179.916 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.688 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 15.2 m-20 -86.01 -138.81 0.08 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.383 -0.823 . . . . 2.46 109.326 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.22 170.51 41.48 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.437 -1.465 . . . . 1.0800000000000001 109.437 179.73 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.75 131.4 50.79 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.262 -1.14 . . . . 1.6699999999999999 109.617 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.688 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 76.2 m-85 -93.99 162.11 14.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.225 -0.922 . . . . 1.01 109.551 179.882 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.1 -171.64 3.23 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.38 -0.825 . . . . 0.63 109.408 179.69 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -151.84 144.43 24.22 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.209 -0.932 . . . . 1.1299999999999999 109.045 -179.83 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.58 136.82 37.92 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.395 -0.816 . . . . 1.1000000000000001 110.191 -178.649 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.17 130.75 34.42 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.931 -0.766 . . . . 1.3700000000000001 108.931 179.124 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.47 117.4 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.493 -0.755 . . . . 1.1499999999999999 109.194 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -74.43 151.56 39.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.568 -0.707 . . . . 2.77 109.732 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.49 135.39 3.09 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.396 -1.081 . . . . 0.42999999999999999 110.396 179.06 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' B' ' 326' ' ' GLU . 41.3 ttm180 -80.06 -50.52 10.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -1.008 . . . . 3.1200000000000001 109.289 179.603 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.88 -35.32 72.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.15 -0.969 . . . . 2.2200000000000002 108.787 179.879 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.536 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 10.0 tpp180 -65.34 -41.56 93.81 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 3.5 109.058 179.464 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -55.33 -53.04 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.558 -0.714 . . . . 0.5 109.95 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.38 -37.36 56.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.434 -0.791 . . . . 1.6899999999999999 109.974 -179.481 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -51.71 64.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.141 -0.974 . . . . 1.1399999999999999 110.385 -179.324 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.96 -47.15 87.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -0.977 . . . . 0.32000000000000001 109.27 -179.825 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.41 -43.72 54.87 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 2.96 109.283 179.86 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.35 93.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 1.75 109.483 -179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.33 -47.72 83.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.238 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.36 -47.37 84.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.195 -0.941 . . . . 1.22 109.476 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.52 80.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 1.73 109.448 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.65 88.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 1.0700000000000001 109.227 179.828 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.64 -48.2 80.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.463 -0.773 . . . . 1.1100000000000001 109.439 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.68 -34.54 73.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.447 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.56 -49.17 72.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.34 -179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.32 -48.09 76.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.337 -0.852 . . . . 2.1499999999999999 108.884 179.542 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.2 -33.13 68.94 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.568 -0.708 . . . . 1.4399999999999999 109.589 179.802 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.38 77.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.28 -0.888 . . . . 1.3 109.681 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.468 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 48.0 mt-30 -81.52 -6.52 59.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.559 -179.893 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.8 61.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 1.6000000000000001 109.598 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -9.86 77.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.633 -1.387 . . . . 1.5 109.633 -179.91 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.53 100.57 12.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.164 -1.198 . . . . 4.5499999999999998 109.582 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' D' ' 358' ' ' GLU . 1.7 pm0 -51.38 150.47 6.33 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 5.6699999999999999 109.302 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.06 140.47 92.73 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 121.011 1.141 . . . . 6.1200000000000001 110.133 179.46 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 CA-C-O 117.937 -1.479 . . . . 7.2699999999999996 109.426 179.854 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.453 -0.573 . . . . 7.6600000000000001 109.453 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt 53.77 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.473 -0.767 . . . . 7.5099999999999998 109.823 179.87 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' A' ' 319' ' ' LYS . 81.5 tttt 57.53 64.5 4.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.384 -0.823 . . . . 6.8099999999999996 110.154 179.948 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.15 155.03 67.41 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.506 1.471 . . . . 5.1500000000000004 109.72 179.758 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.64 101.66 9.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 4.7000000000000002 109.243 179.549 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.72 162.19 23.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 2.48 109.743 -179.835 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.37 -173.92 10.57 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.037 -1.225 . . . . 1.0800000000000001 110.037 -179.827 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.71 141.49 56.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.336 -1.097 . . . . 1.7 109.693 -179.884 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -98.76 153.47 18.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.317 -0.864 . . . . 1.04 110.376 -179.864 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.96 135.37 34.28 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.309 -0.997 . . . . 0.65000000000000002 108.309 178.491 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 60.7 p -96.92 158.82 15.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.311 -0.868 . . . . 1.1399999999999999 109.705 -179.392 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.19 132.99 17.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.913 . . . . 1.0900000000000001 109.96 -179.253 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.48 34.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 1.3700000000000001 108.904 179.288 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.88 113.07 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.602 -0.686 . . . . 1.1499999999999999 109.445 -179.688 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.5 153.28 37.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.435 -0.791 . . . . 2.79 109.803 179.423 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 134.98 4.79 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.265 -1.134 . . . . 0.45000000000000001 110.265 179.292 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' A' ' 335' ' ' ARG . 19.5 ttt-85 -77.14 -50.67 12.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.365 -1.079 . . . . 3.1600000000000001 109.208 179.555 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.11 -38.02 72.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.2200000000000002 109.095 179.804 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.551 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.359 -0.838 . . . . 3.54 109.656 179.788 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -54.81 -57.17 12.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.549 -0.719 . . . . 0.5 109.996 -179.533 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.75 -39.49 52.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 109.896 -179.616 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.55 -53.99 39.29 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 110.552 -179.149 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.14 -45.07 95.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.973 -1.079 . . . . 0.34000000000000002 109.004 -179.691 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.32 59.15 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.279 -0.888 . . . . 2.9399999999999999 109.42 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.6 -52.87 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.74 109.832 -179.86 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.55 -36.59 78.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 108.717 179.791 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.1 -56.24 24.78 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.509 -0.744 . . . . 1.22 109.342 179.591 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.95 -31.83 73.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -0.779 . . . . 1.72 109.621 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.37 13.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 110.223 -179.462 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.77 -44.35 96.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 1.0800000000000001 109.395 -179.723 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.93 -36.08 71.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 108.885 179.729 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.48 -45.01 89.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.785 -0.821 . . . . 1.1499999999999999 108.785 179.678 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.969 0.89 . . . . 2.1400000000000001 108.792 179.196 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -52.38 -40.98 62.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.397 -0.594 . . . . 1.4299999999999999 109.397 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.35 83.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.285 -0.885 . . . . 1.3 109.191 179.637 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.95 -5.99 59.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.361 -0.837 . . . . 1.4199999999999999 109.564 179.929 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -87.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 1.5800000000000001 109.816 -179.612 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.22 76.68 0.47 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.933 -1.267 . . . . 1.54 109.933 -179.649 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.74 131.72 34.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.222 -1.164 . . . . 4.5499999999999998 109.2 179.703 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.32 109.47 1.01 Allowed Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.324 -0.86 . . . . 5.71 109.587 -179.784 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.88 166.12 12.83 Favored 'Trans proline' 0 C--O 1.214 -0.693 0 C-N-CA 120.638 0.892 . . . . 6.0899999999999999 110.045 -179.621 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.451 0 CA-C-O 117.982 -1.455 . . . . 7.2400000000000002 109.547 179.959 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' B' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.521 -0.548 . . . . 7.6699999999999999 109.521 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 53.75 -84.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 7.46 109.778 179.836 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 319' ' ' LYS . 81.4 tttt 57.54 64.52 4.08 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.401 -0.812 . . . . 6.79 110.166 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.12 155.08 66.98 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 121.472 1.448 . . . . 5.1500000000000004 109.706 179.722 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -80.73 101.83 9.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.15 -0.969 . . . . 4.6600000000000001 109.165 179.542 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.88 162.24 22.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 2.4700000000000002 109.718 -179.838 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.36 -173.81 10.37 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.024 -1.23 . . . . 1.0600000000000001 110.024 -179.767 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.84 141.46 57.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.393 -1.063 . . . . 1.6100000000000001 109.709 -179.89 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.9 m-85 -98.76 153.48 18.71 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.295 -0.878 . . . . 0.96999999999999997 110.333 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.02 135.43 34.23 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.271 -1.011 . . . . 0.59999999999999998 108.271 178.494 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -96.97 158.75 15.28 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.7 -179.382 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.25 133.09 18.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 1.1000000000000001 109.968 -179.309 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.85 130.47 34.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.864 179.361 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -123.93 113.01 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.545 -0.722 . . . . 1.1699999999999999 109.422 -179.709 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.33 153.3 37.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.437 -0.789 . . . . 2.79 109.762 179.37 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.0 135.14 4.8 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.222 -1.151 . . . . 0.47999999999999998 110.222 179.237 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' B' ' 335' ' ' ARG . 19.4 ttt-85 -77.24 -50.73 12.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -1.063 . . . . 3.2200000000000002 109.169 179.536 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.1 -38.01 72.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 2.21 109.086 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.565 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.47 -43.33 79.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.299 -0.875 . . . . 3.5499999999999998 109.612 179.829 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.76 -57.23 12.36 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.466 -0.771 . . . . 0.52000000000000002 109.965 -179.484 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.68 -39.57 51.4 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.4 -0.812 . . . . 1.6799999999999999 109.889 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.53 -54.02 38.79 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.204 -0.935 . . . . 1.1499999999999999 110.491 -179.074 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.15 -44.99 95.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.957 -1.089 . . . . 0.33000000000000002 108.997 -179.628 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.43 59.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.286 -0.884 . . . . 3.02 109.412 179.684 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -60.57 -52.86 63.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.75 109.815 -179.789 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.57 -36.5 78.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.101 -0.999 . . . . 1.0700000000000001 108.756 179.807 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.19 -56.23 24.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.454 -0.779 . . . . 1.21 109.308 179.596 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.86 -31.9 73.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 1.6899999999999999 109.655 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -57.29 13.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.0600000000000001 110.198 -179.388 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.84 -44.29 97.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 1.0800000000000001 109.413 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.97 -35.97 71.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -0.927 . . . . 1.9299999999999999 108.924 179.721 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.51 -45.04 88.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.392 -0.817 . . . . 1.1399999999999999 108.824 179.619 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.89 -46.61 87.02 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.733 -0.839 . . . . 2.1899999999999999 108.733 179.195 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -52.52 -40.84 62.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.411 -0.588 . . . . 1.4299999999999999 109.411 -179.871 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.35 83.2 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 1.3100000000000001 109.148 179.646 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.94 -6.09 59.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.34 -0.85 . . . . 1.3999999999999999 109.542 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -87.36 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.929 . . . . 1.5700000000000001 109.751 -179.561 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.14 76.69 0.45 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.862 -1.295 . . . . 1.53 109.862 -179.58 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.73 131.66 34.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.137 -1.213 . . . . 4.5800000000000001 109.196 179.665 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.32 109.53 1.02 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 5.6799999999999997 109.553 -179.784 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.88 166.09 12.89 Favored 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 120.651 0.901 . . . . 6.0499999999999998 110.058 -179.647 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.433 0 CA-C-O 118.01 -1.439 . . . . 7.2000000000000002 109.568 179.939 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' C' ' 321' ' ' LYS . 18.6 pttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.53 -0.545 . . . . 9.2200000000000006 109.53 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 53.73 -84.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.358 -0.839 . . . . 8.5099999999999998 109.738 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' C' ' 319' ' ' LYS . 81.5 tttt 57.6 64.51 4.05 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.387 -0.82 . . . . 7.4199999999999999 110.162 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.14 155.07 67.07 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 121.487 1.458 . . . . 5.0499999999999998 109.789 179.687 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.68 101.69 9.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 5.1399999999999997 109.204 179.6 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.83 162.25 22.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 2.8500000000000001 109.736 -179.804 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.31 -173.79 10.18 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.014 -1.235 . . . . 1.27 110.014 -179.766 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.79 141.46 56.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.356 -1.085 . . . . 2.1099999999999999 109.71 -179.99 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.0 m-85 -98.8 153.48 18.73 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.252 -0.905 . . . . 1.01 110.312 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.92 135.51 34.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.276 -1.009 . . . . 0.57999999999999996 108.276 178.488 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.0 158.97 15.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.188 -0.945 . . . . 1.1599999999999999 109.649 -179.396 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -148.4 132.99 17.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 1.1699999999999999 109.936 -179.261 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.62 34.5 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.878 -0.786 . . . . 1.8100000000000001 108.878 179.274 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.03 113.08 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.572 -0.705 . . . . 1.1299999999999999 109.395 -179.672 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.44 153.37 37.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.482 -0.761 . . . . 2.8199999999999998 109.802 179.387 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.87 135.15 4.74 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.353 -1.099 . . . . 0.45000000000000001 110.353 179.349 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' C' ' 335' ' ' ARG . 19.5 ttt-85 -77.27 -50.7 12.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -1.046 . . . . 3.0800000000000001 109.168 179.606 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.1 72.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.372 -0.83 . . . . 2.54 109.056 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.557 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.49 -43.23 79.48 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.399 -0.813 . . . . 4.1100000000000003 109.658 179.833 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.8 -57.19 12.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.5 -0.75 . . . . 0.56999999999999995 109.967 -179.575 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.73 -39.51 52.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.3 -0.875 . . . . 1.6599999999999999 109.905 -179.62 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.56 -54.01 38.84 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.216 -0.928 . . . . 1.29 110.516 -179.105 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -62.16 -44.99 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.033 -1.042 . . . . 0.40000000000000002 109.0 -179.609 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -50.89 -43.36 59.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 3.8500000000000001 109.365 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.63 -52.86 63.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.88 . . . . 1.78 109.813 -179.796 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.57 -36.47 78.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 1.1699999999999999 108.747 179.786 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.24 -56.17 25.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.536 -0.727 . . . . 1.2 109.341 179.593 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.89 -31.89 73.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 2.1200000000000001 109.666 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -57.3 13.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.187 -179.459 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.78 -44.37 96.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 1.1399999999999999 109.395 -179.746 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.96 -35.98 71.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.971 179.751 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.45 -45.0 89.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.34 -0.85 . . . . 1.3799999999999999 108.816 179.59 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.0 -46.68 86.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.741 -0.837 . . . . 2.6800000000000002 108.741 179.22 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -52.31 -40.91 62.47 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.334 0.587 . . . . 1.3400000000000001 109.478 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.235 -0.916 . . . . 1.3 109.186 179.635 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.99 -5.96 59.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.415 -0.803 . . . . 1.8 109.554 179.962 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.09 -87.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 1.47 109.827 -179.654 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.25 76.66 0.47 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.881 -1.288 . . . . 1.6599999999999999 109.881 -179.641 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.75 131.74 34.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.244 -1.151 . . . . 4.7800000000000002 109.226 179.672 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.31 109.56 1.03 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.327 -0.858 . . . . 6.1900000000000004 109.532 -179.724 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.92 166.05 13.04 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.73 0.953 . . . . 6.1799999999999997 109.973 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.509 0 CA-C-O 117.946 -1.474 . . . . 6.9000000000000004 109.548 179.887 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' D' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.472 -0.566 . . . . 7.6900000000000004 109.472 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt 53.83 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 7.4500000000000002 109.878 179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' D' ' 319' ' ' LYS . 81.5 tttt 57.42 64.62 4.09 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.323 -0.861 . . . . 6.8399999999999999 110.164 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.28 154.97 68.16 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.444 1.429 . . . . 5.1200000000000001 109.749 179.715 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.56 101.72 9.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.169 -0.957 . . . . 4.6600000000000001 109.205 179.615 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.8 162.21 22.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.279 -0.888 . . . . 2.46 109.753 -179.877 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.36 -173.84 10.43 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.077 -1.209 . . . . 1.0800000000000001 110.077 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.71 141.51 56.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.392 -1.063 . . . . 1.6699999999999999 109.706 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.8 m-85 -98.78 153.49 18.71 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.296 -0.878 . . . . 1.01 110.376 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.0 135.47 34.32 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.242 -1.022 . . . . 0.63 108.242 178.472 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.4 p -96.99 158.76 15.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.169 -0.957 . . . . 1.1299999999999999 109.707 -179.38 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.2 133.02 17.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 1.1000000000000001 109.934 -179.237 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.87 130.46 34.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.896 -0.779 . . . . 1.3700000000000001 108.896 179.325 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.89 113.06 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.486 -0.758 . . . . 1.1499999999999999 109.397 -179.671 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.52 153.42 37.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.473 -0.767 . . . . 2.77 109.786 179.352 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.93 135.15 4.77 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.216 -1.153 . . . . 0.42999999999999999 110.216 179.316 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' D' ' 335' ' ' ARG . 19.4 ttt-85 -77.2 -50.81 12.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.399 -1.059 . . . . 3.1200000000000001 109.106 179.611 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.09 72.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.031 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.554 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.33 79.3 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.427 -0.796 . . . . 3.5 109.634 179.785 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -54.72 -57.36 11.83 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.591 -0.693 . . . . 0.5 109.982 -179.528 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.64 -39.53 50.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.878 -179.587 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.52 -53.97 39.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.263 -0.898 . . . . 1.1399999999999999 110.543 -179.126 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.1 -45.09 95.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.978 -1.076 . . . . 0.32000000000000001 109.052 -179.699 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.78 -43.43 58.53 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.322 -0.861 . . . . 2.96 109.361 179.698 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.63 -52.85 63.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.75 109.774 -179.72 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.52 -36.57 78.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 108.749 179.748 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.26 24.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.462 -0.773 . . . . 1.22 109.325 179.595 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.85 -31.84 73.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.406 -0.809 . . . . 1.73 109.67 -179.924 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -57.25 13.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 110.175 -179.387 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.87 -44.29 97.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 1.1100000000000001 109.376 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.9 -36.04 71.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.9099999999999999 108.965 179.667 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.49 -44.99 89.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 1.1699999999999999 108.766 179.647 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -62.97 -46.65 86.7 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.867 0.842 . . . . 2.1499999999999999 108.753 179.218 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.36 -40.92 62.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.312 0.577 . . . . 1.4399999999999999 109.471 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.32 83.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 1.3 109.215 179.677 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.91 -6.13 59.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.421 -0.799 . . . . 1.3999999999999999 109.553 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.04 -87.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.948 . . . . 1.6000000000000001 109.869 -179.589 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.18 76.66 0.46 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.862 -1.295 . . . . 1.5 109.862 -179.669 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -85.83 131.76 34.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -1.121 . . . . 4.5499999999999998 109.154 179.709 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -46.38 109.56 1.03 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 5.6699999999999999 109.546 -179.756 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.93 166.08 13.01 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 C-N-CA 120.617 0.878 . . . . 6.1200000000000001 110.04 -179.594 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 CA-C-O 117.928 -1.484 . . . . 7.2699999999999996 109.525 179.916 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 320' ' ' LYS . 65.6 mttm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.447 -0.575 . . . . 7.6600000000000001 109.447 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 319' ' ' LYS . 60.8 mttm 53.34 100.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.35 -0.844 . . . . 7.5099999999999998 109.625 -179.893 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.65 65.56 6.3 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 6.8099999999999996 109.723 -179.982 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.22 132.3 33.46 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.423 1.415 . . . . 5.1500000000000004 110.07 -179.959 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 4.0 mm? -80.86 11.29 4.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 4.7000000000000002 108.855 179.44 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.404 ' OD1' ' NH2' ' C' ' 333' ' ' ARG . 69.6 m-20 -78.03 171.38 15.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 2.48 109.797 -179.658 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 165.11 48.12 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.676 -1.37 . . . . 1.0800000000000001 109.676 -179.971 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -59.29 139.99 56.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -1.137 . . . . 1.7 109.833 -179.851 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.98 156.66 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.32 -0.863 . . . . 1.04 109.59 179.723 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.13 136.62 35.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.857 . . . . 0.65000000000000002 108.77 178.903 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.4 157.58 15.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.285 -0.885 . . . . 1.1399999999999999 109.527 -179.576 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.9 131.08 17.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.399 -0.813 . . . . 1.0900000000000001 110.022 -178.58 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.4 132.62 34.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.083 179.575 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.4 118.98 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 121.549 0.69 . . . . 1.1499999999999999 109.352 -179.598 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.86 148.67 38.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.566 -0.709 . . . . 2.79 109.704 179.732 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.42 6.1 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.542 -1.023 . . . . 0.45000000000000001 110.542 179.075 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.97 -46.5 12.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.427 -1.043 . . . . 3.1600000000000001 109.188 179.51 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.15 -40.49 77.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 2.2200000000000002 108.864 179.694 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.588 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -41.14 78.1 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.439 -0.788 . . . . 3.54 109.457 179.638 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.58 -59.22 5.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.546 -0.721 . . . . 0.5 110.039 -179.596 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.82 -35.3 43.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 109.622 -179.628 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.04 -57.36 8.85 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.245 -0.909 . . . . 1.1499999999999999 110.322 -179.513 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.94 91.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.976 . . . . 0.34000000000000002 108.883 -179.791 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.496 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -50.06 -42.24 49.4 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.376 -0.827 . . . . 2.9399999999999999 109.105 179.42 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.82 -45.29 93.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.74 109.396 179.488 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.06 -45.84 91.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.286 179.921 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.77 -49.34 76.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.22 109.259 179.926 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.1 -38.15 87.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 1.72 109.279 179.873 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.3 66.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.387 -0.821 . . . . 1.0700000000000001 109.605 -179.902 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.88 -46.59 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 1.0800000000000001 109.293 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.01 -35.44 73.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.198 179.811 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.68 -47.2 82.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -0.817 . . . . 1.1499999999999999 109.165 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.389 -0.82 . . . . 2.1400000000000001 108.863 179.699 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -56.91 -31.76 65.25 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.587 179.749 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.14 83.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.254 -0.904 . . . . 1.3 109.754 -179.771 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -81.82 -44.51 16.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -0.928 . . . . 1.4199999999999999 109.395 -179.969 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.454 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.15 -3.83 18.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.5800000000000001 109.201 179.736 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.33 18.36 4.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.377 -1.489 . . . . 1.54 109.377 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 355' ' ' ALA . 64.2 tttp -85.17 -80.68 0.21 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.258 -1.142 . . . . 4.5499999999999998 109.604 -179.782 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.95 126.36 24.93 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 5.71 109.174 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.59 136.05 68.46 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 C-N-CA 120.649 0.899 . . . . 6.0899999999999999 109.974 179.885 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.011 -1.438 . . . . 7.2400000000000002 109.53 179.782 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.459 -0.571 . . . . 7.6699999999999999 109.459 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 319' ' ' LYS . 60.8 mttm 53.42 100.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.336 -0.853 . . . . 7.46 109.574 -179.908 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.59 65.58 6.29 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.364 -0.835 . . . . 6.79 109.724 -179.98 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.24 132.29 33.4 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.425 1.417 . . . . 5.1500000000000004 110.076 -179.937 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 4.0 mm? -80.83 11.27 4.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.248 -0.907 . . . . 4.6600000000000001 108.871 179.482 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -78.07 171.34 15.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.805 . . . . 2.4700000000000002 109.808 -179.634 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 165.17 47.77 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.646 -1.382 . . . . 1.0600000000000001 109.646 -179.977 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -59.33 139.98 56.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.353 -1.087 . . . . 1.6100000000000001 109.849 -179.884 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.99 156.66 16.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.327 -0.858 . . . . 0.96999999999999997 109.64 179.677 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.09 136.67 35.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.853 . . . . 0.59999999999999998 108.746 178.912 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.39 157.57 15.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -0.858 . . . . 1.1000000000000001 109.531 -179.603 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.93 130.98 17.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.39 -0.819 . . . . 1.1000000000000001 110.069 -178.595 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.38 132.65 34.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 109.061 179.623 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.37 119.01 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 CA-C-O 121.527 0.68 . . . . 1.1699999999999999 109.337 -179.597 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' D' ' 324' ' ' ASP . 63.5 ttt180 -75.87 148.64 38.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.527 -0.733 . . . . 2.79 109.676 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.42 142.39 6.16 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.527 -1.029 . . . . 0.47999999999999998 110.527 179.027 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.0 -46.47 12.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.503 -0.998 . . . . 3.2200000000000002 109.235 179.468 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.2 -40.44 77.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 2.21 108.851 179.711 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.575 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.08 -41.08 78.19 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.411 -0.806 . . . . 3.5499999999999998 109.441 179.633 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.58 -59.23 5.13 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.654 -0.654 . . . . 0.52000000000000002 110.065 -179.636 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.85 -35.31 44.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.567 -179.581 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.05 -57.31 8.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.268 -0.895 . . . . 1.1499999999999999 110.289 -179.457 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -61.89 -45.91 91.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.33000000000000002 108.879 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.479 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.6 OUTLIER -50.09 -42.25 49.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.378 -0.826 . . . . 3.02 109.115 179.418 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.81 -45.29 93.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 1.75 109.409 179.474 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.07 -45.76 92.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 1.0700000000000001 109.339 179.904 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.74 -49.43 76.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.179 -0.951 . . . . 1.21 109.242 179.868 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.09 -38.06 87.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.264 -0.897 . . . . 1.6899999999999999 109.343 179.902 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -52.35 66.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 1.0600000000000001 109.622 -179.969 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.82 -46.71 88.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 1.0800000000000001 109.276 179.88 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.92 -35.47 73.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.202 -0.936 . . . . 1.9299999999999999 109.196 179.791 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.64 -47.18 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.423 -0.798 . . . . 1.1399999999999999 109.19 179.832 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.26 -48.96 75.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.358 -0.839 . . . . 2.1899999999999999 108.867 179.701 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -56.92 -31.66 65.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.632 -0.668 . . . . 1.4299999999999999 109.652 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.08 82.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 1.3100000000000001 109.684 -179.753 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -81.81 -44.51 16.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 1.3999999999999999 109.416 -179.974 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.15 -3.83 18.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.892 . . . . 1.5700000000000001 109.197 179.763 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.3 18.29 4.45 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.372 -1.491 . . . . 1.53 109.372 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' B' ' 355' ' ' ALA . 64.2 tttp -85.12 -80.75 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -1.153 . . . . 4.5800000000000001 109.592 -179.776 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -50.88 126.33 24.51 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.309 -0.869 . . . . 5.6799999999999997 109.189 -179.761 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.59 136.05 68.51 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.648 0.899 . . . . 6.0499999999999998 109.992 179.892 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.022 -1.432 . . . . 7.2000000000000002 109.529 179.821 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' C' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.443 -0.577 . . . . 9.2200000000000006 109.443 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' C' ' 319' ' ' LYS . 60.9 mttm 53.35 100.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 8.5099999999999998 109.563 -179.894 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.58 65.55 6.34 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.373 -0.829 . . . . 7.4199999999999999 109.722 -179.992 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.12 132.27 33.57 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.44 1.427 . . . . 5.0499999999999998 110.091 -179.997 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 4.0 mm? -80.83 11.28 4.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.256 -0.903 . . . . 5.1399999999999997 108.899 179.389 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -78.06 171.42 15.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.367 -0.833 . . . . 2.8500000000000001 109.766 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 165.12 48.2 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.652 -1.379 . . . . 1.27 109.652 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.26 139.98 56.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -1.127 . . . . 2.1099999999999999 109.865 -179.86 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.01 156.75 16.2 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 1.01 109.598 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -139.15 136.56 35.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.282 -0.886 . . . . 0.57999999999999996 108.779 178.951 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.34 157.61 15.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.288 -0.883 . . . . 1.1599999999999999 109.582 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.94 131.04 17.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.416 -0.802 . . . . 1.1699999999999999 110.049 -178.568 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.39 132.66 34.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 1.8100000000000001 109.05 179.601 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.4 119.0 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.488 0.661 . . . . 1.1299999999999999 109.338 -179.615 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.404 ' NH2' ' OD1' ' A' ' 324' ' ' ASP . 63.6 ttt180 -75.96 148.67 37.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.591 -0.693 . . . . 2.8199999999999998 109.639 179.722 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.4 6.09 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.588 -1.005 . . . . 0.45000000000000001 110.588 179.131 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -82.97 -46.53 12.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.48 -1.012 . . . . 3.0800000000000001 109.177 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.16 -40.49 77.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.335 -0.853 . . . . 2.54 108.832 179.743 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.588 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -41.17 77.84 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.439 -0.788 . . . . 4.1100000000000003 109.508 179.585 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.53 -59.25 5.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.572 -0.705 . . . . 0.56999999999999995 110.102 -179.647 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.81 -35.3 43.76 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.307 -0.871 . . . . 1.6599999999999999 109.622 -179.67 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.03 -57.38 8.83 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.225 -0.922 . . . . 1.29 110.314 -179.529 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.93 91.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.40000000000000002 108.911 -179.794 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.49 ' HB3' HH11 ' C' ' 342' ' ' ARG . 0.6 OUTLIER -50.1 -42.24 49.96 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.367 -0.833 . . . . 3.8500000000000001 109.073 179.41 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.84 -45.27 93.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 1.78 109.386 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.05 -45.77 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 1.1699999999999999 109.343 179.893 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.73 -49.49 76.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.182 -0.949 . . . . 1.2 109.248 179.863 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.0 -38.16 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.274 -0.891 . . . . 2.1200000000000001 109.313 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -52.32 66.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 1.0700000000000001 109.635 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.88 -46.67 88.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.121 -0.987 . . . . 1.1399999999999999 109.287 179.86 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.94 -35.45 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.217 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.64 -47.22 82.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.17 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.31 -48.89 76.16 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.37 -0.831 . . . . 2.6800000000000002 108.802 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -56.98 -31.69 65.3 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.683 -0.636 . . . . 1.3400000000000001 109.575 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -37.1 83.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.3 109.759 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -81.91 -44.47 16.75 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 1.8 109.335 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.16 -3.82 18.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.896 . . . . 1.47 109.228 179.734 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.31 18.34 4.42 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.408 -1.477 . . . . 1.6599999999999999 109.408 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' C' ' 355' ' ' ALA . 64.3 tttp -85.08 -80.8 0.2 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -1.129 . . . . 4.7800000000000002 109.624 -179.804 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.87 126.27 24.3 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.353 -0.842 . . . . 6.1900000000000004 109.264 -179.824 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.58 136.1 68.87 Favored 'Trans proline' 0 C--O 1.215 -0.645 0 C-N-CA 120.553 0.835 . . . . 6.1799999999999997 109.978 179.939 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.008 -1.44 . . . . 6.9000000000000004 109.563 179.778 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' D' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.412 -0.588 . . . . 7.6900000000000004 109.412 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' D' ' 319' ' ' LYS . 60.8 mttm 53.42 100.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 7.4500000000000002 109.62 -179.915 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.66 65.53 6.32 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 6.8399999999999999 109.699 -179.963 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.1 132.24 33.53 Favored 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.443 1.429 . . . . 5.1200000000000001 110.119 179.976 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 4.0 mm? -80.83 11.28 4.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 4.6600000000000001 108.864 179.431 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' B' ' 333' ' ' ARG . 69.7 m-20 -78.02 171.39 15.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 2.46 109.767 -179.642 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 165.09 48.15 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.635 -1.386 . . . . 1.0800000000000001 109.635 179.998 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.22 139.98 56.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -1.103 . . . . 1.6699999999999999 109.89 -179.931 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.98 156.75 16.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 1.01 109.562 179.731 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.16 136.64 35.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.315 -0.866 . . . . 0.63 108.7 178.933 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.41 157.49 15.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 1.1299999999999999 109.539 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.85 131.04 17.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -0.799 . . . . 1.1000000000000001 110.048 -178.618 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.35 132.68 34.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.3700000000000001 109.081 179.595 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.45 119.01 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-O 121.572 0.701 . . . . 1.1499999999999999 109.288 -179.556 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.88 148.67 38.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.523 -0.736 . . . . 2.77 109.671 179.674 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.44 6.11 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.527 -1.029 . . . . 0.42999999999999999 110.527 179.072 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.03 -46.49 12.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.516 -0.991 . . . . 3.1200000000000001 109.166 179.499 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -57.18 -40.44 77.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.907 179.703 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.587 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -41.17 78.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.38 -0.825 . . . . 3.5 109.423 179.613 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -55.49 -59.3 5.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.595 -0.69 . . . . 0.5 110.033 -179.63 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.84 -35.32 44.15 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.32 -0.863 . . . . 1.6899999999999999 109.585 -179.566 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.04 -57.33 8.95 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.169 -0.957 . . . . 1.1399999999999999 110.279 -179.479 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.88 -45.91 91.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.089 -1.007 . . . . 0.32000000000000001 108.886 -179.796 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.498 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.6 OUTLIER -50.11 -42.25 50.03 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.442 -0.786 . . . . 2.96 109.104 179.434 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.8 -45.24 93.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -0.938 . . . . 1.75 109.433 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.16 -45.75 92.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 1.0800000000000001 109.278 179.955 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.69 -49.46 76.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.173 -0.954 . . . . 1.22 109.285 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.03 -38.12 87.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 1.73 109.324 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.3 66.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.63 -179.94 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.84 -46.68 88.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.932 . . . . 1.1100000000000001 109.306 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.95 -35.45 73.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 1.9099999999999999 109.186 179.789 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.66 -47.18 82.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 1.1699999999999999 109.168 179.875 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.364 -0.835 . . . . 2.1499999999999999 108.894 179.679 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -57.02 -31.59 65.28 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.703 -0.623 . . . . 1.4399999999999999 109.608 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.0 82.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.879 . . . . 1.3 109.763 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -81.88 -44.5 16.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.3999999999999999 109.385 179.998 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.2 -3.76 18.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.258 -0.901 . . . . 1.6000000000000001 109.219 179.742 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.37 18.37 4.46 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.392 -1.483 . . . . 1.5 109.392 179.834 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' D' ' 355' ' ' ALA . 64.2 tttp -85.13 -80.75 0.21 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.263 -1.139 . . . . 4.5499999999999998 109.586 -179.784 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -50.89 126.27 24.43 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.247 -0.908 . . . . 5.6699999999999999 109.239 -179.792 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.57 136.07 68.72 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 120.637 0.891 . . . . 6.1200000000000001 109.952 179.954 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 CA-C-O 118.022 -1.432 . . . . 7.2699999999999996 109.535 179.793 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.313 -0.625 . . . . 7.6600000000000001 109.313 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 322' ' ' PRO . 87.3 mttt 54.44 -136.25 1.34 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 7.5099999999999998 109.763 179.936 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 320' ' ' LYS . 17.0 mmtp 19.59 -80.96 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.488 0 CA-C-O 118.05 -0.976 . . . . 6.8099999999999996 112.611 -179.606 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.485 ' N ' ' O ' ' A' ' 320' ' ' LYS . 1.0 OUTLIER -54.75 -45.75 38.56 Favored 'Trans proline' 0 N--CA 1.483 0.877 0 CA-C-N 120.745 1.302 . . . . 5.1500000000000004 110.623 179.685 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 3.3 mm? -77.82 33.6 0.18 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.363 -0.836 . . . . 4.7000000000000002 110.245 -179.02 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 322' ' ' PRO . 18.4 m-20 -78.08 107.53 10.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.132 -0.98 . . . . 2.48 109.248 179.663 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.8 156.03 52.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.912 -1.275 . . . . 1.0800000000000001 109.912 179.952 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.6 125.0 22.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -1.113 . . . . 1.7 109.371 179.592 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.517 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 72.4 m-85 -97.34 153.11 18.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.213 -0.93 . . . . 1.04 109.95 -179.884 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.35 137.78 34.36 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.685 -0.858 . . . . 0.65000000000000002 108.685 179.08 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -94.79 163.41 13.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.87 . . . . 1.1399999999999999 109.05 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.92 132.79 17.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.173 -0.954 . . . . 1.0900000000000001 110.147 -179.079 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.58 127.23 33.95 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.699 -0.852 . . . . 1.3700000000000001 108.699 179.299 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.2 mt -124.26 111.17 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.546 -0.721 . . . . 1.1499999999999999 109.776 -179.296 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.53 152.61 37.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.769 . . . . 2.79 109.531 179.531 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.97 131.67 4.14 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.065 -1.214 . . . . 0.45000000000000001 110.065 179.617 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.81 -51.95 8.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -1.136 . . . . 3.1600000000000001 109.566 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.28 -38.89 77.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.972 -1.08 . . . . 2.2200000000000002 109.756 -179.596 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.115 -0.99 . . . . 3.54 109.699 -179.958 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.71 -53.44 52.08 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.439 -0.788 . . . . 0.5 109.908 -179.809 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -51.47 -39.51 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 1.6599999999999999 110.13 -179.499 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.14 -51.32 66.96 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.206 -0.934 . . . . 1.1499999999999999 110.483 -179.174 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.68 -42.62 97.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.06 -1.025 . . . . 0.34000000000000002 109.069 -179.636 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.249 -0.907 . . . . 2.9399999999999999 109.447 179.754 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.82 -46.29 91.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.74 109.967 -179.647 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.97 -41.05 95.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.515 -179.717 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.99 -50.33 74.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 1.22 109.576 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.505 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.92 81.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.297 -0.877 . . . . 1.72 109.769 -179.756 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.54 57.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 1.0700000000000001 109.912 -179.582 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.6 -42.64 99.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 1.0800000000000001 109.482 -179.868 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.3 -35.42 73.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.157 -0.965 . . . . 1.9099999999999999 109.225 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.9 -52.3 51.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 1.1499999999999999 109.193 179.907 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.05 -36.46 79.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.328 -0.858 . . . . 2.1400000000000001 109.056 179.784 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.71 -36.2 66.93 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.656 -0.653 . . . . 1.4299999999999999 109.272 179.808 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.95 80.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 1.3 109.597 -179.981 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.51 -4.13 55.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.216 -0.928 . . . . 1.4199999999999999 109.668 -179.87 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.1 -87.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.205 -0.934 . . . . 1.5800000000000001 109.567 -179.944 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.53 72.48 1.0 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.872 -1.291 . . . . 1.54 109.872 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.09 114.98 23.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.118 -1.225 . . . . 4.5499999999999998 109.103 179.945 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -46.45 109.69 1.07 Allowed Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.293 -0.879 . . . . 5.71 109.496 -179.781 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.92 136.41 61.29 Favored 'Trans proline' 0 C--O 1.215 -0.649 0 N-CA-C 109.807 -0.882 . . . . 6.0899999999999999 109.807 -179.818 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.96 -1.467 . . . . 7.2400000000000002 109.585 179.939 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' B' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.287 -0.634 . . . . 7.6699999999999999 109.287 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 322' ' ' PRO . 87.3 mttt 54.52 -136.29 1.33 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 7.46 109.824 179.84 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' B' ' 320' ' ' LYS . 17.0 mmtp 19.61 -81.02 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.484 0 CA-C-O 118.149 -0.929 . . . . 6.79 112.549 -179.688 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' B' ' 320' ' ' LYS . 1.0 OUTLIER -54.71 -45.69 39.01 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 120.678 1.278 . . . . 5.1500000000000004 110.699 179.69 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 3.2 mm? -77.85 33.51 0.18 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.246 -0.909 . . . . 4.6600000000000001 110.336 -179.101 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 322' ' ' PRO . 18.5 m-20 -77.93 108.04 10.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.039 -1.038 . . . . 2.4700000000000002 109.268 179.637 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.518 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.63 156.0 51.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.852 -1.299 . . . . 1.0600000000000001 109.852 -179.887 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.48 124.96 22.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.24 -1.153 . . . . 1.6100000000000001 109.411 179.828 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 72.7 m-85 -97.32 153.08 18.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.234 -0.916 . . . . 0.96999999999999997 109.973 -179.812 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.39 137.66 34.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 0.59999999999999998 108.74 179.121 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.9 p -94.68 163.37 13.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 1.1000000000000001 109.043 -179.857 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 132.74 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.013 -1.054 . . . . 1.1000000000000001 110.198 -179.096 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.6 127.21 33.95 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.653 -0.869 . . . . 1.3600000000000001 108.653 179.412 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.29 111.25 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 121.553 0.692 . . . . 1.1699999999999999 109.774 -179.337 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.42 152.62 37.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.448 -0.783 . . . . 2.79 109.566 179.456 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.91 131.82 4.16 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.001 -1.24 . . . . 0.47999999999999998 110.001 179.572 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.95 -51.96 8.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.3 -1.118 . . . . 3.2200000000000002 109.585 179.958 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.26 -38.93 77.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.142 -0.974 . . . . 2.21 109.714 -179.609 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.409 HH22 ' CG ' ' D' ' 352' ' ' ASP . 30.7 ttm180 -62.96 -42.13 99.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.265 -0.897 . . . . 3.5499999999999998 109.703 -179.918 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -53.72 -53.41 52.52 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.52000000000000002 109.907 -179.772 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.49 -39.5 57.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 1.6799999999999999 110.114 -179.507 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.11 -51.37 66.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 110.539 -179.221 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.58 -42.62 97.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.036 -1.04 . . . . 0.33000000000000002 109.143 -179.696 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.41 63.31 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 3.02 109.478 179.731 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.73 -46.39 90.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 1.75 109.99 -179.701 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.94 -41.13 95.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 109.47 -179.65 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.89 -50.42 74.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 1.21 109.612 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.63 -35.94 81.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 1.6899999999999999 109.757 -179.759 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -53.6 56.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 1.0600000000000001 109.952 -179.607 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.62 -42.64 99.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 1.0800000000000001 109.431 -179.838 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.26 -35.43 73.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.182 -0.949 . . . . 1.9299999999999999 109.267 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.87 -52.37 50.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.126 179.92 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.06 -36.52 79.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.363 -0.836 . . . . 2.1899999999999999 109.037 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.76 -36.11 66.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.48 -0.763 . . . . 1.4299999999999999 109.275 179.834 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.01 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 1.3100000000000001 109.628 179.931 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.5 -4.14 55.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.293 -0.879 . . . . 1.3999999999999999 109.694 -179.87 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -87.69 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 1.5700000000000001 109.601 -179.924 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.67 72.5 1.03 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.819 -1.312 . . . . 1.53 109.819 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.1 114.96 23.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.159 -1.201 . . . . 4.5800000000000001 109.11 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.36 109.7 1.06 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 5.6799999999999997 109.533 -179.791 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.98 136.38 60.89 Favored 'Trans proline' 0 C--O 1.216 -0.612 0 N-CA-C 109.752 -0.903 . . . . 6.0499999999999998 109.752 -179.749 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.953 -1.47 . . . . 7.2000000000000002 109.561 179.909 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.448 ' CD ' ' N ' ' C' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.314 -0.624 . . . . 9.2200000000000006 109.314 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' C' ' 322' ' ' PRO . 87.3 mttt 54.55 -136.26 1.33 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.28 -0.887 . . . . 8.5099999999999998 109.801 179.837 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' C' ' 320' ' ' LYS . 17.0 mmtp 19.48 -80.9 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.495 0 CA-C-O 118.057 -0.973 . . . . 7.4199999999999999 112.601 -179.637 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.494 ' N ' ' O ' ' C' ' 320' ' ' LYS . 1.0 OUTLIER -54.78 -45.69 39.0 Favored 'Trans proline' 0 N--CA 1.483 0.866 0 CA-C-N 120.714 1.291 . . . . 5.0499999999999998 110.68 179.675 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.3 mm? -77.92 33.71 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.902 . . . . 5.1399999999999997 110.316 -179.073 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' C' ' 322' ' ' PRO . 18.5 m-20 -78.11 107.77 10.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.095 -1.003 . . . . 2.8500000000000001 109.207 179.67 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -72.21 156.13 52.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.877 -1.289 . . . . 1.27 109.877 180.0 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.57 125.0 22.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -1.123 . . . . 2.1099999999999999 109.385 179.715 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 72.7 m-85 -97.34 153.13 18.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.218 -0.926 . . . . 1.01 109.97 -179.834 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -140.41 137.75 34.22 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.721 -0.844 . . . . 0.57999999999999996 108.721 179.079 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.1 p -94.78 163.41 13.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.306 -0.872 . . . . 1.1599999999999999 109.034 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.96 132.74 16.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.08 -1.013 . . . . 1.1699999999999999 110.208 -179.072 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.62 127.23 33.96 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.61 -0.885 . . . . 1.8100000000000001 108.61 179.408 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.25 111.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.533 -0.73 . . . . 1.1299999999999999 109.844 -179.349 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.5 152.6 37.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.533 -0.729 . . . . 2.8199999999999998 109.572 179.569 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 131.67 4.16 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 109.967 -1.253 . . . . 0.45000000000000001 109.967 179.533 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.79 -51.94 8.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 3.0800000000000001 109.55 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.35 -38.83 78.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 2.54 109.686 -179.526 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.05 -42.06 99.63 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.207 -0.933 . . . . 4.1100000000000003 109.693 -179.938 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -53.76 -53.42 52.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.475 -0.766 . . . . 0.56999999999999995 109.888 -179.769 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.56 57.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 1.6599999999999999 110.091 -179.519 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.15 -51.34 66.84 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.187 -0.946 . . . . 1.29 110.488 -179.127 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.69 -42.56 97.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.98 . . . . 0.40000000000000002 109.085 -179.628 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.39 63.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.278 -0.889 . . . . 3.8500000000000001 109.513 179.718 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -60.76 -46.33 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.389 -0.819 . . . . 1.78 110.036 -179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.95 -41.13 95.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.24 -0.913 . . . . 1.1699999999999999 109.497 -179.721 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.88 -50.36 74.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 1.2 109.656 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.94 81.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 2.1200000000000001 109.717 -179.762 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.45 -53.67 55.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 109.92 -179.607 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.59 -42.62 99.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 109.444 -179.765 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.31 -35.4 73.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 2.0899999999999999 109.218 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.88 -52.33 51.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 1.3799999999999999 109.153 179.899 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.13 -36.45 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 2.6800000000000002 109.064 179.764 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.75 -36.12 66.93 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.554 -0.716 . . . . 1.3400000000000001 109.319 179.73 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.08 80.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.3 109.631 179.909 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -81.42 -4.28 55.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 1.8 109.621 -179.811 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -87.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 1.47 109.58 -179.913 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.52 72.54 1.0 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.798 -1.321 . . . . 1.6599999999999999 109.798 -179.884 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.215 -1.168 . . . . 4.7800000000000002 109.058 179.896 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.43 109.56 1.04 Allowed Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.86 . . . . 6.1900000000000004 109.536 -179.893 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.86 136.34 61.15 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 N-CA-C 109.779 -0.893 . . . . 6.1799999999999997 109.779 -179.801 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.531 -1.427 . . . . 6.9000000000000004 109.531 179.892 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.272 -0.64 . . . . 7.6900000000000004 109.272 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' D' ' 322' ' ' PRO . 87.3 mttt 54.4 -136.25 1.34 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.875 . . . . 7.4500000000000002 109.831 179.853 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 17.0 mmtp 19.61 -81.05 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.49 0 CA-C-O 118.095 -0.955 . . . . 6.8399999999999999 112.53 -179.632 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' D' ' 320' ' ' LYS . 1.0 OUTLIER -54.73 -45.7 38.98 Favored 'Trans proline' 0 N--CA 1.482 0.842 0 CA-C-N 120.717 1.292 . . . . 5.1200000000000001 110.69 179.745 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.2 mm? -77.82 33.56 0.18 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.229 -0.919 . . . . 4.6600000000000001 110.305 -179.098 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' D' ' 322' ' ' PRO . 18.6 m-20 -78.12 107.76 10.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.128 -0.982 . . . . 2.46 109.226 179.695 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.14 155.94 51.99 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.882 -1.287 . . . . 1.0800000000000001 109.882 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.42 124.9 21.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 1.6699999999999999 109.422 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 72.7 m-85 -97.3 153.09 18.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.204 -0.935 . . . . 1.01 110.008 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.3 137.67 34.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.744 -0.836 . . . . 0.63 108.744 179.082 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -94.7 163.45 13.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.873 . . . . 1.1299999999999999 109.093 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.0 132.78 16.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 1.1000000000000001 110.142 -179.059 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.69 127.24 34.0 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.422 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.27 111.22 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.51 -0.744 . . . . 1.1499999999999999 109.84 -179.317 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.36 152.53 38.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.421 -0.8 . . . . 2.77 109.624 179.49 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 131.78 4.17 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.011 -1.236 . . . . 0.42999999999999999 110.011 179.511 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.87 -51.82 8.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -1.103 . . . . 3.1200000000000001 109.634 179.94 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.31 -38.93 78.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.11 -0.994 . . . . 2.2200000000000002 109.77 -179.641 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -62.96 -42.09 99.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.218 -0.926 . . . . 3.5 109.705 -179.951 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.71 -53.46 51.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.453 -0.779 . . . . 0.5 109.89 -179.773 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.62 57.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 110.061 -179.531 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.16 -51.26 67.13 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.208 -0.933 . . . . 1.1399999999999999 110.495 -179.08 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.7 -42.61 97.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.32000000000000001 109.037 -179.644 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.4 63.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.294 -0.879 . . . . 2.96 109.476 179.772 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.78 -46.34 90.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.75 109.957 -179.669 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.98 -41.1 95.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 109.492 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.87 -50.32 74.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.157 -0.965 . . . . 1.22 109.689 179.888 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.72 -35.94 81.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 1.73 109.71 -179.721 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.5 57.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.171 -0.956 . . . . 1.0700000000000001 109.963 -179.61 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.7 -42.62 99.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.89 . . . . 1.1100000000000001 109.42 -179.845 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.29 -35.33 73.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 1.9099999999999999 109.252 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.96 -52.39 50.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -0.84 . . . . 1.1699999999999999 109.175 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.96 -36.43 79.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 2.1499999999999999 109.089 179.756 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' B' ' 337' ' ' ARG . 9.7 m-20 -55.8 -36.18 67.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.489 -0.757 . . . . 1.4399999999999999 109.239 179.823 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.96 80.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 1.3 109.601 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.51 -4.21 55.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 1.3999999999999999 109.624 -179.889 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -87.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 1.6000000000000001 109.629 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.61 72.51 1.01 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.767 -1.333 . . . . 1.5 109.767 -179.852 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.04 114.93 23.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 4.5499999999999998 109.12 179.876 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.33 109.6 1.04 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.347 -0.846 . . . . 5.6699999999999999 109.492 -179.883 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.89 136.4 61.37 Favored 'Trans proline' 0 C--O 1.215 -0.646 0 N-CA-C 109.801 -0.884 . . . . 6.1200000000000001 109.801 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.487 -1.445 . . . . 7.2699999999999996 109.487 179.91 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.252 -0.647 . . . . 7.6600000000000001 109.252 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 321' ' ' LYS . 20.1 mtmm 52.36 50.35 18.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 7.5099999999999998 109.885 179.689 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 320' ' ' LYS . 48.0 mttp 56.73 152.12 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.796 -0.565 . . . . 6.8099999999999996 109.781 179.573 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.3 -81.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 121.091 1.194 . . . . 5.1500000000000004 110.584 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.82 121.34 25.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.209 -0.932 . . . . 4.7000000000000002 110.03 -178.953 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -81.97 -133.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 2.48 109.494 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.55 171.39 40.89 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.011 -1.236 . . . . 1.0800000000000001 110.011 -179.956 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -60.43 137.87 58.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.385 -1.068 . . . . 1.7 109.742 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -95.83 158.4 15.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.272 -0.893 . . . . 1.04 109.89 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 98.4 m-85 -140.08 -169.68 2.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.479 -0.763 . . . . 0.65000000000000002 109.489 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.48 151.03 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.241 -0.912 . . . . 1.1399999999999999 108.676 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -142.69 134.16 26.39 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.314 -0.866 . . . . 1.0900000000000001 110.073 -178.327 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 35.2 tp60 -84.65 129.03 34.89 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.513 -0.921 . . . . 1.3700000000000001 108.513 178.917 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.38 113.71 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.442 -0.786 . . . . 1.1499999999999999 109.115 -179.68 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.81 147.55 41.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.537 -0.727 . . . . 2.79 109.751 179.922 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.02 136.83 5.4 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.108 -1.197 . . . . 0.45000000000000001 110.108 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.27 -50.51 8.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -1.108 . . . . 3.1600000000000001 109.341 179.694 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.02 -37.99 69.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 109.02 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.75 -44.5 85.76 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.691 -0.855 . . . . 3.54 108.691 179.244 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.86 -50.8 69.59 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.703 -0.623 . . . . 0.5 109.81 179.912 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.59 -40.09 62.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.336 -0.853 . . . . 1.6599999999999999 110.014 -179.484 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.94 -49.5 74.52 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 110.341 -179.133 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.84 -44.27 97.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.34000000000000002 109.29 -179.642 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.94 -43.44 60.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 2.9399999999999999 109.467 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.03 -49.65 76.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 1.74 109.454 -179.996 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.09 -36.35 77.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 1.0700000000000001 108.602 179.582 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.76 -57.99 10.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 1.22 109.367 179.571 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.3 -32.0 73.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.465 -0.772 . . . . 1.72 109.925 -179.753 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.26 66.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.918 -179.396 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.14 -47.51 85.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 1.0800000000000001 109.368 -179.959 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.79 62.2 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 108.865 179.643 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -57.95 6.5 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.348 -0.982 . . . . 1.1499999999999999 108.348 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.473 ' CB ' ' NZ ' ' A' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.13 71.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.843 0.83 . . . . 2.1400000000000001 108.778 -179.819 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.37 -37.96 76.28 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.739 -0.601 . . . . 1.4299999999999999 109.668 179.6 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.39 72.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 1.3 109.822 -179.634 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -80.39 1.79 27.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.4199999999999999 109.732 -179.724 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.34 -84.57 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.167 -0.958 . . . . 1.5800000000000001 109.423 179.952 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.21 99.08 1.79 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.537 -1.425 . . . . 1.54 109.537 179.981 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.25 93.26 9.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.249 -1.148 . . . . 4.5499999999999998 109.358 179.981 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.4 119.08 12.14 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 5.71 109.345 179.956 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.02 135.32 65.73 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 N-CA-C 109.81 -0.881 . . . . 6.0899999999999999 109.81 179.883 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 118.005 -1.442 . . . . 7.2400000000000002 109.529 -179.918 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.26 -0.644 . . . . 7.6699999999999999 109.26 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' B' ' 321' ' ' LYS . 20.2 mtmm 52.39 50.36 18.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.836 . . . . 7.46 109.964 179.732 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' B' ' 320' ' ' LYS . 47.9 mttp 56.79 152.23 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.836 -0.54 . . . . 6.79 109.731 179.598 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -61.4 -80.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.055 1.17 . . . . 5.1500000000000004 110.642 -179.986 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.86 121.32 25.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 4.6600000000000001 109.985 -178.973 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -81.97 -133.35 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.39 -0.819 . . . . 2.4700000000000002 109.485 179.599 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.87 171.42 41.89 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.893 -1.283 . . . . 1.0600000000000001 109.893 -179.858 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -60.41 137.77 58.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -1.12 . . . . 1.6100000000000001 109.789 179.992 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.69 158.39 15.47 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.276 -0.89 . . . . 0.96999999999999997 109.891 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.491 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 98.3 m-85 -139.99 -169.61 2.77 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.364 -0.835 . . . . 0.59999999999999998 109.465 -179.94 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.37 151.3 32.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.287 -0.883 . . . . 1.1000000000000001 108.698 179.803 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.03 133.87 25.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.124 -0.985 . . . . 1.1000000000000001 110.082 -178.339 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 34.6 tp60 -84.46 129.07 34.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.499 -0.926 . . . . 1.3600000000000001 108.499 179.024 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.32 113.69 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.412 -0.805 . . . . 1.1699999999999999 109.238 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.9 147.62 40.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.525 -0.735 . . . . 2.79 109.713 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 136.87 5.37 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.999 -1.24 . . . . 0.47999999999999998 109.999 179.546 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.567 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -50.49 8.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.334 -1.098 . . . . 3.2200000000000002 109.306 179.649 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.21 -37.47 69.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.212 -0.93 . . . . 2.21 108.983 -179.947 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.2 -44.37 84.1 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.659 -0.867 . . . . 3.5499999999999998 108.659 179.299 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.94 -50.72 69.99 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.736 -0.603 . . . . 0.52000000000000002 109.751 179.913 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.66 -40.13 62.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.376 -0.827 . . . . 1.6799999999999999 109.962 -179.412 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.89 -49.53 74.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 110.358 -179.169 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -60.79 -44.33 96.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.069 -1.019 . . . . 0.33000000000000002 109.251 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.97 -43.52 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.927 . . . . 3.02 109.366 179.738 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.91 -49.79 76.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 1.75 109.44 -179.993 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.11 -36.38 77.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.216 -0.928 . . . . 1.0700000000000001 108.576 179.666 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.69 -57.98 10.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.416 -0.802 . . . . 1.21 109.358 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.34 -32.14 73.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.431 -0.793 . . . . 1.6899999999999999 109.939 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.18 66.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 1.0600000000000001 109.92 -179.408 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.32 -47.27 86.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.0800000000000001 109.32 -179.94 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -57.88 -26.79 62.59 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.297 -0.877 . . . . 1.9299999999999999 108.778 179.671 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -57.84 6.81 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.401 -0.963 . . . . 1.1399999999999999 108.401 179.773 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.484 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 2.7 ttmp? -59.04 -34.22 71.67 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.771 -0.826 . . . . 2.1899999999999999 108.771 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.774 -0.579 . . . . 1.4299999999999999 109.615 179.612 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -46.48 72.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 1.3100000000000001 109.84 -179.659 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -80.37 1.74 27.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -0.902 . . . . 1.3999999999999999 109.679 -179.687 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.39 -84.54 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.141 -0.975 . . . . 1.5700000000000001 109.398 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.22 99.08 1.79 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.621 -1.392 . . . . 1.53 109.621 179.952 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.18 93.26 9.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.235 . . . . 4.5800000000000001 109.379 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.51 119.12 12.44 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 5.6799999999999997 109.258 -179.983 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.03 135.38 66.09 Favored 'Trans proline' 0 C--O 1.214 -0.708 0 N-CA-C 109.763 -0.899 . . . . 6.0499999999999998 109.763 179.841 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.986 -1.452 . . . . 7.2000000000000002 109.545 -179.976 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.411 ' H1 ' ' H ' ' C' ' 320' ' ' LYS . 29.4 ttmt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.237 -0.653 . . . . 9.2200000000000006 109.237 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' C' ' 321' ' ' LYS . 20.1 mtmm 52.45 50.26 18.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.301 -0.874 . . . . 8.5099999999999998 109.9 179.645 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' C' ' 320' ' ' LYS . 48.0 mttp 56.83 152.19 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.821 -0.55 . . . . 7.4199999999999999 109.662 179.52 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.27 -81.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.794 0 C-N-CA 121.092 1.194 . . . . 5.0499999999999998 110.629 179.965 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.81 121.29 25.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 5.1399999999999997 110.039 -178.967 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -81.99 -133.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.823 . . . . 2.8500000000000001 109.546 179.58 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.81 171.36 41.78 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.933 -1.267 . . . . 1.27 109.933 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.38 137.82 58.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.332 -1.099 . . . . 2.1099999999999999 109.743 179.98 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.74 158.47 15.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.324 -0.86 . . . . 1.01 109.846 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 98.5 m-85 -140.07 -169.44 2.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.57999999999999996 109.496 179.99 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.74 150.86 31.56 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.637 -0.875 . . . . 1.1599999999999999 108.637 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -142.62 134.21 26.61 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.29 -0.881 . . . . 1.1699999999999999 110.042 -178.293 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 35.1 tp60 -84.74 129.04 34.88 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.474 -0.935 . . . . 1.8100000000000001 108.474 178.994 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.37 113.79 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.406 -0.809 . . . . 1.1299999999999999 109.161 -179.675 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.86 147.45 41.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.588 -0.695 . . . . 2.8199999999999998 109.835 179.931 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.05 136.9 5.44 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.06 -1.216 . . . . 0.45000000000000001 110.06 179.579 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -50.4 8.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.334 -1.098 . . . . 3.0800000000000001 109.334 179.713 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.1 -37.91 70.03 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.254 -0.904 . . . . 2.54 108.993 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.83 -44.48 85.42 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.677 -0.86 . . . . 4.1100000000000003 108.677 179.268 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.82 -50.88 69.32 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.616 -0.677 . . . . 0.56999999999999995 109.809 179.861 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.6 -40.09 62.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.373 -0.829 . . . . 1.6599999999999999 109.995 -179.467 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.9 -49.44 74.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.318 -0.864 . . . . 1.29 110.43 -179.212 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.9 -44.3 97.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.066 -1.021 . . . . 0.40000000000000002 109.216 -179.609 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -50.94 -43.52 60.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 3.8500000000000001 109.39 179.71 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.92 -49.77 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.78 109.469 179.987 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.98 -36.47 77.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 1.1699999999999999 108.564 179.622 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.64 -58.0 10.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.518 -0.739 . . . . 1.2 109.313 179.634 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.36 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 2.1200000000000001 109.94 -179.726 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.25 66.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.93 -179.489 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.23 -47.33 86.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.082 -1.011 . . . . 1.1399999999999999 109.364 -179.942 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -57.83 -26.81 62.53 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.0899999999999999 108.768 179.66 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -57.97 6.59 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.331 -0.989 . . . . 1.3799999999999999 108.331 179.798 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.2 71.6 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.773 -0.825 . . . . 2.6800000000000002 108.773 -179.831 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.31 -38.01 76.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.312 0.577 . . . . 1.3400000000000001 109.7 179.573 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.48 71.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.902 . . . . 1.3 109.826 -179.619 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -80.32 1.76 27.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.292 -0.88 . . . . 1.8 109.712 -179.737 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.29 -84.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.095 -1.003 . . . . 1.47 109.412 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.14 99.02 1.78 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.582 -1.407 . . . . 1.6599999999999999 109.582 179.94 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.17 93.27 9.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.244 -1.151 . . . . 4.7800000000000002 109.356 179.967 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.53 119.14 12.53 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.332 -0.855 . . . . 6.1900000000000004 109.246 -179.967 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.04 135.41 66.25 Favored 'Trans proline' 0 C--O 1.215 -0.653 0 N-CA-C 109.743 -0.907 . . . . 6.1799999999999997 109.743 179.809 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 CA-C-O 117.99 -1.45 . . . . 6.9000000000000004 109.523 -179.957 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.299 -0.63 . . . . 7.6900000000000004 109.299 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' D' ' 321' ' ' LYS . 20.1 mtmm 52.38 50.4 18.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.287 -0.883 . . . . 7.4500000000000002 109.903 179.732 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' D' ' 320' ' ' LYS . 47.9 mttp 56.75 152.2 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.826 -0.546 . . . . 6.8399999999999999 109.756 179.523 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.36 -80.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.74 0 C-N-CA 121.115 1.21 . . . . 5.1200000000000001 110.615 -179.981 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.85 121.38 25.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.219 -0.926 . . . . 4.6600000000000001 109.957 -178.962 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.03 -133.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.356 -0.84 . . . . 2.46 109.475 179.524 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.67 171.42 41.21 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.923 -1.271 . . . . 1.0800000000000001 109.923 -179.825 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.42 137.77 58.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.346 -1.09 . . . . 1.6699999999999999 109.634 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.77 158.12 15.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.374 -0.829 . . . . 1.01 109.899 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.551 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 98.3 m-85 -139.87 -169.79 2.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.395 -0.816 . . . . 0.63 109.502 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.05 151.67 33.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.205 -0.935 . . . . 1.1299999999999999 108.633 179.872 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.5 tp -143.37 133.7 24.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.27 -0.894 . . . . 1.1000000000000001 109.994 -178.3 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 35.1 tp60 -84.31 129.09 34.9 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.505 -0.924 . . . . 1.3700000000000001 108.505 178.974 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.42 113.81 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.372 -0.83 . . . . 1.1499999999999999 109.205 -179.788 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.91 147.51 40.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.49 -0.756 . . . . 2.77 109.727 -179.958 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 136.84 5.44 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.041 -1.224 . . . . 0.42999999999999999 110.041 179.547 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.25 -50.46 8.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -1.093 . . . . 3.1200000000000001 109.323 179.656 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -56.17 -37.68 69.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.969 -179.988 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -65.97 -44.52 84.69 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.659 -0.867 . . . . 3.5 108.659 179.21 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.76 -50.93 69.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.668 -0.645 . . . . 0.5 109.768 179.944 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -52.52 -40.06 62.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 110.062 -179.508 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.94 -49.54 74.33 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 110.422 -179.197 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.72 -44.34 96.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.053 -1.029 . . . . 0.32000000000000001 109.265 -179.691 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.02 -43.4 60.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.296 -0.878 . . . . 2.96 109.378 179.773 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.94 -49.78 76.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -0.941 . . . . 1.75 109.497 179.964 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -36.5 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 108.595 179.637 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -58.61 -57.96 10.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.498 -0.751 . . . . 1.22 109.392 179.559 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.37 -32.04 73.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 1.73 109.971 -179.776 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.23 66.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.883 -179.423 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -47.39 86.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 1.1100000000000001 109.286 -179.855 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.69 62.06 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 108.863 179.589 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -58.0 6.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.329 -0.989 . . . . 1.1699999999999999 108.329 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.486 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 2.7 ttmp? -58.94 -34.11 71.38 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.838 0.828 . . . . 2.1499999999999999 108.804 -179.862 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.42 -37.94 76.41 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.35 0.595 . . . . 1.4399999999999999 109.586 179.67 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.5 71.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.143 -0.973 . . . . 1.3 109.816 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -80.28 1.68 27.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.308 -0.87 . . . . 1.3999999999999999 109.758 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.24 -84.56 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.12 -0.987 . . . . 1.6000000000000001 109.46 179.938 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.22 99.04 1.79 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.624 -1.39 . . . . 1.5 109.624 179.939 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.15 93.26 9.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -1.184 . . . . 4.5499999999999998 109.318 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.45 119.06 12.19 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 5.6699999999999999 109.308 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -58.97 135.39 66.35 Favored 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.861 -0.861 . . . . 6.1200000000000001 109.861 179.778 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 CA-C-O 117.921 -1.488 . . . . 7.2699999999999996 109.6 -179.967 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.48 ' C ' ' H ' ' A' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.332 -0.618 . . . . 7.6600000000000001 109.332 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.5 OUTLIER 73.1 -38.19 0.41 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 7.5099999999999998 109.469 179.958 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 319' ' ' LYS . 47.3 tttm 52.63 67.86 3.56 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 6.8099999999999996 109.819 179.83 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.85 133.0 36.97 Favored 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.453 1.435 . . . . 5.1500000000000004 109.947 -179.772 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.9 mt -80.98 111.57 17.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 4.7000000000000002 109.226 179.717 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.703 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 5.6 m-20 -79.96 -148.98 0.05 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.34 -0.85 . . . . 2.48 109.808 -179.832 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 179.72 21.88 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.784 -1.327 . . . . 1.0800000000000001 109.784 -179.866 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.97 136.29 57.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 1.7 109.728 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.703 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 79.5 m-85 -94.09 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.253 -0.904 . . . . 1.04 109.534 179.768 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.93 -172.91 3.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.65000000000000002 109.419 -179.943 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -150.93 150.14 30.48 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.558 -0.904 . . . . 1.1399999999999999 108.558 -179.982 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -141.74 132.27 25.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.258 -0.902 . . . . 1.0900000000000001 109.693 -178.771 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -85.64 129.87 34.71 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.828 -0.804 . . . . 1.3700000000000001 108.828 179.304 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.57 114.18 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.446 -0.784 . . . . 1.1499999999999999 109.1 -179.759 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.79 144.87 43.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.434 -0.791 . . . . 2.79 109.783 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.43 134.67 5.37 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.114 -1.194 . . . . 0.45000000000000001 110.114 179.532 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -80.92 -42.89 20.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.464 -1.021 . . . . 3.1600000000000001 109.32 179.566 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.41 -45.32 88.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 2.2200000000000002 109.336 179.772 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.7 -40.68 97.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 3.54 109.227 179.871 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.14 -54.0 50.36 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.522 -0.736 . . . . 0.5 109.99 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -50.84 -39.07 52.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 1.6599999999999999 110.123 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.92 -51.18 67.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.196 -0.94 . . . . 1.1499999999999999 110.302 -179.362 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -45.66 93.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.079 -1.013 . . . . 0.34000000000000002 109.188 -179.732 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.53 -42.52 61.84 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.282 -0.887 . . . . 2.9399999999999999 109.511 179.733 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.22 -51.08 71.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 1.74 109.809 -179.77 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.51 -37.01 79.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.16 -0.962 . . . . 1.0700000000000001 108.801 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.63 -54.48 46.64 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.41 -0.806 . . . . 1.22 109.392 179.654 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.77 -32.42 73.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.394 -0.816 . . . . 1.72 109.812 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.85 -56.67 19.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.348 -0.845 . . . . 1.0700000000000001 110.115 -179.446 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.82 -42.76 98.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.14 -0.975 . . . . 1.0800000000000001 109.284 -179.813 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.26 -37.1 74.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 1.9099999999999999 108.867 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.65 -42.44 98.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.517 -0.92 . . . . 1.1499999999999999 108.517 179.56 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.67 -53.8 41.75 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.802 -0.814 . . . . 2.1400000000000001 108.802 178.916 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.1 62.12 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.736 -0.602 . . . . 1.4299999999999999 109.603 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.35 85.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 1.3 109.494 -179.811 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.62 -10.83 58.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.865 . . . . 1.4199999999999999 109.318 179.934 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -7.11 48.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.92 . . . . 1.5800000000000001 109.283 179.778 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -9.5 78.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.366 -1.494 . . . . 1.54 109.366 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.05 136.17 33.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -1.134 . . . . 4.5499999999999998 109.273 -179.942 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 360' ' ' GLY . 97.3 mt-10 -51.1 150.7 5.42 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 5.71 109.116 -179.805 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.55 4.25 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 120.89 1.06 . . . . 6.0899999999999999 110.137 179.297 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.008 -1.44 . . . . 7.2400000000000002 109.666 -179.95 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' B' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.399 -0.593 . . . . 7.6699999999999999 109.399 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.5 OUTLIER 73.04 -38.17 0.41 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.508 -0.745 . . . . 7.46 109.525 -179.927 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' B' ' 319' ' ' LYS . 47.3 tttm 52.67 67.78 3.62 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.162 -0.961 . . . . 6.79 109.837 179.836 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.79 133.02 37.22 Favored 'Trans proline' 0 C--N 1.316 -1.142 0 C-N-CA 121.391 1.394 . . . . 5.1500000000000004 110.005 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.06 111.66 17.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 4.6600000000000001 109.221 179.747 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.688 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 5.6 m-20 -80.06 -149.0 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.4700000000000002 109.769 -179.796 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 179.59 22.06 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 1.0600000000000001 109.757 -179.804 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -59.95 136.23 57.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -1.091 . . . . 1.6100000000000001 109.784 -179.94 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.688 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 79.2 m-85 -94.06 162.34 13.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.275 -0.891 . . . . 0.96999999999999997 109.552 179.841 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.9 -172.87 3.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.352 -0.843 . . . . 0.59999999999999998 109.425 -179.864 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -151.0 150.19 30.47 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.566 -0.902 . . . . 1.1000000000000001 108.566 -179.979 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.87 132.23 25.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.275 -0.891 . . . . 1.1000000000000001 109.648 -178.688 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.62 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.808 -0.812 . . . . 1.3600000000000001 108.808 179.349 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.56 114.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.51 -0.744 . . . . 1.1699999999999999 109.092 -179.815 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.8 144.84 43.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.455 -0.778 . . . . 2.79 109.825 -179.964 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.46 134.59 5.36 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.182 -1.167 . . . . 0.47999999999999998 110.182 179.573 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.85 -42.91 20.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.414 -1.05 . . . . 3.2200000000000002 109.273 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.4 -45.39 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.21 109.28 179.799 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.68 -40.67 97.84 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.296 -0.877 . . . . 3.5499999999999998 109.287 179.923 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.09 -54.0 50.3 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.513 -0.742 . . . . 0.52000000000000002 109.953 -179.85 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -50.84 -39.2 52.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 110.037 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.82 -51.18 68.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.206 -0.934 . . . . 1.1499999999999999 110.288 -179.308 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.31 -45.69 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 0.33000000000000002 109.188 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.41 -42.67 61.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.287 -0.883 . . . . 3.02 109.472 179.67 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.17 -51.13 70.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.127 -0.983 . . . . 1.75 109.858 -179.753 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.53 -36.91 79.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 108.788 179.936 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.67 -54.44 47.07 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.427 -0.796 . . . . 1.21 109.388 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.48 73.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.337 -0.852 . . . . 1.6899999999999999 109.741 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.7 18.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 1.0600000000000001 110.072 -179.484 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.83 -42.82 98.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.101 -0.999 . . . . 1.0800000000000001 109.32 -179.785 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.31 -36.97 74.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.193 -0.942 . . . . 1.9299999999999999 108.911 179.578 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.66 -42.42 98.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.484 -0.932 . . . . 1.1399999999999999 108.484 179.477 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.65 -53.85 41.02 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.779 -0.822 . . . . 2.1899999999999999 108.779 178.899 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -30.08 62.13 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.792 -0.567 . . . . 1.4299999999999999 109.64 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.43 85.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.3100000000000001 109.5 -179.802 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -82.52 -10.86 58.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 1.3999999999999999 109.363 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.52 -7.13 48.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 1.5700000000000001 109.301 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -9.41 79.24 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.413 -1.475 . . . . 1.53 109.413 179.876 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.04 136.16 33.35 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.181 -1.188 . . . . 4.5800000000000001 109.312 179.962 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.537 ' C ' ' H ' ' B' ' 360' ' ' GLY . 97.2 mt-10 -51.26 150.79 5.69 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.225 -0.922 . . . . 5.6799999999999997 109.107 -179.727 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.54 4.22 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 120.953 1.102 . . . . 6.0499999999999998 110.162 179.313 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.361 0 CA-C-O 118.04 -1.422 . . . . 7.2000000000000002 109.586 179.991 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' C' ' 321' ' ' LYS . 16.9 pttp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.428 -0.582 . . . . 9.2200000000000006 109.428 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.5 OUTLIER 73.17 -38.25 0.41 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.62 -0.675 . . . . 8.5099999999999998 109.482 -179.989 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' C' ' 319' ' ' LYS . 47.3 tttm 52.66 67.87 3.55 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 7.4199999999999999 109.764 179.845 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.77 132.92 36.86 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 121.425 1.417 . . . . 5.0499999999999998 109.984 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 43.0 mt -80.97 111.72 17.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 5.1399999999999997 109.26 179.653 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.683 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 5.6 m-20 -80.09 -148.95 0.06 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 2.8500000000000001 109.753 -179.788 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 179.69 22.16 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.772 -1.331 . . . . 1.27 109.772 -179.801 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.94 136.23 57.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.346 -1.091 . . . . 2.1099999999999999 109.718 -179.94 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.683 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 79.4 m-85 -94.0 162.42 13.89 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -0.918 . . . . 1.01 109.601 179.73 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.06 -172.95 3.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.57999999999999996 109.461 -179.917 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -150.95 150.06 30.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.25 -0.907 . . . . 1.1599999999999999 108.627 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.69 132.39 25.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.278 -0.889 . . . . 1.1699999999999999 109.706 -178.747 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.71 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.791 -0.818 . . . . 1.8100000000000001 108.791 179.399 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.58 114.14 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.433 -0.792 . . . . 1.1299999999999999 109.084 -179.745 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.73 144.82 43.48 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.391 -0.818 . . . . 2.8199999999999998 109.777 -179.924 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.36 134.59 5.32 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.139 -1.184 . . . . 0.45000000000000001 110.139 179.558 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.8 -42.91 20.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.445 -1.032 . . . . 3.0800000000000001 109.246 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.52 -45.27 89.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.316 -0.865 . . . . 2.54 109.278 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -62.71 -40.65 97.84 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.272 -0.893 . . . . 4.1100000000000003 109.283 179.81 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.18 -54.02 50.18 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.74 . . . . 0.56999999999999995 109.93 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.74 -39.25 51.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.322 -0.861 . . . . 1.6599999999999999 110.034 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.9 -51.07 68.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.177 -0.952 . . . . 1.29 110.305 -179.288 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.37 -45.64 93.51 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.40000000000000002 109.192 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.49 -42.51 61.73 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.357 -0.839 . . . . 3.8500000000000001 109.538 179.66 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.26 -51.05 71.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.202 -0.936 . . . . 1.78 109.818 -179.766 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.58 -36.97 79.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 1.1699999999999999 108.761 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.66 -54.48 46.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.465 -0.772 . . . . 1.2 109.427 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.66 -32.57 73.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.387 -0.821 . . . . 2.1200000000000001 109.799 -179.897 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.75 18.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 1.0700000000000001 110.117 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -42.73 98.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 1.1399999999999999 109.36 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.32 -37.01 74.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 108.871 179.528 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.68 -42.49 98.01 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.492 -0.929 . . . . 1.3799999999999999 108.492 179.492 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.64 -53.73 42.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.796 -0.816 . . . . 2.6800000000000002 108.796 178.959 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.18 62.22 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.237 0.541 . . . . 1.3400000000000001 109.647 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.4 85.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.3 109.54 -179.857 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.51 -10.89 58.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 1.8 109.389 179.869 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.47 -7.12 48.27 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 1.47 109.29 179.818 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -9.5 79.1 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.423 -1.471 . . . . 1.6599999999999999 109.423 179.92 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.07 136.27 33.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -1.123 . . . . 4.7800000000000002 109.259 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.54 ' C ' ' H ' ' C' ' 360' ' ' GLY . 97.3 mt-10 -51.22 150.76 5.62 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.182 -0.948 . . . . 6.1900000000000004 109.144 -179.783 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.46 4.06 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 120.946 1.097 . . . . 6.1799999999999997 110.165 179.308 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.934 -1.481 . . . . 6.9000000000000004 109.642 -179.962 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' D' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.419 -0.586 . . . . 7.6900000000000004 109.419 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.5 OUTLIER 73.1 -38.24 0.41 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.619 -0.676 . . . . 7.4500000000000002 109.534 -179.924 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' D' ' 319' ' ' LYS . 47.2 tttm 52.61 67.85 3.57 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 6.8399999999999999 109.82 179.874 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.7 132.91 37.02 Favored 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.449 1.433 . . . . 5.1200000000000001 110.001 -179.884 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 42.9 mt -80.91 111.68 17.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.28 -0.887 . . . . 4.6600000000000001 109.227 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.686 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 5.6 m-20 -80.09 -148.97 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 2.46 109.76 -179.843 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.78 179.74 21.94 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.797 -1.321 . . . . 1.0800000000000001 109.797 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.09 136.24 57.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -1.089 . . . . 1.6699999999999999 109.755 -179.902 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.686 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 79.5 m-85 -94.07 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.347 -0.846 . . . . 1.01 109.565 179.791 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -139.85 -172.87 3.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.283 -0.885 . . . . 0.63 109.437 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -150.99 150.21 30.51 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.541 -0.911 . . . . 1.1299999999999999 108.541 179.986 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -141.89 132.2 25.02 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.93 . . . . 1.1000000000000001 109.695 -178.735 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.56 129.93 34.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.803 -0.814 . . . . 1.3700000000000001 108.803 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.6 114.22 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.392 -0.818 . . . . 1.1499999999999999 109.099 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.86 144.81 43.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.429 -0.795 . . . . 2.77 109.742 -179.855 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.45 134.68 5.38 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.125 -1.19 . . . . 0.42999999999999999 110.125 179.548 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.92 -42.89 20.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.449 -1.03 . . . . 3.1200000000000001 109.269 179.633 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.49 -45.3 89.0 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.239 179.819 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.303 -0.873 . . . . 3.5 109.266 179.864 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -56.12 -53.99 50.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.544 -0.723 . . . . 0.5 109.986 -179.845 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.79 -39.14 52.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.421 -0.799 . . . . 1.6899999999999999 110.121 -179.574 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.95 -51.13 68.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 110.317 -179.305 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.19 -45.7 93.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.138 -0.976 . . . . 0.32000000000000001 109.233 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.5 -42.52 61.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.223 -0.923 . . . . 2.96 109.542 179.712 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.18 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.02 . . . . 1.75 109.828 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.51 -37.02 79.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 108.761 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.68 -54.36 47.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.22 109.438 179.63 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.46 73.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.377 -0.827 . . . . 1.73 109.776 -179.834 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.7 18.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.87 . . . . 1.0700000000000001 110.093 -179.491 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.77 -42.86 98.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 1.1100000000000001 109.317 -179.789 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.22 -37.06 74.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.954 . . . . 1.9099999999999999 108.881 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -42.65 98.25 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.508 -0.923 . . . . 1.1699999999999999 108.508 179.484 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.52 -53.83 41.86 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.76 -0.829 . . . . 2.1499999999999999 108.76 179.02 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.23 62.12 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.219 0.533 . . . . 1.4399999999999999 109.613 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.39 85.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.3 109.431 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -82.58 -10.87 58.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.279 -0.888 . . . . 1.3999999999999999 109.331 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.47 -7.09 48.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 1.6000000000000001 109.263 179.829 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -9.49 78.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.375 -1.49 . . . . 1.5 109.375 179.921 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -85.99 136.13 33.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -1.133 . . . . 4.5499999999999998 109.287 179.979 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.54 ' C ' ' H ' ' D' ' 360' ' ' GLY . 97.2 mt-10 -51.18 150.77 5.53 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 5.6699999999999999 109.081 -179.773 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.52 4.14 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 120.945 1.097 . . . . 6.1200000000000001 110.159 179.297 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.375 0 CA-C-O 117.989 -1.45 . . . . 7.2699999999999996 109.567 -179.95 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.51 -0.552 . . . . 7.6600000000000001 109.51 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 76.7 mttt 55.03 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.43 -0.794 . . . . 7.5099999999999998 109.824 -179.935 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 319' ' ' LYS . 33.7 ttpt 58.08 69.43 1.52 Allowed Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.207 -0.933 . . . . 6.8099999999999996 109.399 -179.869 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.71 -34.57 73.12 Favored 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.748 1.632 . . . . 5.1500000000000004 110.835 -179.311 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.36 104.54 10.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.983 -1.073 . . . . 4.7000000000000002 109.89 -179.371 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.09 105.68 14.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 2.48 109.502 179.611 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.454 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.17 153.42 51.0 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.86 -1.296 . . . . 1.0800000000000001 109.86 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.27 126.11 26.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.203 -1.175 . . . . 1.7 109.1 179.537 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 66.4 m-85 -95.44 153.33 17.75 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.197 -0.94 . . . . 1.04 110.021 -179.761 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -140.77 137.25 33.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.866 -0.79 . . . . 0.65000000000000002 108.866 179.256 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.77 163.68 13.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.348 -0.845 . . . . 1.1399999999999999 109.221 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.55 132.92 14.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.0900000000000001 109.866 -179.563 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.85 128.02 34.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.467 -0.938 . . . . 1.3700000000000001 108.467 179.038 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.43 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.625 -0.672 . . . . 1.1499999999999999 110.051 -179.377 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 333' ' ' ARG . 21.3 ttt-85 -75.68 153.31 37.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 2.79 109.69 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.13 133.8 2.15 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.202 -1.159 . . . . 0.45000000000000001 110.202 179.381 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -81.16 -50.13 9.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -1.089 . . . . 3.1600000000000001 109.455 179.633 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.09 -40.01 80.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 2.2200000000000002 108.995 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.82 -45.54 92.12 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.625 -0.88 . . . . 3.54 108.625 179.337 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -56.06 -50.11 71.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.599 -0.688 . . . . 0.5 109.355 179.457 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.76 -42.19 64.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.119 -179.668 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.57 -49.05 76.81 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 110.469 -179.141 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.48 -46.22 90.96 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.145 -0.972 . . . . 0.34000000000000002 109.37 -179.66 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.97 -45.29 64.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.198 -0.939 . . . . 2.9399999999999999 109.447 179.699 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.94 -47.62 85.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.74 109.878 -179.822 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.48 -41.81 97.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.296 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.81 -50.35 74.3 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.174 -0.954 . . . . 1.22 109.26 179.538 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.4 -33.64 75.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.385 -0.822 . . . . 1.72 109.595 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.0 71.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 1.0700000000000001 109.643 -179.732 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.12 -43.81 98.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.351 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.87 -35.32 72.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.494 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.78 -52.6 49.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.3 -0.875 . . . . 1.1499999999999999 109.209 -179.874 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.7 -35.55 76.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 109.09 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.157 179.771 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.06 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.3 109.662 179.932 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.64 3.99 20.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.379 -0.826 . . . . 1.4199999999999999 109.865 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -81.07 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.169 -0.957 . . . . 1.5800000000000001 109.644 -179.98 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.79 55.15 3.43 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.876 -1.29 . . . . 1.54 109.876 -179.728 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.44 118.8 26.1 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.124 -1.221 . . . . 4.5499999999999998 109.215 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' A' ' 360' ' ' GLY . 16.2 mp0 -50.75 152.5 3.47 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.908 . . . . 5.71 109.284 -179.552 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.29 4.62 0.23 Allowed 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 121.09 1.193 . . . . 6.0899999999999999 110.165 179.339 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.43 0 N-CA-C 109.327 -1.509 . . . . 7.2400000000000002 109.327 -179.901 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' B' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.391 -0.596 . . . . 7.6699999999999999 109.391 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 76.7 mttt 55.11 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.337 -0.852 . . . . 7.46 109.783 -179.864 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 319' ' ' LYS . 33.7 ttpt 58.11 69.5 1.49 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.227 -0.921 . . . . 6.79 109.395 -179.857 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.8 -34.62 72.08 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.765 1.643 . . . . 5.1500000000000004 110.831 -179.232 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.3 mt -80.24 104.47 10.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.992 -1.067 . . . . 4.6600000000000001 109.957 -179.408 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.02 106.25 14.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 2.4700000000000002 109.444 179.602 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.459 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.1 153.38 49.66 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.796 -1.322 . . . . 1.0600000000000001 109.796 -179.823 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.05 126.12 26.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -1.13 . . . . 1.6100000000000001 109.126 179.692 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.459 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 67.1 m-85 -95.47 153.26 17.79 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.96999999999999997 109.969 -179.731 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -140.76 137.37 33.35 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.801 -0.814 . . . . 0.59999999999999998 108.801 179.227 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.67 163.93 13.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 1.1000000000000001 109.223 -179.945 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.8 132.8 14.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 1.1000000000000001 109.929 -179.681 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -85.81 128.06 34.71 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.46 -0.941 . . . . 1.3600000000000001 108.46 179.047 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.56 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.442 -0.786 . . . . 1.1699999999999999 110.065 -179.412 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.444 ' HG2' HH11 ' B' ' 333' ' ' ARG . 21.7 ttt-85 -75.65 153.27 37.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.521 -0.737 . . . . 2.79 109.766 179.701 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.02 134.04 2.16 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.301 -1.12 . . . . 0.47999999999999998 110.301 179.453 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.34 -50.2 9.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -1.092 . . . . 3.2200000000000002 109.374 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -40.09 79.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -0.956 . . . . 2.21 108.969 179.7 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.73 -45.63 91.85 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.613 -0.884 . . . . 3.5499999999999998 108.613 179.384 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.0 -50.05 71.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.64 -0.663 . . . . 0.52000000000000002 109.431 179.463 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.77 -42.27 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.069 -179.71 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.49 -49.15 76.5 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.28 -0.887 . . . . 1.1499999999999999 110.371 -179.099 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -61.56 -46.16 91.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.048 -1.032 . . . . 0.33000000000000002 109.295 -179.54 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.04 -45.2 64.56 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.265 -0.897 . . . . 3.02 109.502 179.725 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.93 -47.76 84.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.75 109.804 -179.819 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.4 -41.74 97.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.331 -179.899 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.82 -50.4 74.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.078 -1.014 . . . . 1.21 109.236 179.507 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.33 -33.68 75.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.364 -0.835 . . . . 1.6899999999999999 109.665 -179.976 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.62 -50.98 71.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 109.705 -179.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.01 -43.83 98.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.253 -0.905 . . . . 1.0800000000000001 109.349 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.03 -35.18 72.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.458 -179.987 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.85 -52.55 49.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 1.1399999999999999 109.219 -179.914 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.8 -35.47 76.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.251 -0.906 . . . . 2.1899999999999999 109.128 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -34.42 66.94 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.193 179.639 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.1 63.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.288 -0.883 . . . . 1.3100000000000001 109.666 179.943 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.67 3.9 20.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.277 -0.889 . . . . 1.3999999999999999 109.788 -179.72 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.117 -0.99 . . . . 1.5700000000000001 109.697 -179.996 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.86 55.15 3.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.869 -1.292 . . . . 1.53 109.869 -179.717 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.44 118.81 26.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.276 -1.131 . . . . 4.5800000000000001 109.248 179.796 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 360' ' ' GLY . 16.1 mp0 -50.68 152.53 3.39 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 5.6799999999999997 109.273 -179.531 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.34 4.68 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 121.065 1.176 . . . . 6.0499999999999998 110.194 179.327 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.958 -1.468 . . . . 7.2000000000000002 109.455 -179.816 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' C' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.411 -0.589 . . . . 9.2200000000000006 109.411 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 76.8 mttt 55.05 -82.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.449 -0.782 . . . . 8.5099999999999998 109.801 -179.874 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' C' ' 319' ' ' LYS . 33.7 ttpt 58.12 69.47 1.5 Allowed Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.314 -0.866 . . . . 7.4199999999999999 109.401 -179.873 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.75 -34.59 72.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 121.783 1.655 . . . . 5.0499999999999998 110.846 -179.305 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -80.26 104.41 10.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.01 -1.056 . . . . 5.1399999999999997 109.924 -179.394 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.03 105.89 14.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.421 -0.799 . . . . 2.8500000000000001 109.45 179.609 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.46 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -71.49 153.65 50.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.822 -1.311 . . . . 1.27 109.822 -179.921 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -60.48 126.22 26.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -1.174 . . . . 2.1099999999999999 109.117 179.651 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.46 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 66.8 m-85 -95.4 153.28 17.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.197 -0.94 . . . . 1.01 109.96 -179.704 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -140.74 137.36 33.38 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.79 -0.818 . . . . 0.57999999999999996 108.79 179.216 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.74 163.92 13.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 1.1599999999999999 109.21 179.987 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.6 tp -151.73 132.85 14.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 109.887 -179.591 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.87 127.97 34.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.427 -0.953 . . . . 1.8100000000000001 108.427 179.077 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.59 115.63 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.42 -0.8 . . . . 1.1299999999999999 110.016 -179.444 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' C' ' 333' ' ' ARG . 21.6 ttt-85 -75.77 153.31 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.448 -0.783 . . . . 2.8199999999999998 109.613 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.1 134.03 2.19 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 110.24 -1.144 . . . . 0.45000000000000001 110.24 179.415 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.38 -50.18 9.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -1.135 . . . . 3.0800000000000001 109.382 179.683 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.05 -40.16 80.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.54 108.923 179.716 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.62 -45.74 91.48 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.6 -0.889 . . . . 4.1100000000000003 108.6 179.391 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -55.97 -50.1 71.73 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.631 -0.668 . . . . 0.56999999999999995 109.404 179.481 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -52.77 -42.19 64.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 110.052 -179.684 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.63 -49.07 76.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.246 -0.909 . . . . 1.29 110.411 -179.083 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.5 -46.25 90.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.025 -1.047 . . . . 0.40000000000000002 109.329 -179.638 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.98 -45.28 64.41 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.177 -0.952 . . . . 3.8500000000000001 109.444 179.733 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.93 -47.7 85.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.78 109.84 -179.796 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.38 -41.87 97.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 1.1699999999999999 109.271 -179.964 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.8 -50.36 74.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.208 -0.933 . . . . 1.2 109.259 179.629 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.37 -33.59 75.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.424 -0.797 . . . . 2.1200000000000001 109.601 -179.972 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 1.0700000000000001 109.667 -179.732 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.04 -43.79 98.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 1.1399999999999999 109.348 179.944 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.98 -35.25 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.895 . . . . 2.0899999999999999 109.433 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.79 -52.52 50.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.176 -0.952 . . . . 1.3799999999999999 109.216 -179.871 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.83 -35.49 76.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.832 . . . . 2.6800000000000002 109.147 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.52 -34.28 66.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.533 -0.73 . . . . 1.3400000000000001 109.228 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -49.06 62.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 1.3 109.608 179.981 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.68 3.92 20.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.331 -0.856 . . . . 1.8 109.813 -179.722 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.09 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 1.47 109.69 179.99 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.87 55.18 3.46 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.858 -1.297 . . . . 1.6599999999999999 109.858 -179.707 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.4 118.81 26.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.213 -1.169 . . . . 4.7800000000000002 109.2 179.772 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' C' ' 360' ' ' GLY . 16.2 mp0 -50.73 152.5 3.46 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 6.1900000000000004 109.317 -179.593 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.29 4.69 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 121.048 1.166 . . . . 6.1799999999999997 110.162 179.343 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.967 -1.463 . . . . 6.9000000000000004 109.445 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' D' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.479 -0.563 . . . . 7.6900000000000004 109.479 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 76.8 mttt 55.04 -82.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.467 -0.771 . . . . 7.4500000000000002 109.872 -179.913 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' D' ' 319' ' ' LYS . 33.7 ttpt 58.16 69.32 1.53 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.218 -0.926 . . . . 6.8399999999999999 109.493 -179.895 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.65 -34.58 73.72 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.791 1.66 . . . . 5.1200000000000001 110.864 -179.224 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.6 mt -80.31 104.49 10.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 4.6600000000000001 109.924 -179.378 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.08 105.86 14.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.382 -0.824 . . . . 2.46 109.472 179.623 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -71.49 153.56 50.67 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.909 -1.276 . . . . 1.0800000000000001 109.909 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -60.25 126.07 26.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -1.128 . . . . 1.6699999999999999 109.15 179.625 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 66.3 m-85 -95.32 153.21 17.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.148 -0.97 . . . . 1.01 110.033 -179.746 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -140.7 137.2 33.31 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.943 -0.762 . . . . 0.63 108.943 179.232 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.68 164.0 13.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 1.1299999999999999 109.205 -179.912 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.75 132.82 14.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.251 -0.905 . . . . 1.1000000000000001 109.889 -179.609 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -85.8 127.99 34.7 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.455 -0.943 . . . . 1.3700000000000001 108.455 179.019 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.61 115.6 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 110.033 -179.481 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.446 ' HG2' HH11 ' D' ' 333' ' ' ARG . 21.4 ttt-85 -75.8 153.37 36.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 2.77 109.648 179.747 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.16 133.98 2.2 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.263 -1.135 . . . . 0.42999999999999999 110.263 179.472 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.44 -50.12 9.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -1.147 . . . . 3.1200000000000001 109.392 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.13 -40.02 80.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.935 179.663 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.76 -45.59 91.99 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.589 -0.893 . . . . 3.5 108.589 179.35 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.15 -50.03 72.28 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.69 -0.631 . . . . 0.5 109.33 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.82 -42.25 64.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 110.031 -179.625 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.49 -49.12 76.63 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.226 -0.922 . . . . 1.1399999999999999 110.392 -179.128 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.51 -46.19 91.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 109.337 -179.581 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.05 -45.26 64.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.197 -0.94 . . . . 2.96 109.424 179.726 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.85 -47.75 84.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 1.75 109.857 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.44 -41.69 97.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.953 . . . . 1.0800000000000001 109.367 -179.924 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.83 -50.47 73.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.218 -0.926 . . . . 1.22 109.199 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.27 -33.81 75.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 1.73 109.592 -179.963 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.57 -50.93 71.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 1.0700000000000001 109.748 -179.733 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.08 -43.87 97.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 1.1100000000000001 109.356 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.96 -35.18 72.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 1.9099999999999999 109.499 179.971 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.84 -52.51 49.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 1.1699999999999999 109.289 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.74 -35.53 76.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 2.1499999999999999 109.111 179.916 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.48 -34.42 66.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.458 -0.776 . . . . 1.4399999999999999 109.206 179.655 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.29 -48.97 63.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.946 . . . . 1.3 109.712 179.985 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.75 4.04 20.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 1.3999999999999999 109.829 -179.801 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.21 -80.96 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.111 -0.993 . . . . 1.6000000000000001 109.64 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.86 55.13 3.45 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.841 -1.304 . . . . 1.5 109.841 -179.68 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.42 118.85 26.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.151 -1.205 . . . . 4.5499999999999998 109.239 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' D' ' 360' ' ' GLY . 16.1 mp0 -50.71 152.55 3.4 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.857 . . . . 5.6699999999999999 109.261 -179.534 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.37 4.67 0.23 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.123 1.215 . . . . 6.1200000000000001 110.127 179.329 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.413 0 CA-C-O 117.931 -1.483 . . . . 7.2699999999999996 109.417 -179.835 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.507 -0.553 . . . . 7.6600000000000001 109.507 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 41.1 tttp 60.74 -75.86 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.57 -0.706 . . . . 7.5099999999999998 109.835 179.944 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 319' ' ' LYS . 51.6 tttp 60.92 65.72 1.92 Allowed Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.468 -0.77 . . . . 6.8099999999999996 109.904 -179.829 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.33 168.05 13.51 Favored 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.357 1.371 . . . . 5.1500000000000004 109.365 179.672 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.3 94.75 6.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.062 -1.024 . . . . 4.7000000000000002 109.362 179.876 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -84.7 -158.07 0.33 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.524 -0.735 . . . . 2.48 109.46 179.854 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.34 159.45 53.03 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.396 -1.482 . . . . 1.0800000000000001 109.396 179.739 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -58.63 137.08 57.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -1.154 . . . . 1.7 109.573 -179.984 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -92.84 156.01 17.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.232 -0.917 . . . . 1.04 109.471 179.826 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.74 -173.57 3.6 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.362 -0.836 . . . . 0.65000000000000002 109.601 -179.697 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.01 148.33 29.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.409 -0.96 . . . . 1.1399999999999999 108.409 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -141.11 133.43 28.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.32 -0.862 . . . . 1.0900000000000001 109.704 -178.572 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -85.06 132.02 34.38 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.411 -0.959 . . . . 1.3700000000000001 108.411 179.043 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 77.9 mt -123.27 109.19 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.457 -0.777 . . . . 1.1499999999999999 109.41 -179.468 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.27 22.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.428 -0.795 . . . . 2.79 109.372 179.635 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.62 132.49 4.93 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.691 -1.364 . . . . 0.45000000000000001 109.691 179.843 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.563 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.18 -44.3 15.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -1.057 . . . . 3.1600000000000001 109.335 179.728 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.08 -46.24 88.77 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.511 -179.94 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 17.7 ttm-85 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.1 -1.0 . . . . 3.54 109.7 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.15 -54.14 40.15 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.39 -0.818 . . . . 0.5 109.359 -179.841 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.63 -38.04 63.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.323 -0.861 . . . . 1.6599999999999999 109.856 -179.932 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.28 -49.71 72.97 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.267 -0.895 . . . . 1.1499999999999999 110.282 -179.112 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.29 -43.74 95.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.084 -1.01 . . . . 0.34000000000000002 109.133 -179.81 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.1 -43.6 61.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.209 -0.932 . . . . 2.9399999999999999 109.579 179.873 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.77 -45.45 94.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 1.74 109.767 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.3 -45.73 93.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.328 -0.857 . . . . 1.0700000000000001 109.471 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.43 -48.33 82.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.187 -0.946 . . . . 1.22 109.587 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.13 -38.65 92.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.924 . . . . 1.72 109.873 -179.686 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.61 -56.1 26.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.271 -0.893 . . . . 1.0700000000000001 109.994 -179.569 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.28 -40.68 95.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.457 -179.732 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.7 -36.32 80.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 1.9099999999999999 109.346 179.445 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 63.7 tp -62.99 -50.28 71.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.344 -0.848 . . . . 1.1499999999999999 109.132 179.967 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.63 -49.53 72.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.372 -0.83 . . . . 2.1400000000000001 108.909 179.677 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.81 -32.47 70.67 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 1.4299999999999999 109.727 179.76 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.61 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 1.3 110.122 -179.452 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.63 -9.17 59.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 1.4199999999999999 109.815 -179.648 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -7.4 50.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 1.5800000000000001 109.52 179.86 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -5.93 83.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.882 -1.287 . . . . 1.54 109.882 -179.834 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 357' ' ' LYS . 3.8 mptp? -86.19 102.18 13.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.048 -1.266 . . . . 4.5499999999999998 109.355 -179.688 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -51.73 154.14 3.71 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 5.71 108.644 179.72 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.07 101.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.06 1.173 . . . . 6.0899999999999999 109.764 179.512 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 117.997 -1.446 . . . . 7.2400000000000002 109.541 -179.998 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' B' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.464 -0.569 . . . . 7.6699999999999999 109.464 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.8 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.492 -0.755 . . . . 7.46 109.81 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' B' ' 319' ' ' LYS . 51.5 tttp 60.88 65.69 1.95 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.47 -0.769 . . . . 6.79 109.951 -179.806 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.31 168.07 13.44 Favored 'Trans proline' 0 C--N 1.318 -1.044 0 C-N-CA 121.322 1.348 . . . . 5.1500000000000004 109.345 179.754 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.39 94.83 6.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 4.6600000000000001 109.386 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -84.72 -157.99 0.32 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.468 -0.77 . . . . 2.4700000000000002 109.443 179.875 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.44 159.44 53.08 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.386 -1.486 . . . . 1.0600000000000001 109.386 179.741 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.59 137.12 57.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -1.121 . . . . 1.6100000000000001 109.563 -179.967 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.9 155.99 17.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.305 -0.872 . . . . 0.96999999999999997 109.375 179.865 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.66 -173.56 3.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.321 -0.862 . . . . 0.59999999999999998 109.63 -179.738 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.01 148.38 29.67 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.373 -0.973 . . . . 1.1000000000000001 108.373 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.1 133.39 28.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.291 -0.881 . . . . 1.1000000000000001 109.76 -178.628 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.02 132.02 34.39 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.443 -0.947 . . . . 1.3600000000000001 108.443 179.012 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 78.5 mt -123.23 109.19 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.493 -0.754 . . . . 1.1699999999999999 109.407 -179.482 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.45 122.35 22.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.497 -0.752 . . . . 2.79 109.304 179.642 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.6 132.5 4.94 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.752 -1.339 . . . . 0.47999999999999998 109.752 179.795 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.568 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -44.29 15.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.396 -1.061 . . . . 3.2200000000000002 109.369 179.769 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.14 -46.15 89.11 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.354 -0.841 . . . . 2.21 109.499 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.448 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 17.8 ttm-85 -66.13 -38.06 87.24 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.115 -0.991 . . . . 3.5499999999999998 109.632 -179.764 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -53.18 -54.09 40.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.391 -0.818 . . . . 0.52000000000000002 109.365 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.73 -38.05 63.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.6799999999999999 109.814 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.15 -49.82 72.84 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.261 -0.9 . . . . 1.1499999999999999 110.332 -179.207 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.22 -43.73 95.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.063 -1.023 . . . . 0.33000000000000002 109.136 -179.798 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.15 -43.54 61.25 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.312 -0.868 . . . . 3.02 109.6 179.89 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.77 -45.45 94.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 1.75 109.746 -179.809 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.25 -45.83 92.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 1.0700000000000001 109.395 -179.925 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.38 -48.3 82.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.218 -0.926 . . . . 1.21 109.61 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.19 -38.7 92.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 1.6899999999999999 109.827 -179.677 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -56.12 26.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.0600000000000001 109.97 -179.543 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.19 -40.73 95.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.502 -179.755 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.73 -36.3 80.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.316 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.99 -50.39 70.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 109.027 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.57 -49.55 72.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.422 -0.798 . . . . 2.1899999999999999 108.939 179.701 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.86 -32.45 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.691 179.816 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.59 82.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 1.3100000000000001 110.094 -179.443 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.58 -9.32 59.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.198 -0.938 . . . . 1.3999999999999999 109.815 -179.666 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.84 -7.36 50.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 1.5700000000000001 109.474 179.885 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -5.94 83.93 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.87 -1.292 . . . . 1.53 109.87 -179.871 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' B' ' 357' ' ' LYS . 3.8 mptp? -86.15 102.17 13.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.116 -1.226 . . . . 4.5800000000000001 109.473 -179.806 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -51.69 154.17 3.63 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 5.6799999999999997 108.63 179.757 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.13 101.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 121.021 1.147 . . . . 6.0499999999999998 109.75 179.544 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.529 -1.428 . . . . 7.2000000000000002 109.529 -179.994 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' C' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.443 -0.577 . . . . 9.2200000000000006 109.443 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.8 -75.82 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.424 -0.797 . . . . 8.5099999999999998 109.823 179.887 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' C' ' 319' ' ' LYS . 51.7 tttp 60.85 65.74 1.94 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.811 . . . . 7.4199999999999999 109.913 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.33 168.09 13.44 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 C-N-CA 121.421 1.414 . . . . 5.0499999999999998 109.301 179.74 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 22.5 mt -80.45 94.85 6.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.014 -1.054 . . . . 5.1399999999999997 109.323 179.855 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.403 ' OD2' ' OH ' ' C' ' 327' ' ' TYR . 11.7 m-20 -84.71 -158.08 0.33 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.548 -0.72 . . . . 2.8500000000000001 109.447 179.856 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.41 159.38 53.08 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.405 -1.478 . . . . 1.27 109.405 179.709 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.6 137.23 57.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -1.131 . . . . 2.1099999999999999 109.531 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.403 ' OH ' ' OD2' ' C' ' 324' ' ' ASP . 77.2 m-85 -92.95 155.97 17.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -0.927 . . . . 1.01 109.423 179.82 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.76 -173.67 3.62 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.387 -0.821 . . . . 0.57999999999999996 109.542 -179.696 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -148.94 148.39 29.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.39 -0.967 . . . . 1.1599999999999999 108.39 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.11 133.3 27.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.79 -178.55 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -84.96 131.97 34.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.438 -0.949 . . . . 1.8100000000000001 108.438 179.074 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 78.6 mt -123.25 109.29 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.53 -0.731 . . . . 1.1299999999999999 109.379 -179.499 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.26 22.77 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.514 -0.741 . . . . 2.8199999999999998 109.32 179.67 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.57 132.57 4.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.719 -1.352 . . . . 0.45000000000000001 109.719 179.81 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -44.35 15.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -1.084 . . . . 3.0800000000000001 109.31 179.772 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.01 -46.19 88.82 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.361 -0.837 . . . . 2.54 109.583 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.449 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 17.9 ttm-85 -66.07 -38.12 87.51 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.127 -0.983 . . . . 4.1100000000000003 109.692 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.14 -54.09 40.89 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.385 -0.822 . . . . 0.56999999999999995 109.408 -179.873 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -53.76 -37.97 63.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 1.6599999999999999 109.834 -179.928 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.18 -49.87 72.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.269 -0.894 . . . . 1.29 110.333 -179.273 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.2 -43.75 95.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.40000000000000002 109.177 -179.82 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.14 -43.51 61.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.205 -0.934 . . . . 3.8500000000000001 109.574 179.884 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.8 -45.44 94.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 1.78 109.732 -179.785 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.4 -45.71 93.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.365 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -59.49 -48.22 82.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.2 109.582 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.17 -38.83 92.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 2.1200000000000001 109.87 -179.751 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.14 26.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.992 -179.603 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.24 -40.72 95.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.262 -0.899 . . . . 1.1399999999999999 109.444 -179.724 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.74 -36.27 80.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.34 179.518 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.91 -50.35 71.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.181 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.6 -49.52 73.01 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.437 -0.789 . . . . 2.6800000000000002 108.951 179.726 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.79 -32.52 70.7 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.584 -0.698 . . . . 1.3400000000000001 109.686 179.808 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.63 82.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.3 110.082 -179.432 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.62 -9.26 59.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.173 -0.955 . . . . 1.8 109.755 -179.571 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.85 -7.36 50.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 1.47 109.516 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 -5.97 84.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.824 -1.31 . . . . 1.6599999999999999 109.824 -179.877 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' C' ' 357' ' ' LYS . 3.8 mptp? -86.16 102.14 13.63 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.098 -1.236 . . . . 4.7800000000000002 109.422 -179.735 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -51.62 154.07 3.6 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.894 . . . . 6.1900000000000004 108.654 179.649 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -54.99 101.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.823 0 C-N-CA 121.048 1.165 . . . . 6.1799999999999997 109.778 179.451 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.967 -1.463 . . . . 6.9000000000000004 109.551 -179.979 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' D' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.465 -0.568 . . . . 7.6900000000000004 109.465 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.82 -75.86 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.48 -0.763 . . . . 7.4500000000000002 109.777 179.882 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' D' ' 319' ' ' LYS . 51.5 tttp 60.82 65.67 1.97 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.417 -0.802 . . . . 6.8399999999999999 109.99 -179.777 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.28 168.05 13.42 Favored 'Trans proline' 0 C--N 1.32 -0.956 0 C-N-CA 121.369 1.379 . . . . 5.1200000000000001 109.321 179.728 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.34 94.73 6.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.988 -1.07 . . . . 4.6600000000000001 109.405 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -84.6 -158.07 0.32 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.457 -0.777 . . . . 2.46 109.497 179.831 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.41 159.49 53.05 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.324 -1.51 . . . . 1.0800000000000001 109.324 179.748 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.63 137.12 57.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -1.155 . . . . 1.6699999999999999 109.536 -179.982 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.9 156.11 17.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.297 -0.877 . . . . 1.01 109.418 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.81 -173.58 3.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.63 109.64 -179.711 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.03 148.32 29.58 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.391 -0.966 . . . . 1.1299999999999999 108.391 179.947 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.0 tp -141.07 133.4 28.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 1.1000000000000001 109.749 -178.549 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.04 131.96 34.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.417 -0.957 . . . . 1.3700000000000001 108.417 179.081 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 78.3 mt -123.23 109.2 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.424 -0.798 . . . . 1.1499999999999999 109.362 -179.431 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.53 122.28 22.85 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.475 -0.766 . . . . 2.77 109.355 179.611 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.64 132.56 4.94 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 109.716 -1.353 . . . . 0.42999999999999999 109.716 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.559 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.28 -44.32 15.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -1.08 . . . . 3.1200000000000001 109.296 179.829 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.03 -46.14 88.97 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.602 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.443 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 17.8 ttm-85 -66.12 -38.12 87.38 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.095 -1.003 . . . . 3.5 109.638 -179.804 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.18 -54.08 41.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.346 -0.846 . . . . 0.5 109.443 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.68 -37.98 63.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.852 -179.991 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.27 -49.77 72.75 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.308 -0.87 . . . . 1.1399999999999999 110.305 -179.158 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.23 -43.72 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.11 -0.994 . . . . 0.32000000000000001 109.119 -179.819 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.24 -43.39 61.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.212 -0.93 . . . . 2.96 109.565 179.94 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.82 -45.5 94.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.75 109.698 -179.833 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.26 -45.87 92.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.35 -179.896 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.38 -48.37 81.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.858 . . . . 1.22 109.584 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.13 -38.67 92.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.73 109.877 -179.716 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.08 26.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.987 -179.589 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.3 -40.67 95.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.1100000000000001 109.461 -179.709 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.74 -36.28 80.55 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.264 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.96 -50.39 70.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 1.1699999999999999 109.12 179.908 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.55 -49.54 73.03 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.428 -0.795 . . . . 2.1499999999999999 108.974 179.653 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.82 -32.51 70.72 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.621 -0.674 . . . . 1.4399999999999999 109.671 179.799 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.66 82.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.325 -0.859 . . . . 1.3 110.086 -179.436 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.59 -9.2 59.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.128 -0.982 . . . . 1.3999999999999999 109.808 -179.634 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -7.4 50.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.128 -0.982 . . . . 1.6000000000000001 109.497 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -5.86 84.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.857 -1.297 . . . . 1.5 109.857 -179.848 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' D' ' 357' ' ' LYS . 3.8 mptp? -86.23 102.24 13.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.126 -1.22 . . . . 4.5499999999999998 109.382 -179.719 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.74 154.08 3.77 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.594 -0.891 . . . . 5.6699999999999999 108.594 179.72 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.02 101.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.039 1.16 . . . . 6.1200000000000001 109.752 179.482 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.512 -1.435 . . . . 7.2699999999999996 109.512 -179.98 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.479 -0.563 . . . . 7.6600000000000001 109.479 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 319' ' ' LYS . 95.7 mttt 57.99 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.545 0.688 . . . . 7.5099999999999998 110.051 -179.893 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.88 73.13 1.01 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.132 -0.98 . . . . 6.8099999999999996 109.529 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -60.96 -72.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.415 1.41 . . . . 5.1500000000000004 109.737 -179.911 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.3 mt -77.27 107.6 9.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 4.7000000000000002 108.888 179.819 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.666 ' H ' ' HH ' ' A' ' 327' ' ' TYR . 23.9 m-20 -80.36 -130.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.485 -0.759 . . . . 2.48 109.795 -179.525 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.91 170.82 36.12 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.692 -1.363 . . . . 1.0800000000000001 109.692 -179.667 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.13 132.5 54.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -1.123 . . . . 1.7 109.593 -179.859 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.666 ' HH ' ' H ' ' A' ' 324' ' ' ASP . 89.1 m-85 -94.27 157.52 16.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.271 -0.893 . . . . 1.04 109.65 179.872 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.5 -168.67 2.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.477 -0.765 . . . . 0.65000000000000002 109.289 -179.813 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.61 148.94 28.57 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.638 -0.875 . . . . 1.1399999999999999 108.638 179.928 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -142.8 135.06 27.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.254 -0.904 . . . . 1.0900000000000001 109.739 -178.722 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.94 130.1 34.69 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.433 -0.951 . . . . 1.3700000000000001 108.433 179.157 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.35 110.73 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.48 -0.763 . . . . 1.1499999999999999 109.246 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.66 145.65 43.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.596 -0.69 . . . . 2.79 110.06 -179.662 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.09 127.0 2.92 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.135 -1.186 . . . . 0.45000000000000001 110.135 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.69 -40.96 69.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.322 -1.105 . . . . 3.1600000000000001 109.211 179.468 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -58.35 -47.44 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.473 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.55 -40.56 97.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.245 -0.909 . . . . 3.54 109.499 179.931 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.32 -54.57 41.9 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.516 -0.74 . . . . 0.5 109.911 -179.765 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.61 -42.15 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 1.6599999999999999 109.921 -179.623 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.35 -50.09 71.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 110.419 -179.305 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.1 -45.01 96.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.34000000000000002 109.084 -179.73 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 346' ' ' GLU . 13.5 ttm180 -51.95 -43.23 63.4 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.333 -0.854 . . . . 2.9399999999999999 109.743 179.835 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -61.31 -44.32 97.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.28 -0.888 . . . . 1.74 110.135 -179.395 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.75 -40.81 93.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.396 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.97 -53.98 52.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.22 109.661 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 2.0 mp0 -62.77 -38.1 89.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.912 . . . . 1.72 109.612 -179.725 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.88 53.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 109.831 -179.672 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.08 -45.4 93.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.406 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.402 ' CD ' ' H1 ' ' A' ' 3' ' ' HOH . 45.4 mt-10 -59.35 -34.27 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 1.9099999999999999 109.303 179.789 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.86 -45.04 91.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.309 -0.87 . . . . 1.1499999999999999 109.273 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -63.76 -48.38 77.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 2.1400000000000001 108.832 179.306 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.8 -31.68 64.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.694 -0.628 . . . . 1.4299999999999999 109.488 179.762 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.41 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 1.3 109.662 -179.837 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 52.0 mt-30 -81.0 -2.89 49.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 1.4199999999999999 109.571 -179.885 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -7.83 46.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 1.5800000000000001 109.268 -179.985 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -6.98 82.67 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.287 -1.525 . . . . 1.54 109.287 179.668 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.23 156.34 21.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -1.114 . . . . 4.5499999999999998 109.563 -179.906 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -51.14 153.84 3.07 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 5.71 109.036 -179.802 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.05 141.28 87.04 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.145 1.23 . . . . 6.0899999999999999 109.908 179.356 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.457 -1.457 . . . . 7.2400000000000002 109.457 179.887 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.488 -0.56 . . . . 7.6699999999999999 109.488 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 319' ' ' LYS . 95.7 mttt 58.09 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.491 0.662 . . . . 7.46 110.06 -179.921 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.8 73.19 1.0 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 6.79 109.583 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -61.07 -72.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.32 -0.973 0 C-N-CA 121.394 1.396 . . . . 5.1500000000000004 109.691 -179.84 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.3 mt -77.25 107.66 9.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.248 -0.908 . . . . 4.6600000000000001 108.889 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.674 ' H ' ' HH ' ' B' ' 327' ' ' TYR . 23.9 m-20 -80.41 -130.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 2.4700000000000002 109.759 -179.534 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.56 170.86 34.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.752 -1.339 . . . . 1.0600000000000001 109.752 -179.753 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.23 132.56 54.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -1.115 . . . . 1.6100000000000001 109.619 -179.977 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.674 ' HH ' ' H ' ' B' ' 324' ' ' ASP . 89.5 m-85 -94.29 157.59 15.97 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.255 -0.903 . . . . 0.96999999999999997 109.595 179.909 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.58 -168.73 2.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.46 -0.775 . . . . 0.59999999999999998 109.246 -179.809 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.59 149.1 28.78 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.542 -0.91 . . . . 1.1000000000000001 108.542 179.932 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.91 134.98 27.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.295 -0.878 . . . . 1.1000000000000001 109.703 -178.646 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.89 130.06 34.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.493 -0.929 . . . . 1.3600000000000001 108.493 179.123 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.32 110.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.403 -0.811 . . . . 1.1699999999999999 109.325 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.52 145.61 43.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 2.79 110.086 -179.656 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 127.0 2.9 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.21 -1.156 . . . . 0.47999999999999998 110.21 179.597 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.78 -40.93 68.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -1.087 . . . . 3.2200000000000002 109.187 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.28 -47.4 83.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.278 -0.889 . . . . 2.21 109.537 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.58 -40.61 97.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.272 -0.892 . . . . 3.5499999999999998 109.492 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.27 -54.68 40.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 0.52000000000000002 109.86 -179.705 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.49 -42.11 63.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.917 -179.57 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.46 -50.17 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.334 -0.854 . . . . 1.1499999999999999 110.314 -179.237 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.02 -44.97 96.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.01 -1.056 . . . . 0.33000000000000002 109.139 -179.727 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' B' ' 346' ' ' GLU . 13.5 ttm180 -51.99 -43.2 63.49 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.31 -0.869 . . . . 3.02 109.756 179.88 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.26 -44.37 97.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.208 -0.933 . . . . 1.75 110.204 -179.497 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.66 -40.85 93.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.0700000000000001 109.344 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.98 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 1.21 109.629 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.17 89.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.6899999999999999 109.639 -179.703 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.92 52.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 1.0600000000000001 109.834 -179.693 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.96 -45.61 92.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 1.0800000000000001 109.353 -179.861 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.28 -34.29 72.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.9299999999999999 109.263 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.88 -45.18 90.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 1.1399999999999999 109.24 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.6 -48.38 77.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 2.1899999999999999 108.814 179.357 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.75 -31.74 64.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.653 -0.655 . . . . 1.4299999999999999 109.521 179.788 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.38 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.892 . . . . 1.3100000000000001 109.613 -179.845 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 51.9 mt-30 -81.0 -2.92 49.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.357 -0.839 . . . . 1.3999999999999999 109.567 -179.862 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -7.88 47.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 1.5700000000000001 109.366 179.955 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -7.05 82.86 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.289 -1.525 . . . . 1.53 109.289 179.649 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.23 156.34 21.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -1.133 . . . . 4.5800000000000001 109.579 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.11 153.74 3.08 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 5.6799999999999997 109.088 -179.817 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.02 141.29 86.78 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.096 1.197 . . . . 6.0499999999999998 109.961 179.365 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.992 -1.449 . . . . 7.2000000000000002 109.491 179.918 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.539 -0.541 . . . . 9.2200000000000006 109.539 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 319' ' ' LYS . 95.7 mttt 58.04 133.02 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.524 0.678 . . . . 8.5099999999999998 110.061 -179.947 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.88 73.11 1.02 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.975 . . . . 7.4199999999999999 109.584 179.897 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -60.89 -72.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.547 1.498 . . . . 5.0499999999999998 109.716 -179.907 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -77.33 107.55 9.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 5.1399999999999997 108.915 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.68 ' H ' ' HH ' ' C' ' 327' ' ' TYR . 23.4 m-20 -80.2 -130.43 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.447 -0.783 . . . . 2.8500000000000001 109.85 -179.572 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.72 170.92 35.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.683 -1.367 . . . . 1.27 109.683 -179.734 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.26 132.57 54.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 2.1099999999999999 109.575 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.68 ' HH ' ' H ' ' C' ' 324' ' ' ASP . 89.3 m-85 -94.26 157.48 16.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.225 -0.922 . . . . 1.01 109.628 179.884 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.52 -168.69 2.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.397 -0.815 . . . . 0.57999999999999996 109.325 -179.89 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.63 148.9 28.51 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.595 -0.891 . . . . 1.1599999999999999 108.595 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.77 134.98 27.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 1.1699999999999999 109.737 -178.648 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -84.86 130.01 34.72 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.509 -0.922 . . . . 1.8100000000000001 108.509 179.112 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.39 110.83 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.459 -0.775 . . . . 1.1299999999999999 109.213 -179.668 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.73 145.67 42.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.68 -0.638 . . . . 2.8199999999999998 109.99 -179.633 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.06 127.11 2.94 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.106 -1.198 . . . . 0.45000000000000001 110.106 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -71.86 -40.92 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.43 -1.041 . . . . 3.0800000000000001 109.158 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.31 -47.45 83.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.85 . . . . 2.54 109.439 -179.987 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.57 -40.64 97.52 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.27 -0.894 . . . . 4.1100000000000003 109.415 -179.978 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.29 -54.57 41.82 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.483 -0.761 . . . . 0.56999999999999995 109.916 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.57 -42.15 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.922 -179.634 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -50.11 71.21 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.286 -0.884 . . . . 1.29 110.385 -179.295 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.1 -45.04 96.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.138 -0.976 . . . . 0.40000000000000002 109.037 -179.703 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.412 ' O ' ' OE1' ' C' ' 346' ' ' GLU . 13.5 ttm180 -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.313 -0.867 . . . . 3.8500000000000001 109.755 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.2 -44.34 97.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.136 -0.977 . . . . 1.78 110.185 -179.505 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 1.1699999999999999 109.36 -179.769 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -59.17 -53.89 53.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 1.2 109.597 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.14 89.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.661 -179.784 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.79 54.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 109.801 -179.616 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.04 -45.65 92.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 1.1399999999999999 109.335 -179.881 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -34.34 72.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.306 179.849 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.78 -45.18 90.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.3799999999999999 109.303 179.946 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.64 -48.37 77.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.259 -0.901 . . . . 2.6800000000000002 108.856 179.339 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.73 -31.82 64.91 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.671 -0.643 . . . . 1.3400000000000001 109.516 179.754 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.5 79.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 1.3 109.666 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 52.1 mt-30 -80.94 -2.88 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 1.8 109.642 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.81 46.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.199 -0.938 . . . . 1.47 109.245 -179.979 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -6.87 82.58 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.266 -1.534 . . . . 1.6599999999999999 109.266 179.723 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.35 156.34 20.93 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.337 -1.096 . . . . 4.7800000000000002 109.524 -179.829 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.13 153.74 3.1 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.257 -0.902 . . . . 6.1900000000000004 109.074 -179.83 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.01 141.26 86.77 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 121.088 1.192 . . . . 6.1799999999999997 109.934 179.346 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.518 179.913 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.574 -0.528 . . . . 7.6900000000000004 109.574 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 319' ' ' LYS . 95.8 mttt 58.02 133.06 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.508 0.67 . . . . 7.4500000000000002 110.07 -179.938 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 51.86 73.01 1.03 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 6.8399999999999999 109.651 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -60.92 -72.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 121.482 1.455 . . . . 5.1200000000000001 109.648 -179.782 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.29 107.69 9.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.259 -0.901 . . . . 4.6600000000000001 108.935 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.686 ' H ' ' HH ' ' D' ' 327' ' ' TYR . 23.6 m-20 -80.37 -130.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.488 -0.758 . . . . 2.46 109.816 -179.498 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 170.88 35.93 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 1.0800000000000001 109.667 -179.722 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.13 132.54 54.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -1.153 . . . . 1.6699999999999999 109.631 -179.896 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.686 ' HH ' ' H ' ' D' ' 324' ' ' ASP . 88.9 m-85 -94.27 157.43 16.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.259 -0.9 . . . . 1.01 109.61 179.878 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.48 -168.72 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.456 -0.777 . . . . 0.63 109.318 -179.867 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.62 149.0 28.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.283 -0.885 . . . . 1.1299999999999999 108.62 179.93 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -142.81 134.94 27.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.735 -178.62 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.85 130.03 34.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.596 -0.89 . . . . 1.3700000000000001 108.596 179.084 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.37 110.69 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.5 -0.75 . . . . 1.1499999999999999 109.25 -179.555 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.62 145.6 43.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.649 -0.657 . . . . 2.77 109.99 -179.607 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.15 127.08 2.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.083 -1.207 . . . . 0.42999999999999999 110.083 179.519 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.83 -40.95 68.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.369 -1.077 . . . . 3.1200000000000001 109.162 179.477 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.34 -47.41 83.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 2.2200000000000002 109.492 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -62.61 -40.59 97.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.24 -0.913 . . . . 3.5 109.41 -179.996 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.31 -54.54 42.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.53 -0.731 . . . . 0.5 109.94 -179.711 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.53 -42.1 64.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.944 -179.702 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.5 -50.07 71.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.214 -0.929 . . . . 1.1399999999999999 110.342 -179.218 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.08 -45.02 96.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.006 . . . . 0.32000000000000001 109.048 -179.687 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' D' ' 346' ' ' GLU . 13.5 ttm180 -52.0 -43.29 63.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.196 -0.94 . . . . 2.96 109.714 179.931 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.06 -44.42 97.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.18 -0.95 . . . . 1.75 110.259 -179.515 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.8 -40.71 93.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.065 -1.022 . . . . 1.0800000000000001 109.374 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -59.05 -53.93 52.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.22 109.661 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 2.0 mp0 -62.75 -38.12 89.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.73 109.614 -179.726 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.7 55.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.855 -179.628 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.06 -45.44 93.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.239 -0.913 . . . . 1.1100000000000001 109.392 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.4 -34.25 72.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.286 179.855 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.91 -45.08 90.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 1.1699999999999999 109.243 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.74 -48.37 77.28 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.318 -0.864 . . . . 2.1499999999999999 108.758 179.401 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.72 -31.8 64.87 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.727 -0.608 . . . . 1.4399999999999999 109.463 179.757 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -44.43 79.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 1.3 109.653 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 52.1 mt-30 -80.98 -2.87 49.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 1.3999999999999999 109.632 -179.927 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -7.87 47.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.161 -0.962 . . . . 1.6000000000000001 109.261 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.54 -6.96 82.8 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.232 -1.547 . . . . 1.5 109.232 179.701 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.27 156.38 20.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 4.5499999999999998 109.544 -179.842 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -51.09 153.81 3.01 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.89 . . . . 5.6699999999999999 109.042 -179.838 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -56.21 141.25 88.22 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 121.145 1.23 . . . . 6.1200000000000001 109.912 179.397 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.5 -1.44 . . . . 7.2699999999999996 109.5 179.972 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . 0.402 ' H1 ' ' CD ' ' A' ' 349' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.331 -0.618 . . . . 7.6600000000000001 109.331 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 56.56 17.34 2.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 7.5099999999999998 109.748 179.939 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 323' ' ' LEU . 72.7 mttt 53.81 80.25 0.3 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.127 -0.983 . . . . 6.8099999999999996 109.391 179.813 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.36 28.49 0.11 Allowed 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 121.595 1.53 . . . . 5.1500000000000004 110.787 -179.397 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.3 mt -79.02 127.85 32.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.134 . . . . 4.7000000000000002 108.865 179.531 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.2 98.59 7.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.101 -0.999 . . . . 2.48 110.36 -179.269 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -73.71 163.13 54.67 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.042 -1.623 . . . . 1.0800000000000001 109.042 179.022 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.93 122.76 16.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.958 -1.319 . . . . 1.7 109.521 179.632 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 79.2 m-85 -98.9 152.5 19.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 1.04 110.153 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -141.49 137.3 31.99 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.722 -0.844 . . . . 0.65000000000000002 108.722 178.92 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -93.72 163.76 13.41 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 1.1399999999999999 109.119 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.24 130.78 14.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 1.0900000000000001 110.038 -179.209 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.51 34.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.651 -0.87 . . . . 1.3700000000000001 108.651 179.377 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.28 115.63 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.538 -0.726 . . . . 1.1499999999999999 109.706 -179.377 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.26 156.95 33.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.447 -0.783 . . . . 2.79 109.777 179.675 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.8 138.9 2.29 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.348 -1.101 . . . . 0.45000000000000001 110.348 179.331 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.42 -48.93 9.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -1.065 . . . . 3.1600000000000001 109.395 179.69 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.08 -39.88 79.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -0.92 . . . . 2.2200000000000002 109.101 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.94 -43.05 99.21 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.416 -0.802 . . . . 3.54 109.386 179.829 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.52 -56.0 25.31 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.544 -0.723 . . . . 0.5 109.863 -179.808 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.25 -38.61 41.63 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.224 -0.923 . . . . 1.6599999999999999 109.917 -179.565 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.3 -53.98 40.41 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.126 -0.984 . . . . 1.1499999999999999 110.476 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.56 -43.26 99.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.017 -1.052 . . . . 0.34000000000000002 109.187 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.67 -44.5 63.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.196 -0.94 . . . . 2.9399999999999999 109.208 179.454 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.9 -43.95 97.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.74 109.865 -179.874 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.78 -40.84 94.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 1.0700000000000001 109.242 -179.96 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.41 -54.77 43.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.925 . . . . 1.22 109.443 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.64 -33.72 75.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.892 . . . . 1.72 109.509 -179.8 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.33 23.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.847 -179.613 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.5 -45.21 95.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.485 -179.865 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.82 -34.19 72.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 1.9099999999999999 109.462 179.965 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.31 -50.08 69.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 1.1499999999999999 109.336 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.37 -47.17 83.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 2.1400000000000001 109.051 179.867 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.8 -31.68 66.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.552 -0.718 . . . . 1.4299999999999999 109.474 179.679 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.88 78.59 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.3 109.654 -179.831 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -82.09 -37.69 25.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.4199999999999999 109.239 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.66 -5.05 30.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 1.5800000000000001 109.226 179.738 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.49 1.95 86.48 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.509 -1.436 . . . . 1.54 109.509 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.28 110.3 18.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.18 -1.188 . . . . 4.5499999999999998 109.395 -179.887 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.429 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 1.6 mt-10 -50.89 -53.38 48.24 Favored Pre-proline 0 N--CA 1.487 1.406 0 O-C-N 121.183 -0.948 . . . . 5.71 110.295 179.995 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.1 Cg_endo -60.63 142.76 98.72 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 N-CA-C 109.685 -0.929 . . . . 6.0899999999999999 109.685 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 117.935 -1.481 . . . . 7.2400000000000002 109.546 179.914 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.315 -0.624 . . . . 7.6699999999999999 109.315 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 45.9 mttm 56.51 17.38 2.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.868 . . . . 7.46 109.753 179.919 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' B' ' 323' ' ' LEU . 72.8 mttt 53.83 80.21 0.31 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.013 . . . . 6.79 109.364 179.787 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.28 28.49 0.1 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 121.618 1.545 . . . . 5.1500000000000004 110.834 -179.448 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.544 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.2 mt -79.0 127.81 32.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.878 -1.139 . . . . 4.6600000000000001 108.935 179.515 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.18 99.37 7.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.169 -0.957 . . . . 2.4700000000000002 110.266 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -75.01 163.11 54.12 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.936 -1.666 . . . . 1.0600000000000001 108.936 179.212 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.67 122.61 15.75 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.966 -1.314 . . . . 1.6100000000000001 109.6 179.957 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 79.0 m-85 -98.86 152.48 19.7 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.185 -0.947 . . . . 0.96999999999999997 110.074 -179.934 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -141.57 137.31 31.87 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.694 -0.854 . . . . 0.59999999999999998 108.694 178.929 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -93.74 163.95 13.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.335 -0.853 . . . . 1.1000000000000001 109.066 -179.912 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.38 130.74 14.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 1.1000000000000001 110.087 -179.228 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.15 128.43 34.66 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.642 -0.873 . . . . 1.3600000000000001 108.642 179.381 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.25 115.64 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.541 -0.724 . . . . 1.1699999999999999 109.706 -179.44 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.24 156.95 33.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.429 -0.795 . . . . 2.79 109.812 179.633 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.81 138.79 2.27 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.349 -1.1 . . . . 0.47999999999999998 110.349 179.359 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.31 -48.93 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.386 179.713 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.21 -39.68 79.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 2.21 109.095 179.879 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.02 99.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.407 -0.808 . . . . 3.5499999999999998 109.391 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.46 -56.18 23.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.568 -0.708 . . . . 0.52000000000000002 109.805 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.69 40.06 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 1.6799999999999999 109.964 -179.542 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.32 -53.91 41.47 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.162 -0.961 . . . . 1.1499999999999999 110.552 -179.266 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.65 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.058 -1.026 . . . . 0.33000000000000002 109.183 -179.575 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.222 -0.924 . . . . 3.02 109.152 179.456 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.05 -43.85 98.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 1.75 109.851 -179.825 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.75 94.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 1.0700000000000001 109.262 -179.959 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.43 -54.7 44.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 1.21 109.513 179.792 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.69 -33.75 75.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.6899999999999999 109.48 -179.897 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.26 24.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.0600000000000001 109.951 -179.652 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.49 -45.31 94.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.462 -179.879 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.75 -34.24 72.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 1.9299999999999999 109.494 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.21 -50.03 69.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.277 -0.89 . . . . 1.1399999999999999 109.398 -179.883 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.43 -47.13 83.19 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 2.1899999999999999 109.009 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.83 -31.76 66.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 109.454 179.693 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.91 78.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 1.3100000000000001 109.612 -179.779 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -82.0 -37.64 26.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.937 . . . . 1.3999999999999999 109.378 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -5.01 30.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.345 -0.847 . . . . 1.5700000000000001 109.292 179.634 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.93 86.64 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.484 -1.446 . . . . 1.53 109.484 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.26 110.31 18.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.214 -1.168 . . . . 4.5800000000000001 109.394 -179.888 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.432 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 1.6 mt-10 -50.95 -53.38 48.56 Favored Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.258 -0.901 . . . . 5.6799999999999997 110.209 -179.942 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.1 Cg_endo -60.58 142.68 98.55 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 120.684 0.923 . . . . 6.0499999999999998 109.719 179.946 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.967 -1.463 . . . . 7.2000000000000002 109.549 179.971 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.311 -0.625 . . . . 9.2200000000000006 109.311 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 56.4 17.42 2.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.36 -0.838 . . . . 8.5099999999999998 109.815 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' C' ' 323' ' ' LEU . 72.7 mttt 53.87 80.26 0.3 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.118 -0.989 . . . . 7.4199999999999999 109.346 179.71 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.3 28.39 0.1 Allowed 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.601 1.534 . . . . 5.0499999999999998 110.798 -179.396 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.2 mt -79.03 127.94 32.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.935 -1.103 . . . . 5.1399999999999997 108.824 179.607 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.25 98.98 7.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.123 -0.986 . . . . 2.8500000000000001 110.235 -179.256 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.544 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -74.34 163.13 54.41 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.999 -1.641 . . . . 1.27 108.999 179.063 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.81 122.73 16.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.32 . . . . 2.1099999999999999 109.576 179.8 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 79.3 m-85 -98.92 152.51 19.69 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 1.01 110.081 -179.936 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.56 137.3 31.86 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.721 -0.844 . . . . 0.57999999999999996 108.721 178.891 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -93.7 163.87 13.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.318 -0.864 . . . . 1.1599999999999999 109.105 -179.971 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.29 130.69 14.73 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.115 -0.991 . . . . 1.1699999999999999 110.113 -179.197 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.12 128.48 34.67 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.597 -0.89 . . . . 1.8100000000000001 108.597 179.395 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.31 115.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.463 -0.773 . . . . 1.1299999999999999 109.752 -179.459 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.28 156.95 33.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.449 -0.782 . . . . 2.8199999999999998 109.77 179.762 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.76 138.93 2.28 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.337 -1.105 . . . . 0.45000000000000001 110.337 179.344 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -83.47 -48.84 9.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.345 -1.091 . . . . 3.0800000000000001 109.395 179.702 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.15 -39.86 79.9 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.213 -0.929 . . . . 2.54 109.134 179.776 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.89 -43.15 98.87 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 4.1100000000000003 109.329 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.51 -56.05 24.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.728 . . . . 0.56999999999999995 109.83 -179.758 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.72 40.11 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 110.006 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.29 -53.89 41.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.22 -0.925 . . . . 1.29 110.486 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.61 -43.21 99.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.055 -1.028 . . . . 0.40000000000000002 109.211 -179.595 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -51.83 -44.41 63.55 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.224 -0.922 . . . . 3.8500000000000001 109.127 179.539 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.88 -43.92 97.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.78 109.924 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.81 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 1.1699999999999999 109.195 -179.907 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.37 -54.77 43.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.194 -0.941 . . . . 1.2 109.47 179.854 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.76 -33.68 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.1200000000000001 109.435 -179.774 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.7 -56.3 23.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.973 -179.678 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.5 -45.32 94.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 1.1399999999999999 109.426 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.74 -34.18 72.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.239 -0.913 . . . . 2.0899999999999999 109.447 -179.984 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.24 -50.12 69.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.391 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.31 -47.19 83.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 2.6800000000000002 109.056 179.816 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.82 -31.77 66.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.56 -0.712 . . . . 1.3400000000000001 109.41 179.743 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -34.84 78.62 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.3 109.68 -179.823 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -82.14 -37.59 25.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 1.8 109.323 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.72 -4.98 30.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 1.47 109.246 179.659 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.51 1.99 86.43 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.552 -1.419 . . . . 1.6599999999999999 109.552 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.31 110.34 19.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.28 -1.13 . . . . 4.7800000000000002 109.366 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 1.6 mt-10 -50.97 -53.34 49.04 Favored Pre-proline 0 N--CA 1.488 1.447 0 O-C-N 121.235 -0.915 . . . . 6.1900000000000004 110.178 -179.911 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.1 Cg_endo -60.7 142.78 98.74 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 N-CA-C 109.644 -0.945 . . . . 6.1799999999999997 109.644 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 CA-C-O 118.024 -1.431 . . . . 6.9000000000000004 109.542 179.898 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.326 -0.62 . . . . 7.6900000000000004 109.326 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 45.9 mttm 56.45 17.37 2.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.427 -0.796 . . . . 7.4500000000000002 109.778 179.94 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' D' ' 323' ' ' LEU . 72.7 mttt 53.82 80.26 0.3 Allowed Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.968 . . . . 6.8399999999999999 109.376 179.791 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -66.24 28.37 0.1 Allowed 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 121.686 1.59 . . . . 5.1200000000000001 110.843 -179.429 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.3 mt -78.95 127.79 32.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.887 -1.133 . . . . 4.6600000000000001 108.863 179.609 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.26 98.98 7.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 2.46 110.294 -179.271 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -74.2 163.14 54.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.053 -1.619 . . . . 1.0800000000000001 109.053 179.037 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -61.82 122.69 16.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.886 -1.361 . . . . 1.6699999999999999 109.571 179.761 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 78.7 m-85 -98.89 152.44 19.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.231 -0.918 . . . . 1.01 110.131 -179.975 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -141.51 137.36 32.02 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.713 -0.847 . . . . 0.63 108.713 178.901 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -93.72 163.97 13.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 1.1299999999999999 109.109 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.35 130.76 14.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 110.015 -179.217 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.48 34.68 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.673 -0.862 . . . . 1.3700000000000001 108.673 179.319 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.29 115.59 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.551 -0.718 . . . . 1.1499999999999999 109.711 -179.408 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.26 156.95 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.419 -0.801 . . . . 2.77 109.797 179.689 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.86 138.74 2.28 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.301 -1.12 . . . . 0.42999999999999999 110.301 179.293 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.25 -48.86 10.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.373 -1.075 . . . . 3.1200000000000001 109.453 179.734 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.25 -39.7 79.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 2.2200000000000002 109.092 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.0 99.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.419 -0.801 . . . . 3.5 109.395 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.5 -56.13 23.82 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.563 -0.71 . . . . 0.5 109.854 -179.863 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.1 -38.68 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.961 -179.614 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.37 -53.9 41.37 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.193 -0.942 . . . . 1.1399999999999999 110.475 -179.177 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -43.24 99.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.049 -1.032 . . . . 0.32000000000000001 109.185 -179.596 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.74 -44.41 63.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.243 -0.911 . . . . 2.96 109.186 179.511 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.93 -43.88 98.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.75 109.869 -179.869 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.84 -40.82 94.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.175 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.36 -54.77 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -0.92 . . . . 1.22 109.476 179.839 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.79 -33.73 75.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.343 -0.848 . . . . 1.73 109.429 -179.74 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.19 25.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 1.0700000000000001 109.944 -179.632 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.53 -45.16 95.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 1.1100000000000001 109.516 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.92 -34.18 72.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.426 -179.987 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.17 -50.15 69.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 1.1699999999999999 109.376 -179.94 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.36 -47.2 83.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.863 . . . . 2.1499999999999999 108.973 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.73 -31.84 66.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 1.4399999999999999 109.483 179.727 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.88 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 1.3 109.665 -179.807 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -82.04 -37.67 26.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.92 . . . . 1.3999999999999999 109.353 179.953 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -5.04 30.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.894 . . . . 1.6000000000000001 109.256 179.655 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.95 86.6 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.554 -1.418 . . . . 1.5 109.554 179.988 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.23 110.31 18.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -1.186 . . . . 4.5499999999999998 109.425 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.427 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 1.6 mt-10 -50.85 -53.42 47.63 Favored Pre-proline 0 C--N 1.304 -1.379 0 O-C-N 121.176 -0.952 . . . . 5.6699999999999999 110.284 -179.995 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.1 Cg_endo -60.63 142.82 98.88 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 N-CA-C 109.662 -0.938 . . . . 6.1200000000000001 109.662 179.975 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 117.95 -1.472 . . . . 7.2699999999999996 109.494 179.9 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.457 -0.571 . . . . 7.6600000000000001 109.457 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 322' ' ' PRO . 10.0 mptt 52.06 10.99 0.13 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.351 -0.843 . . . . 7.5099999999999998 110.139 179.652 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 320' ' ' LYS . 35.5 mtmt 18.62 -81.15 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.591 0 CA-C-O 118.028 -0.987 . . . . 6.8099999999999996 112.19 -179.356 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 320' ' ' LYS . 1.4 Cg_endo -57.18 105.86 0.2 Allowed 'Trans proline' 0 N--CA 1.479 0.626 0 CA-C-N 120.731 1.297 . . . . 5.1500000000000004 109.64 178.74 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.99 93.5 6.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.997 . . . . 4.7000000000000002 109.132 179.705 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -87.61 -12.33 45.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.479 -0.763 . . . . 2.48 109.985 -179.681 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.42 124.01 12.57 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 119.702 -1.237 . . . . 1.0800000000000001 110.215 -179.471 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.61 133.72 52.85 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.735 -0.862 . . . . 1.7 109.195 179.291 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -96.79 148.99 22.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.131 -0.981 . . . . 1.04 109.838 -179.934 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.53 140.75 35.28 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.373 -0.829 . . . . 0.65000000000000002 108.921 179.466 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -98.19 165.08 12.05 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.332 -179.949 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -150.41 133.01 15.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.275 -0.891 . . . . 1.0900000000000001 109.952 -179.463 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.73 126.57 34.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.382 -0.824 . . . . 1.3700000000000001 108.872 179.353 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.93 114.59 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.462 -0.774 . . . . 1.1499999999999999 109.871 -179.632 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.11 154.31 35.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 2.79 109.657 179.625 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.53 4.16 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.169 -1.172 . . . . 0.45000000000000001 110.169 179.418 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -84.23 -51.08 7.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -1.076 . . . . 3.1600000000000001 109.379 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.25 -40.92 78.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.125 179.84 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.17 -45.69 90.64 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.683 -0.858 . . . . 3.54 108.683 179.487 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.72 -52.65 64.15 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.647 -0.658 . . . . 0.5 109.259 179.434 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.57 -40.15 62.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 1.6599999999999999 109.866 -179.73 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 24.3 ttp -62.71 -50.33 71.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.321 -0.862 . . . . 1.1499999999999999 110.229 -179.577 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.08 -44.96 96.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.19 -0.944 . . . . 0.34000000000000002 109.148 -179.74 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.58 60.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 2.9399999999999999 109.261 179.764 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -61.33 -52.76 63.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.74 109.868 -179.646 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.22 -35.75 76.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.096 -1.003 . . . . 1.0700000000000001 108.675 179.788 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.74 -57.6 12.3 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.46 -0.775 . . . . 1.22 109.387 179.522 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 1.72 109.573 179.962 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.46 -51.62 69.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 110.138 -179.447 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.77 -46.51 89.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 1.0800000000000001 109.428 -179.741 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.146 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.38 -51.86 57.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.085 179.902 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.27 -37.99 85.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.276 -0.89 . . . . 2.1400000000000001 108.946 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -55.73 -36.83 67.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.67 -0.644 . . . . 1.4299999999999999 109.294 179.784 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.15 73.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.446 -0.784 . . . . 1.3 109.556 179.905 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.2 -2.62 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 1.4199999999999999 109.656 -179.843 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.31 -85.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.5800000000000001 109.374 -179.961 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.16 103.56 1.6 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.757 -1.337 . . . . 1.54 109.757 -179.928 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -85.33 134.84 34.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -1.127 . . . . 4.5499999999999998 108.959 179.758 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.05 138.89 24.57 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 5.71 109.331 -179.379 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.47 140.06 89.52 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 C-N-CA 120.783 0.988 . . . . 6.0899999999999999 109.603 179.407 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 117.929 -1.484 . . . . 7.2400000000000002 109.423 179.896 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' B' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.5 -0.556 . . . . 7.6699999999999999 109.5 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' B' ' 321' ' ' LYS . 10.0 mptt 52.15 10.88 0.13 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.362 -0.836 . . . . 7.46 110.125 179.61 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' B' ' 320' ' ' LYS . 35.5 mtmt 18.63 -81.13 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.62 0 CA-C-O 117.998 -1.001 . . . . 6.79 112.226 -179.318 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.493 ' N ' ' O ' ' B' ' 320' ' ' LYS . 1.4 Cg_endo -57.25 105.9 0.21 Allowed 'Trans proline' 0 C--O 1.215 -0.659 0 CA-C-N 120.734 1.298 . . . . 5.1500000000000004 109.605 178.771 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 93.63 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.951 . . . . 4.6600000000000001 109.111 179.701 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -87.63 -12.05 46.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.43 -0.794 . . . . 2.4700000000000002 110.023 -179.747 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.8 124.12 11.71 Favored Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.706 -1.235 . . . . 1.0600000000000001 110.143 -179.402 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.67 133.76 52.85 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.741 -0.858 . . . . 1.6100000000000001 109.209 179.331 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.85 148.86 22.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.202 -0.936 . . . . 0.96999999999999997 109.893 -179.916 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.49 140.68 35.36 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.455 -0.778 . . . . 0.59999999999999998 108.921 179.526 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.12 164.95 12.12 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.342 -0.848 . . . . 1.1000000000000001 109.322 -179.896 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.29 133.04 15.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.94 . . . . 1.1000000000000001 110.0 -179.544 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.77 126.55 34.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 1.3600000000000001 108.932 179.337 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.96 114.56 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.418 -0.801 . . . . 1.1699999999999999 109.868 -179.572 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.455 -0.778 . . . . 2.79 109.727 179.606 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.46 4.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.127 -1.189 . . . . 0.47999999999999998 110.127 179.412 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -84.15 -51.04 7.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -1.082 . . . . 3.2200000000000002 109.408 179.671 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.1 78.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 2.21 109.074 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.06 -45.71 90.92 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.711 -0.848 . . . . 3.5499999999999998 108.711 179.508 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.66 -52.67 64.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.277 -0.638 . . . . 0.52000000000000002 109.277 179.428 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.16 62.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 1.6799999999999999 109.842 -179.71 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.3 ttp -62.73 -50.32 71.57 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 1.1499999999999999 110.234 -179.563 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.19 -44.83 96.67 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.247 -0.908 . . . . 0.33000000000000002 109.165 -179.751 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.65 60.27 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.167 -0.958 . . . . 3.02 109.234 179.703 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.29 -52.71 63.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 1.75 109.901 -179.612 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.27 -35.7 76.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 1.0700000000000001 108.741 179.726 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.77 -57.64 12.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.471 -0.768 . . . . 1.21 109.382 179.476 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.57 -31.42 72.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.629 179.97 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.47 69.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 1.0600000000000001 110.147 -179.475 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.79 -46.43 89.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.076 -1.015 . . . . 1.0800000000000001 109.481 -179.808 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -58.54 -34.0 70.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 1.9299999999999999 109.045 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.34 -51.87 57.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.363 -0.835 . . . . 1.1399999999999999 109.147 179.828 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.2 -38.18 85.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.84 . . . . 2.1899999999999999 108.892 179.739 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.56 -36.91 67.34 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.273 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.06 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.38 -0.825 . . . . 1.3100000000000001 109.545 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.21 -2.64 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 1.3999999999999999 109.572 -179.827 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.25 -85.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 1.5700000000000001 109.422 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.02 103.43 1.57 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.804 -1.318 . . . . 1.53 109.804 179.996 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.19 134.8 34.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -1.123 . . . . 4.5800000000000001 109.045 179.66 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.07 138.83 24.85 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 5.6799999999999997 109.383 -179.386 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.42 140.05 89.61 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.833 1.022 . . . . 6.0499999999999998 109.648 179.436 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.44 -1.464 . . . . 7.2000000000000002 109.44 179.919 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' C' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.245 0.545 . . . . 9.2200000000000006 109.551 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' C' ' 322' ' ' PRO . 10.0 mptt 52.04 10.99 0.13 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 8.5099999999999998 110.149 179.638 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' C' ' 320' ' ' LYS . 35.5 mtmt 18.6 -81.09 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.621 0 CA-C-O 117.948 -1.025 . . . . 7.4199999999999999 112.175 -179.359 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' C' ' 320' ' ' LYS . 1.3 Cg_endo -57.28 105.96 0.21 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.748 1.303 . . . . 5.0499999999999998 109.572 178.812 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 21.0 mt -82.03 93.55 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.935 . . . . 5.1399999999999997 109.123 179.676 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.63 -12.11 46.52 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.478 -0.764 . . . . 2.8500000000000001 110.056 -179.753 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.61 124.15 12.24 Favored Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.698 -1.239 . . . . 1.27 110.17 -179.466 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.73 133.74 52.71 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.728 -0.866 . . . . 2.1099999999999999 109.173 179.357 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.79 149.03 22.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 1.01 109.774 -179.898 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -140.62 140.7 35.11 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -0.76 . . . . 0.57999999999999996 108.963 179.423 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.15 165.08 12.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.402 -0.811 . . . . 1.1599999999999999 109.242 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -150.43 132.95 15.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.977 . . . . 1.1699999999999999 110.003 -179.512 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.68 126.55 34.03 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.895 -0.78 . . . . 1.8100000000000001 108.895 179.356 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.6 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.617 -0.677 . . . . 1.1299999999999999 109.861 -179.69 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.33 -0.856 . . . . 2.8199999999999998 109.662 179.582 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.56 4.14 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.079 -1.208 . . . . 0.45000000000000001 110.079 179.366 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.31 -51.03 7.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.24 -1.153 . . . . 3.0800000000000001 109.364 179.725 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.04 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.336 -0.853 . . . . 2.54 109.114 179.839 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.02 -45.78 90.68 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.736 -0.839 . . . . 4.1100000000000003 108.736 179.437 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -56.58 -52.73 63.69 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.614 -0.679 . . . . 0.56999999999999995 109.245 179.435 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.18 62.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.436 -0.79 . . . . 1.6599999999999999 109.815 -179.633 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.2 ttp -62.69 -50.26 71.87 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.339 -0.851 . . . . 1.29 110.269 -179.574 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.21 -44.88 96.57 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.188 -0.945 . . . . 0.40000000000000002 109.165 -179.736 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.15 -41.63 60.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.156 -0.965 . . . . 3.8500000000000001 109.206 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -61.19 -52.87 62.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 1.78 109.855 -179.638 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.17 -35.75 76.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.703 179.794 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.86 -57.57 12.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.546 -0.721 . . . . 1.2 109.319 179.581 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.58 -31.44 72.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.593 -179.972 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.351 -0.843 . . . . 1.0700000000000001 110.106 -179.474 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.82 -46.45 89.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.046 -1.034 . . . . 1.1399999999999999 109.432 -179.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.37 -34.06 70.28 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.163 179.821 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.36 -51.78 58.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.345 -0.847 . . . . 1.3799999999999999 109.144 179.885 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -61.23 -38.13 85.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 2.6800000000000002 109.006 179.612 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.72 -36.74 67.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.363 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.06 74.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.339 -0.85 . . . . 1.3 109.632 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.22 -2.68 49.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.321 -0.862 . . . . 1.8 109.574 -179.843 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.28 -85.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.186 -0.946 . . . . 1.47 109.42 179.999 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.14 103.5 1.59 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.792 -1.323 . . . . 1.6599999999999999 109.792 -179.94 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.23 134.85 34.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.298 -1.119 . . . . 4.7800000000000002 109.02 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -50.97 138.87 23.91 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.136 -0.978 . . . . 6.1900000000000004 109.33 -179.403 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.58 140.12 89.53 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 N-CA-C 109.632 -0.949 . . . . 6.1799999999999997 109.632 179.386 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.945 -1.475 . . . . 6.9000000000000004 109.483 179.878 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' D' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.446 -0.575 . . . . 7.6900000000000004 109.446 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' D' ' 321' ' ' LYS . 10.0 mptt 52.12 10.9 0.13 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.293 -0.879 . . . . 7.4500000000000002 110.103 179.608 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' D' ' 320' ' ' LYS . 35.5 mtmt 18.65 -81.18 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.614 0 CA-C-O 117.975 -1.012 . . . . 6.8399999999999999 112.234 -179.346 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' D' ' 320' ' ' LYS . 1.4 Cg_endo -57.19 105.88 0.2 Allowed 'Trans proline' 0 C--O 1.215 -0.646 0 CA-C-N 120.78 1.314 . . . . 5.1200000000000001 109.577 178.757 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.98 93.58 6.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -0.956 . . . . 4.6600000000000001 109.119 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -87.63 -12.2 46.26 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.397 -0.814 . . . . 2.46 110.066 -179.738 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.47 124.02 12.46 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.743 -1.218 . . . . 1.0800000000000001 110.171 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.73 133.74 52.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.643 -0.916 . . . . 1.6699999999999999 109.119 179.341 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.74 149.02 22.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.179 -0.951 . . . . 1.01 109.872 -179.947 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.56 140.72 35.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.31 -0.869 . . . . 0.63 108.932 179.475 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -98.17 165.07 12.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 1.1299999999999999 109.29 -179.939 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.35 133.05 15.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 1.1000000000000001 109.957 -179.505 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.9 126.66 34.25 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.349 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.56 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.603 -0.686 . . . . 1.1499999999999999 109.895 -179.593 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.08 154.23 35.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 2.77 109.758 179.62 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.78 138.55 4.2 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.131 -1.188 . . . . 0.42999999999999999 110.131 179.451 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.24 -51.11 7.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -1.08 . . . . 3.1200000000000001 109.384 179.628 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.21 -41.05 78.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.889 . . . . 2.2200000000000002 109.085 179.914 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.05 -45.77 90.67 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.66 -0.867 . . . . 3.5 108.66 179.47 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.63 -52.71 63.84 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.646 -0.659 . . . . 0.5 109.246 179.498 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.55 -40.23 62.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -0.772 . . . . 1.6899999999999999 109.752 -179.644 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 24.2 ttp -62.68 -50.33 71.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.35 -0.843 . . . . 1.1399999999999999 110.278 -179.525 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.14 -44.86 96.67 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.187 -0.946 . . . . 0.32000000000000001 109.179 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -51.2 -41.54 60.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.15 -0.969 . . . . 2.96 109.282 179.737 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.31 -52.78 63.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 1.75 109.843 -179.66 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.27 -35.67 76.06 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.205 -0.934 . . . . 1.0800000000000001 108.658 179.826 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.8 -57.65 12.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.432 -0.792 . . . . 1.22 109.337 179.531 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.57 -31.46 72.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 1.73 109.601 -179.999 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.55 69.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 1.0700000000000001 110.188 -179.503 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.75 -46.65 88.72 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.127 -0.983 . . . . 1.1100000000000001 109.414 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.3 -34.08 70.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.112 179.863 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.41 -51.71 58.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.36 -0.837 . . . . 1.1699999999999999 109.189 179.887 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.22 -38.15 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 2.1499999999999999 108.943 179.636 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.66 -36.75 67.42 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.616 -0.677 . . . . 1.4399999999999999 109.325 179.807 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.16 73.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 1.3 109.47 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.18 -2.62 49.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 1.3999999999999999 109.608 -179.828 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.23 -85.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 1.6000000000000001 109.418 -179.991 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.18 103.55 1.6 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.752 -1.339 . . . . 1.5 109.752 -179.98 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.27 134.84 34.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.236 -1.155 . . . . 4.5499999999999998 109.002 179.648 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.05 138.83 24.65 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.133 -0.979 . . . . 5.6699999999999999 109.374 -179.376 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -60.43 140.0 89.36 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 120.827 1.018 . . . . 6.1200000000000001 109.626 179.378 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.413 -1.475 . . . . 7.2699999999999996 109.413 179.947 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.268 -0.641 . . . . 7.6600000000000001 109.268 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 55.94 -144.06 0.69 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.885 . . . . 7.5099999999999998 109.749 -179.995 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 323' ' ' LEU . 46.6 tttm 56.86 66.92 2.88 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.342 -0.849 . . . . 6.8099999999999996 109.999 -179.917 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.6 Cg_endo -66.21 4.53 0.93 Allowed 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.506 1.47 . . . . 5.1500000000000004 109.788 179.868 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 3.9 mm? -80.94 24.15 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.364 -0.835 . . . . 4.7000000000000002 109.421 -179.843 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 322' ' ' PRO . 50.0 m-20 -77.99 -133.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.375 -0.828 . . . . 2.48 109.838 -179.591 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.47 146.9 46.34 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.011 -1.236 . . . . 1.0800000000000001 110.011 -179.43 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.56 142.35 55.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.479 -1.013 . . . . 1.7 109.379 179.84 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.51 148.62 22.63 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 1.04 110.23 -179.751 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.5 137.15 35.26 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.64 -0.874 . . . . 0.65000000000000002 108.64 179.083 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.6 166.15 12.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.313 -179.692 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.1 tp -149.79 129.28 13.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 1.0900000000000001 109.693 -179.581 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.7 125.59 32.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.374 -0.828 . . . . 1.3700000000000001 108.943 179.73 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -124.43 115.84 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.582 -0.699 . . . . 1.1499999999999999 109.701 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -76.42 158.26 31.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 2.79 109.766 179.408 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.03 1.75 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.293 -1.123 . . . . 0.45000000000000001 110.293 179.364 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.523 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.0 OUTLIER -83.14 -47.29 11.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.358 -1.084 . . . . 3.1600000000000001 108.995 179.639 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.14 -43.5 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.369 179.854 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.412 HH22 ' CG ' ' C' ' 352' ' ' ASP . 42.7 ttm180 -62.43 -42.95 99.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.398 -0.814 . . . . 3.54 109.196 179.726 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -55.39 -50.0 70.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.525 -0.735 . . . . 0.5 109.498 179.687 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.44 -39.61 61.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 110.086 -179.632 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.05 -49.12 77.26 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 110.251 -179.282 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.64 -44.56 96.26 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.175 -0.953 . . . . 0.34000000000000002 109.25 -179.713 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.89 -42.75 59.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.913 . . . . 2.9399999999999999 109.458 179.632 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.03 -51.42 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 1.74 109.709 -179.882 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.8 -37.44 81.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 1.0700000000000001 108.952 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.52 -54.69 44.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.323 -0.86 . . . . 1.22 109.213 179.514 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -63.18 -32.92 74.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 1.72 109.687 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.05 40.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 1.0700000000000001 110.093 -179.505 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 1.0800000000000001 109.556 -179.712 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -59.24 -35.77 74.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.9099999999999999 109.654 -179.91 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.24 -49.82 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.408 -179.841 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.74 -46.7 86.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 2.1400000000000001 109.101 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.42 ' CG ' HH22 ' C' ' 337' ' ' ARG . 2.6 m-20 -57.7 -30.9 65.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.433 179.613 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.92 -45.68 73.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.3 110.17 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.26 -7.83 59.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.158 -0.964 . . . . 1.4199999999999999 109.8 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.82 -8.94 57.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.112 -0.993 . . . . 1.5800000000000001 109.311 179.749 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -11.57 73.91 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.742 -1.343 . . . . 1.54 109.742 -179.945 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.13 -0.84 57.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.268 . . . . 4.5499999999999998 109.383 179.971 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.73 111.45 1.88 Allowed Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 5.71 109.344 -179.901 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.98 138.45 78.78 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 C-N-CA 120.645 0.897 . . . . 6.0899999999999999 110.089 -179.73 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.534 -1.426 . . . . 7.2400000000000002 109.534 179.725 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.344 -0.613 . . . . 7.6699999999999999 109.344 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 55.87 -143.93 0.7 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.255 -0.903 . . . . 7.46 109.762 -179.963 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' B' ' 323' ' ' LEU . 46.6 tttm 56.67 66.98 2.9 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.356 -0.84 . . . . 6.79 110.015 -179.846 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.6 Cg_endo -66.16 4.58 0.9 Allowed 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.507 1.472 . . . . 5.1500000000000004 109.896 179.783 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 3.8 mm? -81.03 24.19 0.52 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.921 . . . . 4.6600000000000001 109.348 -179.779 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' B' ' 322' ' ' PRO . 50.0 m-20 -78.0 -133.32 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -0.824 . . . . 2.4700000000000002 109.818 -179.572 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.27 146.88 46.64 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.11 -1.196 . . . . 1.0600000000000001 110.11 -179.535 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.5 142.37 55.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.488 -1.007 . . . . 1.6100000000000001 109.374 179.806 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -96.53 148.58 22.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.25 -0.906 . . . . 0.96999999999999997 110.234 -179.766 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.44 137.15 35.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.61 -0.885 . . . . 0.59999999999999998 108.61 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.57 166.4 12.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.329 -0.857 . . . . 1.1000000000000001 109.342 -179.728 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -150.04 129.15 12.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.665 -179.593 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.62 125.54 32.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.844 . . . . 1.3600000000000001 109.031 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -124.37 115.75 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.557 -0.714 . . . . 1.1699999999999999 109.744 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -76.43 158.28 31.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.852 . . . . 2.79 109.788 179.447 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.29 135.13 1.73 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.268 -1.133 . . . . 0.47999999999999998 110.268 179.442 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.522 ' HG2' HH11 ' B' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.35 11.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -1.023 . . . . 3.2200000000000002 109.024 179.631 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.19 -43.39 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 2.21 109.411 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.483 HH22 ' CG ' ' D' ' 352' ' ' ASP . 42.7 ttm180 -62.47 -42.99 99.87 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.249 -0.907 . . . . 3.5499999999999998 109.183 179.699 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.33 -50.05 70.61 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.542 -0.724 . . . . 0.52000000000000002 109.477 179.667 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.47 -39.55 61.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 1.6799999999999999 110.02 -179.617 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.09 -49.13 77.15 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.257 -0.902 . . . . 1.1499999999999999 110.234 -179.24 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.68 -44.54 96.37 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.33000000000000002 109.265 -179.706 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.84 -42.84 58.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.923 . . . . 3.02 109.442 179.601 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.29 69.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.939 . . . . 1.75 109.688 -179.821 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.87 -37.43 82.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 108.948 179.867 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.57 -54.61 45.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 1.21 109.264 179.498 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.23 -32.9 74.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -0.86 . . . . 1.6899999999999999 109.647 179.866 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -55.05 40.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 1.0600000000000001 110.142 -179.505 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.09 -43.87 98.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 1.0800000000000001 109.598 -179.765 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.18 -35.8 74.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 109.613 -179.844 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.24 -49.82 70.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 109.4 -179.872 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.78 -46.61 87.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.375 -0.828 . . . . 2.1899999999999999 109.06 -179.938 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.452 ' CG ' HH22 ' D' ' 337' ' ' ARG . 2.6 m-20 -57.83 -30.83 66.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.523 -0.736 . . . . 1.4299999999999999 109.437 179.635 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.59 73.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.3100000000000001 110.16 -179.655 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.36 -7.84 59.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.3999999999999999 109.766 -179.584 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.87 57.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 1.5700000000000001 109.318 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -11.58 73.89 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.749 -1.34 . . . . 1.53 109.749 -179.961 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.15 -0.85 57.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -1.186 . . . . 4.5800000000000001 109.358 -179.983 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.74 111.5 1.91 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.857 . . . . 5.6799999999999997 109.344 -179.889 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.0 138.44 78.61 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 C-N-CA 120.669 0.913 . . . . 6.0499999999999998 110.148 -179.737 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.975 -1.458 . . . . 7.2000000000000002 109.533 179.809 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.268 -0.642 . . . . 9.2200000000000006 109.268 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 55.89 -144.03 0.69 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.315 -0.866 . . . . 8.5099999999999998 109.772 -179.941 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' C' ' 323' ' ' LEU . 46.4 tttm 56.79 66.98 2.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.343 -0.848 . . . . 7.4199999999999999 110.034 -179.87 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.6 Cg_endo -66.24 4.6 0.91 Allowed 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 121.554 1.503 . . . . 5.0499999999999998 109.822 179.84 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' C' ' 321' ' ' LYS . 3.9 mm? -81.1 24.21 0.53 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 5.1399999999999997 109.361 -179.783 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' C' ' 322' ' ' PRO . 49.6 m-20 -77.98 -133.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 2.8500000000000001 109.853 -179.654 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 146.86 46.37 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.972 -1.251 . . . . 1.27 109.972 -179.419 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.46 142.3 55.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.464 -1.021 . . . . 2.1099999999999999 109.366 179.836 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.49 148.6 22.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.216 -0.928 . . . . 1.01 110.25 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.54 137.02 35.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.672 -0.862 . . . . 0.57999999999999996 108.672 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.5 166.15 12.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.311 -0.868 . . . . 1.1599999999999999 109.409 -179.697 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.92 129.28 12.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.1699999999999999 109.582 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.64 125.56 32.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.8100000000000001 108.968 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -124.45 115.8 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.629 -0.67 . . . . 1.1299999999999999 109.683 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -76.41 158.18 31.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.8199999999999998 109.834 179.371 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 135.1 1.82 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.21 -1.156 . . . . 0.45000000000000001 110.21 179.37 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.532 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.0 OUTLIER -83.09 -47.39 11.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -1.093 . . . . 3.0800000000000001 109.014 179.557 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.12 -43.44 91.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 2.54 109.44 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.42 HH22 ' CG ' ' A' ' 352' ' ' ASP . 42.7 ttm180 -62.48 -42.96 99.85 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.351 -0.843 . . . . 4.1100000000000003 109.172 179.728 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.36 -50.03 70.72 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.509 -0.744 . . . . 0.56999999999999995 109.472 179.657 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.42 -39.56 61.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 1.6599999999999999 110.058 -179.598 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.06 -49.1 77.31 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.184 -0.948 . . . . 1.29 110.304 -179.216 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.74 -44.56 96.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.235 -0.916 . . . . 0.40000000000000002 109.194 -179.691 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.77 -42.8 58.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 3.8500000000000001 109.502 179.598 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.33 69.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 1.78 109.76 -179.893 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -60.77 -37.62 82.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 1.1699999999999999 108.915 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.39 -54.74 43.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.375 -0.828 . . . . 1.2 109.242 179.536 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.2 -32.8 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.389 -0.82 . . . . 2.1200000000000001 109.685 179.904 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.71 -54.88 42.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 1.0700000000000001 110.08 -179.421 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 109.526 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.13 -35.79 74.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 2.0899999999999999 109.653 -179.914 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.28 -49.68 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.172 -0.955 . . . . 1.3799999999999999 109.512 -179.873 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.86 -46.6 87.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 109.061 179.955 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.412 ' CG ' HH22 ' A' ' 337' ' ' ARG . 2.6 m-20 -57.76 -30.85 65.94 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.471 -0.768 . . . . 1.3400000000000001 109.379 179.602 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.67 73.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 1.3 110.09 -179.591 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.31 -7.84 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.166 -0.959 . . . . 1.8 109.814 -179.496 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.71 -9.06 58.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 1.47 109.333 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -11.59 74.21 Favored Glycine 0 N--CA 1.493 2.433 0 N-CA-C 109.78 -1.328 . . . . 1.6599999999999999 109.78 -179.943 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.12 -0.88 57.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -1.234 . . . . 4.7800000000000002 109.328 -179.968 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.67 111.4 1.85 Allowed Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.324 -0.86 . . . . 6.1900000000000004 109.376 -179.926 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.99 138.5 79.11 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 C-N-CA 120.704 0.936 . . . . 6.1799999999999997 110.091 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 118.04 -1.422 . . . . 6.9000000000000004 109.55 179.771 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.299 -0.63 . . . . 7.6900000000000004 109.299 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 55.92 -144.0 0.69 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.326 -0.859 . . . . 7.4500000000000002 109.74 179.954 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' D' ' 323' ' ' LEU . 46.5 tttm 56.7 66.97 2.9 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.371 -0.83 . . . . 6.8399999999999999 110.066 -179.854 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.15 4.49 0.93 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.529 1.486 . . . . 5.1200000000000001 109.892 179.838 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.8 mm? -81.01 24.21 0.52 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -0.882 . . . . 4.6600000000000001 109.408 -179.798 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.94 -133.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 2.46 109.849 -179.631 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 146.9 46.38 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.055 -1.218 . . . . 1.0800000000000001 110.055 -179.485 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.46 142.18 55.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.477 -1.014 . . . . 1.6699999999999999 109.417 179.818 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.39 148.59 22.63 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.284 -0.885 . . . . 1.01 110.232 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.6 137.0 34.97 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.678 -0.86 . . . . 0.63 108.678 179.088 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.32 166.26 12.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.291 -0.881 . . . . 1.1299999999999999 109.425 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.95 129.18 12.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 1.1000000000000001 109.705 -179.627 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.65 125.64 32.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.419 -0.8 . . . . 1.3700000000000001 108.981 179.723 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.4 115.86 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.521 -0.737 . . . . 1.1499999999999999 109.733 -179.548 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 158.22 31.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.32 -0.862 . . . . 2.77 109.796 179.375 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.11 1.77 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.258 -1.137 . . . . 0.42999999999999999 110.258 179.373 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.525 ' HG2' HH11 ' D' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.39 11.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.427 -1.043 . . . . 3.1200000000000001 108.993 179.621 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.13 -43.35 91.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 2.2200000000000002 109.407 179.871 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.452 HH22 ' CG ' ' B' ' 352' ' ' ASP . 42.7 ttm180 -62.54 -42.91 99.84 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.284 -0.885 . . . . 3.5 109.153 179.757 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.37 -50.02 70.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.524 -0.735 . . . . 0.5 109.497 179.694 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.41 -39.66 61.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 110.051 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.07 -49.11 77.28 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.157 -0.964 . . . . 1.1399999999999999 110.233 -179.209 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.208 -0.932 . . . . 0.32000000000000001 109.181 -179.65 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.76 -42.83 58.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 2.96 109.475 179.624 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.98 -51.4 69.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 1.75 109.712 -179.842 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.74 -37.55 82.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.113 -0.992 . . . . 1.0800000000000001 108.972 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.48 -54.65 44.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.396 -0.815 . . . . 1.22 109.222 179.546 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.21 -32.96 74.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.73 109.71 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -55.01 40.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 110.103 -179.481 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.14 -43.68 98.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 1.1100000000000001 109.579 -179.748 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.32 -35.77 74.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -0.936 . . . . 1.9099999999999999 109.563 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.9 tp -64.22 -49.85 70.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.138 -0.976 . . . . 1.1699999999999999 109.427 -179.87 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.73 -46.71 86.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 2.1499999999999999 109.05 179.995 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.483 ' CG ' HH22 ' B' ' 337' ' ' ARG . 2.6 m-20 -57.73 -30.82 65.86 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 109.445 179.667 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.62 73.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 1.3 110.129 -179.594 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -81.32 -7.96 59.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 1.3999999999999999 109.705 -179.522 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.69 -8.94 57.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.187 -0.946 . . . . 1.6000000000000001 109.356 179.767 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.73 -11.58 73.82 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.72 -1.352 . . . . 1.5 109.72 -179.929 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.1 -0.85 57.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -1.198 . . . . 4.5499999999999998 109.425 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -48.67 111.36 1.83 Allowed Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.414 -0.804 . . . . 5.6699999999999999 109.423 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.91 138.49 79.25 Favored 'Trans proline' 0 C--O 1.216 -0.622 0 C-N-CA 120.684 0.923 . . . . 6.1200000000000001 110.143 -179.729 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 118.0 -1.445 . . . . 7.2699999999999996 109.502 179.754 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.48 -0.563 . . . . 7.6600000000000001 109.48 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 321' ' ' LYS . 57.9 mttp 52.85 177.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.856 . . . . 7.5099999999999998 109.631 179.956 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 320' ' ' LYS . 34.4 tttp 62.28 129.68 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.668 -0.645 . . . . 6.8099999999999996 109.365 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.51 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.64 0 C-N-CA 120.676 0.917 . . . . 5.1500000000000004 109.975 179.81 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.7 108.74 14.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.868 . . . . 4.7000000000000002 109.418 179.957 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.09 -101.56 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 2.48 109.75 -179.971 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.06 150.1 49.9 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.85 -1.3 . . . . 1.0800000000000001 109.85 -179.615 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.79 133.85 56.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -1.019 . . . . 1.7 109.612 179.914 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 30.5 m-85 -95.13 151.12 19.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.269 -0.895 . . . . 1.04 109.471 179.802 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -141.32 138.57 33.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.2 -0.937 . . . . 0.65000000000000002 109.325 179.621 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.3 165.79 11.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.45 -0.781 . . . . 1.1399999999999999 109.069 179.817 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.3 tp -149.54 133.55 17.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.081 -1.012 . . . . 1.0900000000000001 109.885 -179.601 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.543 ' NE2' ' N ' ' A' ' 332' ' ' ILE . 1.4 tm0? -84.47 126.85 33.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 108.734 179.558 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.543 ' N ' ' NE2' ' A' ' 331' ' ' GLN . 41.7 mt -124.17 110.03 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 CA-C-O 121.575 0.702 . . . . 1.1499999999999999 109.755 -179.565 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.73 148.97 38.15 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.608 -0.683 . . . . 2.79 109.412 179.44 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.39 132.52 5.52 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.214 -1.154 . . . . 0.45000000000000001 110.214 179.544 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.12 -43.09 16.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -1.092 . . . . 3.1600000000000001 109.172 179.587 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.51 -46.86 87.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.348 -0.845 . . . . 2.2200000000000002 109.637 -179.919 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.457 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 16.6 ttm-85 -63.32 -40.42 97.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.265 -0.897 . . . . 3.54 109.803 -179.614 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.6 -54.19 24.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.5 109.449 179.973 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -52.73 -37.07 58.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.192 -0.942 . . . . 1.6599999999999999 109.802 179.928 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.5 -51.78 64.08 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.3 -0.875 . . . . 1.1499999999999999 110.419 -179.453 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.04 -43.95 94.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.09 -1.007 . . . . 0.34000000000000002 109.115 -179.86 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.82 -43.31 58.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.234 -0.916 . . . . 2.9399999999999999 109.348 179.703 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.16 -51.11 71.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 1.74 109.765 -179.729 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.28 -39.06 85.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.125 -0.984 . . . . 1.0700000000000001 108.694 179.685 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.19 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.526 -0.734 . . . . 1.22 109.67 179.725 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.39 -34.87 78.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 1.72 110.096 -179.62 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.2 38.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 110.159 -179.485 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.94 -38.94 87.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.296 -0.877 . . . . 1.0800000000000001 109.623 -179.613 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.95 -39.68 86.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.098 -1.001 . . . . 1.9099999999999999 108.743 179.226 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.35 -47.34 79.68 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.608 -0.886 . . . . 1.1499999999999999 108.608 179.528 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.49 -45.66 91.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 122.03 0.919 . . . . 2.1400000000000001 108.91 179.423 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.02 -31.13 60.83 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.224 0.535 . . . . 1.4299999999999999 109.726 -179.786 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.51 85.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 1.3 109.497 -179.964 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.42 -3.02 51.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.4199999999999999 109.715 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.88 -82.44 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 1.5800000000000001 109.554 -179.872 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.51 84.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.605 -1.398 . . . . 1.54 109.605 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.449 ' CB ' ' NZ ' ' A' ' 357' ' ' LYS . 0.3 OUTLIER -85.93 121.81 29.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -1.146 . . . . 4.5499999999999998 109.642 -179.927 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 3.4 mt-10 -52.78 -52.26 66.22 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.252 -0.905 . . . . 5.71 110.413 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 5.7 Cg_exo -59.03 156.86 31.8 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 120.747 0.965 . . . . 6.0899999999999999 109.888 -179.576 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 109.517 -1.433 . . . . 7.2400000000000002 109.517 -179.982 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.308 0.575 . . . . 7.6699999999999999 109.451 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 321' ' ' LYS . 58.0 mttp 52.84 177.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 7.46 109.672 179.938 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 320' ' ' LYS . 34.5 tttp 62.27 129.73 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.628 -0.67 . . . . 6.79 109.333 -179.992 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.48 -172.2 0.05 OUTLIER 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 120.666 0.91 . . . . 5.1500000000000004 109.98 179.792 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.67 108.69 14.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.3 -0.875 . . . . 4.6600000000000001 109.471 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.03 -101.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.314 -0.866 . . . . 2.4700000000000002 109.823 -179.966 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.03 150.06 49.9 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.997 -1.241 . . . . 1.0600000000000001 109.997 -179.785 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.75 133.91 56.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -1.064 . . . . 1.6100000000000001 109.61 179.936 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 30.3 m-85 -95.17 151.06 19.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.266 -0.896 . . . . 0.96999999999999997 109.416 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.32 138.56 33.21 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.59999999999999998 109.32 179.517 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.22 165.83 11.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 1.1000000000000001 109.105 179.791 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.56 133.61 17.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.068 -1.02 . . . . 1.1000000000000001 109.882 -179.701 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.545 ' NE2' ' N ' ' B' ' 332' ' ' ILE . 1.4 tm0? -84.48 126.94 33.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 108.767 179.495 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.545 ' N ' ' NE2' ' B' ' 331' ' ' GLN . 41.6 mt -124.21 110.09 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 CA-C-O 121.639 0.733 . . . . 1.1699999999999999 109.733 -179.521 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.77 148.92 38.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 2.79 109.377 179.434 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.153 -1.179 . . . . 0.47999999999999998 110.153 179.462 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.14 -43.1 16.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -1.099 . . . . 3.2200000000000002 109.129 179.585 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.52 -46.94 87.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.265 -0.897 . . . . 2.21 109.598 -179.88 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.461 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 16.7 ttm-85 -63.29 -40.43 97.35 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.254 -0.904 . . . . 3.5499999999999998 109.798 -179.516 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.55 -54.26 23.9 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.316 -0.865 . . . . 0.52000000000000002 109.395 179.979 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.83 -36.95 59.43 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 1.6799999999999999 109.727 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.52 -51.93 63.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.296 -0.878 . . . . 1.1499999999999999 110.366 -179.472 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.86 -44.03 94.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.33000000000000002 109.134 -179.835 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.79 -43.32 58.64 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.292 -0.88 . . . . 3.02 109.39 179.732 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.09 -51.19 70.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 1.75 109.731 -179.758 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.28 -39.03 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.147 -0.97 . . . . 1.0700000000000001 108.703 179.729 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.22 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.772 . . . . 1.21 109.684 179.751 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.31 -34.98 78.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 110.061 -179.653 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.35 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 1.0600000000000001 110.175 -179.509 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -60.85 -39.04 87.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 109.599 -179.559 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -59.98 -39.58 86.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.043 -1.036 . . . . 1.9299999999999999 108.763 179.214 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.36 -47.17 80.33 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.58 -0.896 . . . . 1.1399999999999999 108.58 179.518 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.74 -45.79 91.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.321 -0.862 . . . . 2.1899999999999999 108.833 179.46 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.97 -31.02 60.4 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 116.126 -0.488 . . . . 1.4299999999999999 109.722 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.67 84.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.862 . . . . 1.3100000000000001 109.451 -179.939 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.31 -3.02 51.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 1.3999999999999999 109.717 -179.863 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.84 -82.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 1.5700000000000001 109.582 -179.932 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.59 84.28 0.02 OUTLIER Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.637 -1.385 . . . . 1.53 109.637 -179.901 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' B' ' 357' ' ' LYS . 0.3 OUTLIER -85.94 121.88 29.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -1.18 . . . . 4.5800000000000001 109.538 -179.864 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 3.4 mt-10 -52.93 -52.24 66.93 Favored Pre-proline 0 N--CA 1.488 1.458 0 O-C-N 121.143 -0.973 . . . . 5.6799999999999997 110.412 179.971 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 5.5 Cg_exo -58.88 156.77 31.51 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 120.779 0.986 . . . . 6.0499999999999998 109.997 -179.702 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.969 -1.462 . . . . 7.2000000000000002 109.465 179.989 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.519 -0.549 . . . . 9.2200000000000006 109.519 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' C' ' 321' ' ' LYS . 57.9 mttp 52.89 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 8.5099999999999998 109.62 -179.996 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' C' ' 320' ' ' LYS . 34.5 tttp 62.27 129.67 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.611 -0.68 . . . . 7.4199999999999999 109.334 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.45 -172.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 120.66 0.907 . . . . 5.0499999999999998 110.009 179.748 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.67 108.76 14.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 5.1399999999999997 109.412 179.932 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.12 -101.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.31 -0.869 . . . . 2.8500000000000001 109.749 -179.969 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.11 150.09 49.82 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.883 -1.287 . . . . 1.27 109.883 -179.65 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.81 133.83 56.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.385 -1.068 . . . . 2.1099999999999999 109.571 179.916 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 31.3 m-85 -95.11 151.09 19.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.252 -0.905 . . . . 1.01 109.489 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -141.3 138.59 33.28 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.205 -0.934 . . . . 0.57999999999999996 109.326 179.601 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.32 165.8 11.85 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.504 -0.747 . . . . 1.1599999999999999 109.067 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.6 tp -149.55 133.58 17.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 1.1699999999999999 109.864 -179.646 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.532 ' NE2' ' N ' ' C' ' 332' ' ' ILE . 1.4 tm0? -84.43 126.84 33.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 1.8100000000000001 108.822 179.502 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.532 ' N ' ' NE2' ' C' ' 331' ' ' GLN . 41.4 mt -124.13 110.13 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.524 -0.735 . . . . 1.1299999999999999 109.725 -179.515 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -75.89 148.95 37.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.622 -0.673 . . . . 2.8199999999999998 109.424 179.427 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.43 132.64 5.57 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.172 -1.171 . . . . 0.45000000000000001 110.172 179.595 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.22 -43.04 16.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.126 . . . . 3.0800000000000001 109.179 179.529 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.318 -0.864 . . . . 2.54 109.614 -179.93 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.449 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 16.5 ttm-85 -63.3 -40.45 97.38 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.244 -0.91 . . . . 4.1100000000000003 109.808 -179.608 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -50.55 -54.26 23.86 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.217 -0.927 . . . . 0.56999999999999995 109.397 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -52.81 -36.98 59.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 1.6599999999999999 109.726 -179.998 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.59 -51.77 63.86 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.286 -0.883 . . . . 1.29 110.357 -179.421 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.03 -43.87 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.072 -1.018 . . . . 0.40000000000000002 109.181 -179.834 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.93 -43.23 60.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 3.8500000000000001 109.351 179.695 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.13 -51.15 70.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.416 -0.803 . . . . 1.78 109.775 -179.771 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.31 -39.06 85.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 1.1699999999999999 108.718 179.692 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.1 -55.39 35.71 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.535 -0.728 . . . . 1.2 109.68 179.67 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.28 -35.03 79.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.373 -0.83 . . . . 2.1200000000000001 110.081 -179.614 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -55.27 37.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 110.19 -179.465 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.95 -38.98 87.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.306 -0.871 . . . . 1.1399999999999999 109.557 -179.596 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.9 -39.69 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 108.716 179.211 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.42 -47.03 80.68 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.591 -0.892 . . . . 1.3799999999999999 108.591 179.612 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.81 -45.76 91.33 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.849 0.833 . . . . 2.6800000000000002 108.862 179.362 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.86 -31.08 59.24 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.241 0.543 . . . . 1.3400000000000001 109.807 -179.885 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.55 84.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.302 -0.873 . . . . 1.3 109.451 -179.905 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.41 -2.96 51.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.342 -0.849 . . . . 1.8 109.713 -179.893 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.87 -82.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.18 -0.95 . . . . 1.47 109.585 -179.934 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.57 84.25 0.02 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.646 -1.381 . . . . 1.6599999999999999 109.646 -179.905 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' C' ' 355' ' ' ALA . 0.3 OUTLIER -85.83 121.87 29.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.285 -1.127 . . . . 4.7800000000000002 109.618 -179.914 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.432 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 3.4 mt-10 -52.92 -52.25 66.88 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.229 -0.919 . . . . 6.1900000000000004 110.362 179.986 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 5.6 Cg_exo -59.02 156.83 31.93 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 120.674 0.916 . . . . 6.1799999999999997 109.95 -179.597 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 117.887 -1.507 . . . . 6.9000000000000004 109.521 -179.996 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.43 -0.582 . . . . 7.6900000000000004 109.43 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' D' ' 321' ' ' LYS . 57.8 mttp 52.82 177.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 7.4500000000000002 109.767 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' D' ' 320' ' ' LYS . 34.4 tttp 62.32 129.81 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.669 -0.644 . . . . 6.8399999999999999 109.291 179.932 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.61 -172.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 120.679 0.919 . . . . 5.1200000000000001 109.996 179.767 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.64 108.71 14.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 4.6600000000000001 109.402 179.913 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.06 -101.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 2.46 109.739 -179.954 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.1 150.1 49.85 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.841 -1.304 . . . . 1.0800000000000001 109.841 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.81 133.9 56.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.482 -1.01 . . . . 1.6699999999999999 109.591 179.905 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 31.3 m-85 -95.22 151.08 19.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 1.01 109.366 179.877 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.34 138.57 33.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.158 -0.964 . . . . 0.63 109.367 179.522 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.24 165.83 11.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.494 -0.754 . . . . 1.1299999999999999 109.105 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.54 133.57 17.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.015 -1.053 . . . . 1.1000000000000001 109.889 -179.635 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' D' ' 332' ' ' ILE . 1.4 tm0? -84.51 126.91 33.72 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.344 -0.847 . . . . 1.3700000000000001 108.778 179.525 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.544 ' N ' ' NE2' ' D' ' 331' ' ' GLN . 41.6 mt -124.18 110.09 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.568 -0.707 . . . . 1.1499999999999999 109.777 -179.535 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.83 148.97 37.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.601 -0.687 . . . . 2.77 109.405 179.477 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.181 -1.168 . . . . 0.42999999999999999 110.181 179.561 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.19 -43.13 16.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -1.066 . . . . 3.1200000000000001 109.147 179.58 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.45 -46.95 87.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.646 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 16.7 ttm-85 -63.34 -40.33 97.0 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 3.5 109.795 -179.542 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -50.57 -54.28 23.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.3 -0.875 . . . . 0.5 109.386 179.982 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -52.73 -37.03 58.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.6899999999999999 109.781 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.56 -51.84 63.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.249 -0.907 . . . . 1.1399999999999999 110.388 -179.4 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.87 -43.99 94.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.122 -0.986 . . . . 0.32000000000000001 109.169 -179.922 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.9 -43.3 59.75 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.19 -0.944 . . . . 2.96 109.351 179.785 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.08 -51.17 70.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 1.75 109.754 -179.798 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.31 -39.09 85.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.146 -0.971 . . . . 1.0800000000000001 108.652 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.13 -55.33 36.36 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.515 -0.74 . . . . 1.22 109.657 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -0.808 . . . . 1.73 110.06 -179.638 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -55.3 36.84 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 110.168 -179.466 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.88 -38.98 87.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.1100000000000001 109.625 -179.582 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -60.05 -39.55 86.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.9099999999999999 108.743 179.233 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.53 -47.23 79.59 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.558 -0.904 . . . . 1.1699999999999999 108.558 179.535 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.62 -45.61 91.45 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.953 0.883 . . . . 2.1499999999999999 108.789 179.498 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.09 -31.02 60.88 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.154 0.502 . . . . 1.4399999999999999 109.695 -179.78 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 1.3 109.525 179.961 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.38 -3.05 51.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.324 -0.86 . . . . 1.3999999999999999 109.74 -179.954 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.83 -82.38 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 1.6000000000000001 109.601 -179.935 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.51 84.2 0.02 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.618 -1.393 . . . . 1.5 109.618 -179.898 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' D' ' 357' ' ' LYS . 0.3 OUTLIER -85.94 121.95 29.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -1.151 . . . . 4.5499999999999998 109.556 -179.865 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' D' ' 359' ' ' PRO . 3.4 mt-10 -52.96 -52.19 67.55 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 5.6699999999999999 110.422 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' D' ' 358' ' ' GLU . 5.6 Cg_exo -58.95 156.79 31.77 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 120.759 0.973 . . . . 6.1200000000000001 110.007 -179.676 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.935 -1.48 . . . . 7.2699999999999996 109.436 179.994 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.506 -0.553 . . . . 7.6600000000000001 109.506 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.46 -82.2 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 7.5099999999999998 109.743 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 319' ' ' LYS . 21.6 mtpp 51.99 68.32 3.29 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 6.8099999999999996 109.74 -179.781 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.3 Cg_endo -64.91 6.77 0.32 Allowed 'Trans proline' 0 C--N 1.317 -1.079 0 C-N-CA 121.521 1.48 . . . . 5.1500000000000004 110.15 -179.833 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.5 mt -80.8 30.86 0.31 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 4.7000000000000002 109.377 -179.935 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' A' ' 322' ' ' PRO . 15.0 m-20 -78.0 -161.75 0.28 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.602 -0.686 . . . . 2.48 109.673 -179.744 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.88 149.65 49.58 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.773 -1.331 . . . . 1.0800000000000001 109.773 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.53 142.55 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -1.068 . . . . 1.7 109.525 179.935 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 37.0 m-85 -95.15 148.7 22.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.187 -0.946 . . . . 1.04 109.72 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.82 137.72 33.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 109.091 179.355 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.64 162.94 13.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.387 -0.82 . . . . 1.1399999999999999 108.905 179.832 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -149.13 132.08 16.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.089 -1.007 . . . . 1.0900000000000001 109.922 -179.364 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -84.18 125.51 32.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.975 179.436 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.97 116.3 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.599 -0.688 . . . . 1.1499999999999999 109.492 -179.663 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.51 34.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.932 . . . . 2.79 109.922 179.902 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.73 137.67 2.42 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.518 -1.033 . . . . 0.45000000000000001 110.518 179.187 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -83.08 -46.38 12.87 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.372 -1.075 . . . . 3.1600000000000001 109.196 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.88 -45.7 85.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.135 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.24 -43.92 98.09 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.334 -0.854 . . . . 3.54 109.109 179.69 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.25 -58.45 7.65 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.643 -0.661 . . . . 0.5 109.423 179.891 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.53 -35.48 40.81 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.277 -0.89 . . . . 1.6599999999999999 109.653 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.8 ttp -64.2 -53.71 45.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 110.163 -179.561 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -43.29 99.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.34000000000000002 108.998 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.54 -42.06 61.53 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.261 -0.899 . . . . 2.9399999999999999 109.328 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -60.68 -46.1 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 1.74 109.702 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.12 -45.02 96.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 109.279 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.76 75.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 1.22 109.247 179.769 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.2 -36.95 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 1.72 109.427 179.904 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.6 73.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.857 . . . . 1.0700000000000001 109.678 -179.791 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.74 -43.02 99.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.428 -179.953 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.73 -39.48 80.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.907 . . . . 1.9099999999999999 109.196 179.789 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.65 -42.38 98.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.523 -0.917 . . . . 1.1499999999999999 108.523 179.652 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -58.71 -52.14 66.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.1400000000000001 108.54 179.378 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.55 -29.1 64.11 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.837 -0.539 . . . . 1.4299999999999999 109.574 179.853 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.71 71.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 1.3 109.405 -179.747 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -83.54 -57.54 3.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.864 . . . . 1.4199999999999999 109.538 179.718 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.02 2.93 3.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.233 -0.917 . . . . 1.5800000000000001 109.847 -179.768 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.15 90.7 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.85 -1.3 . . . . 1.54 109.85 -179.762 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.52 122.32 30.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.19 -1.182 . . . . 4.5499999999999998 109.614 -179.892 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.54 112.18 2.45 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 5.71 109.369 -179.942 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.68 138.45 75.0 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.579 0.853 . . . . 6.0899999999999999 109.912 -179.873 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.013 -1.437 . . . . 7.2400000000000002 109.566 179.91 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.312 0.577 . . . . 7.6699999999999999 109.511 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.43 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.321 -0.862 . . . . 7.46 109.73 -179.865 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' B' ' 323' ' ' LEU . 21.7 mtpp 51.83 68.48 3.18 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.101 -0.999 . . . . 6.79 109.679 -179.777 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.3 Cg_endo -65.08 6.99 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.462 1.441 . . . . 5.1500000000000004 110.1 -179.88 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.5 mt -80.95 30.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 4.6600000000000001 109.321 -179.931 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' B' ' 322' ' ' PRO . 15.0 m-20 -78.07 -161.81 0.29 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.621 -0.674 . . . . 2.4700000000000002 109.638 -179.72 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 149.69 49.8 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.84 -1.304 . . . . 1.0600000000000001 109.84 -179.707 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.62 142.59 55.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -1.1 . . . . 1.6100000000000001 109.485 179.949 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 37.5 m-85 -95.19 148.68 22.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.22 -0.925 . . . . 0.96999999999999997 109.762 179.957 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.77 137.67 33.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.35 -0.844 . . . . 0.59999999999999998 109.092 179.4 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.61 162.86 13.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.383 -0.823 . . . . 1.1000000000000001 108.997 179.756 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 45.7 tp -149.09 132.12 16.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 1.1000000000000001 109.909 -179.338 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.27 125.58 32.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.395 -0.815 . . . . 1.3600000000000001 108.96 179.477 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.93 116.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.584 -0.698 . . . . 1.1699999999999999 109.545 -179.622 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -76.42 155.37 34.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.229 -0.919 . . . . 2.79 109.997 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.81 137.75 2.48 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.493 -1.043 . . . . 0.47999999999999998 110.493 179.238 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.19 -46.34 12.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -1.095 . . . . 3.2200000000000002 109.181 179.508 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 -45.8 85.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.291 -0.88 . . . . 2.21 109.127 179.844 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -61.16 -43.94 98.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.289 -0.882 . . . . 3.5499999999999998 109.131 179.705 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.24 -58.51 7.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.552 -0.718 . . . . 0.52000000000000002 109.415 179.889 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.37 -35.57 39.26 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.338 -0.851 . . . . 1.6799999999999999 109.63 -179.743 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.2 -53.8 43.56 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.051 -179.423 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.28 -43.35 99.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 0.33000000000000002 109.036 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.45 -42.12 61.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.874 . . . . 3.02 109.388 179.634 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 15.8 tp10 -60.65 -46.16 91.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.75 109.708 -179.912 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.07 -44.98 96.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.302 -0.874 . . . . 1.0700000000000001 109.356 -179.986 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.48 -49.85 74.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.207 -0.933 . . . . 1.21 109.181 179.741 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.06 -36.94 83.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 109.521 179.884 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.7 -50.53 73.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.361 -0.837 . . . . 1.0600000000000001 109.713 -179.786 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.69 -43.11 99.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.895 . . . . 1.0800000000000001 109.43 -179.995 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.62 -39.54 80.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.162 179.759 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.54 -42.3 98.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.484 -0.932 . . . . 1.1399999999999999 108.484 179.666 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -52.24 66.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 2.1899999999999999 108.598 179.359 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.51 -29.07 64.01 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.186 0.517 . . . . 1.4299999999999999 109.617 179.786 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.79 71.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 1.3100000000000001 109.477 -179.745 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -83.51 -57.55 3.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.229 -0.92 . . . . 1.3999999999999999 109.568 179.716 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.99 2.93 3.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.82 -179.804 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.49 -3.12 90.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.827 -1.309 . . . . 1.53 109.827 -179.779 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.49 122.38 30.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -1.201 . . . . 4.5800000000000001 109.597 -179.919 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.57 112.17 2.45 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.837 . . . . 5.6799999999999997 109.38 -179.962 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.62 138.42 75.18 Favored 'Trans proline' 0 C--O 1.215 -0.649 0 C-N-CA 120.679 0.92 . . . . 6.0499999999999998 109.884 -179.874 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.544 -1.423 . . . . 7.2000000000000002 109.544 179.874 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' C' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.262 0.553 . . . . 9.2200000000000006 109.509 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.35 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.372 -0.83 . . . . 8.5099999999999998 109.806 -179.897 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' C' ' 323' ' ' LEU . 21.6 mtpp 52.03 68.38 3.23 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.116 -0.99 . . . . 7.4199999999999999 109.652 -179.843 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.3 Cg_endo -65.03 6.93 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 121.481 1.454 . . . . 5.0499999999999998 110.159 -179.9 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.5 mt -80.86 30.8 0.31 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.157 -0.964 . . . . 5.1399999999999997 109.369 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' C' ' 322' ' ' PRO . 15.1 m-20 -77.99 -161.81 0.28 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.622 -0.674 . . . . 2.8500000000000001 109.67 -179.731 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 149.64 49.71 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.808 -1.317 . . . . 1.27 109.808 -179.716 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.56 142.5 55.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.437 -1.037 . . . . 2.1099999999999999 109.546 179.924 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.4 m-85 -95.18 148.64 22.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.198 -0.939 . . . . 1.01 109.792 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.74 137.67 33.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.57999999999999996 109.105 179.412 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.9 p -96.62 162.74 13.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.391 -0.818 . . . . 1.1599999999999999 108.963 179.814 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -148.91 132.23 16.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.048 -1.032 . . . . 1.1699999999999999 109.923 -179.324 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.36 125.58 32.43 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.899 -0.778 . . . . 1.8100000000000001 108.899 179.507 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -123.91 116.31 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.597 -0.69 . . . . 1.1299999999999999 109.539 -179.675 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.51 155.49 33.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.219 -0.926 . . . . 2.8199999999999998 109.896 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.82 137.66 2.46 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.446 -1.062 . . . . 0.45000000000000001 110.446 179.164 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.17 -46.31 12.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.408 -1.054 . . . . 3.0800000000000001 109.226 179.528 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.8 -45.7 85.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.909 . . . . 2.54 109.187 179.755 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.25 -44.01 97.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 4.1100000000000003 109.091 179.721 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.22 -58.43 7.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.586 -0.696 . . . . 0.56999999999999995 109.425 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.43 -35.58 40.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.848 . . . . 1.6599999999999999 109.607 -179.742 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.17 -53.8 43.65 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -0.958 . . . . 1.29 110.057 -179.463 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.35 -43.28 99.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.976 . . . . 0.40000000000000002 108.985 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.59 -42.01 61.6 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.292 -0.88 . . . . 3.8500000000000001 109.386 179.692 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.502 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 15.6 tp10 -60.65 -46.19 91.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.29 -0.881 . . . . 1.78 109.641 -179.965 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.16 -45.04 96.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 1.1699999999999999 109.26 -179.876 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.81 75.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 1.2 109.184 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.04 -37.02 83.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.52 179.886 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.5 73.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 1.0700000000000001 109.731 -179.76 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.79 -43.03 99.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 109.361 -179.954 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.67 -39.47 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.228 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.52 -42.33 98.45 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.486 -0.931 . . . . 1.3799999999999999 108.486 179.629 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -52.27 66.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 2.6800000000000002 108.598 179.366 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.46 -29.08 63.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.856 -0.528 . . . . 1.3400000000000001 109.619 179.781 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.73 71.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.3 109.406 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -83.56 -57.59 3.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.276 -0.89 . . . . 1.8 109.491 179.733 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 2.79 3.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 1.47 109.806 -179.755 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.4 -3.13 90.71 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.857 -1.297 . . . . 1.6599999999999999 109.857 -179.735 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.46 122.38 30.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.084 -1.245 . . . . 4.7800000000000002 109.631 -179.95 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.6 112.14 2.44 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.34 -0.85 . . . . 6.1900000000000004 109.333 -179.919 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.59 138.51 75.87 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 120.639 0.893 . . . . 6.1799999999999997 109.844 -179.885 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.958 -1.468 . . . . 6.9000000000000004 109.589 179.847 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' D' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.273 0.559 . . . . 7.6900000000000004 109.5 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 57.42 -82.1 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 7.4500000000000002 109.777 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' D' ' 323' ' ' LEU . 21.7 mtpp 51.91 68.43 3.21 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 6.8399999999999999 109.673 -179.812 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.3 Cg_endo -65.05 6.92 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.453 1.435 . . . . 5.1200000000000001 110.095 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.6 mt -80.86 30.82 0.31 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 4.6600000000000001 109.298 -179.919 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' D' ' 322' ' ' PRO . 15.1 m-20 -78.03 -161.83 0.29 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.683 -0.635 . . . . 2.46 109.615 -179.729 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 149.57 49.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.84 -1.304 . . . . 1.0800000000000001 109.84 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.53 142.59 55.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -1.055 . . . . 1.6699999999999999 109.554 179.915 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 37.4 m-85 -95.24 148.63 22.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.891 . . . . 1.01 109.811 179.947 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.77 137.63 33.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.34 -0.85 . . . . 0.63 109.097 179.445 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 47.1 p -96.53 162.82 13.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.363 -0.835 . . . . 1.1299999999999999 108.922 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 45.6 tp -148.99 132.23 16.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.048 -1.032 . . . . 1.1000000000000001 109.927 -179.396 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.33 125.61 32.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.893 179.497 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.04 116.24 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.527 -0.733 . . . . 1.1499999999999999 109.512 -179.645 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.46 34.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 2.77 109.913 179.919 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.76 137.66 2.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.476 -1.05 . . . . 0.42999999999999999 110.476 179.135 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.05 -46.34 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -1.075 . . . . 3.1200000000000001 109.232 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.84 -45.73 85.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.138 179.841 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.397 -0.815 . . . . 3.5 109.099 179.758 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.17 -58.42 7.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.504 -0.748 . . . . 0.5 109.467 179.876 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.56 -35.5 41.29 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.355 -0.841 . . . . 1.6899999999999999 109.621 -179.737 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.14 -53.84 43.16 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.287 -0.883 . . . . 1.1399999999999999 110.093 -179.514 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.29 -43.28 99.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.32000000000000001 109.055 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.49 -42.07 61.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 2.96 109.426 179.653 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -60.69 -46.17 91.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 1.75 109.634 -179.906 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.8 mt -61.09 -44.99 96.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.234 -0.917 . . . . 1.0800000000000001 109.302 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -57.53 -49.74 75.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.166 -0.959 . . . . 1.22 109.179 179.794 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.1 -36.92 83.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.905 . . . . 1.73 109.517 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.52 73.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 109.695 -179.733 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.76 -43.05 99.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.886 . . . . 1.1100000000000001 109.358 -179.971 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.74 -39.45 80.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.168 179.849 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.69 -42.3 98.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 1.1699999999999999 108.527 179.659 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.502 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -58.83 -51.99 67.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.018 -1.051 . . . . 2.1499999999999999 108.605 179.403 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.6 -29.14 64.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.27 0.557 . . . . 1.4399999999999999 109.615 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.66 71.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.195 -0.941 . . . . 1.3 109.384 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -83.57 -57.63 3.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 1.3999999999999999 109.491 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 2.85 3.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 1.6000000000000001 109.729 -179.723 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.36 -3.1 90.71 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.918 -1.273 . . . . 1.5 109.918 -179.814 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.59 122.38 30.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.092 -1.24 . . . . 4.5499999999999998 109.57 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.53 112.09 2.39 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.822 . . . . 5.6699999999999999 109.327 -179.9 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.64 138.41 75.04 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.591 0.861 . . . . 6.1200000000000001 109.941 -179.895 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.516 -1.433 . . . . 7.2699999999999996 109.516 179.955 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.442 -0.577 . . . . 7.6600000000000001 109.442 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 74.9 tttt 60.64 151.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.439 -0.788 . . . . 7.5099999999999998 109.717 179.959 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.39 63.62 5.56 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 6.8099999999999996 110.077 -179.708 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.14 131.6 29.1 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 121.56 1.507 . . . . 5.1500000000000004 109.626 179.6 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.23 75.89 9.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.065 -1.022 . . . . 4.7000000000000002 109.597 179.76 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.9 -150.57 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.651 -0.656 . . . . 2.48 109.48 179.722 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.95 171.9 41.28 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.672 -1.371 . . . . 1.0800000000000001 109.672 179.662 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -59.94 137.23 58.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -1.161 . . . . 1.7 109.796 179.918 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.23 156.43 16.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.303 -0.873 . . . . 1.04 109.254 179.665 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.33 -170.08 2.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.36 -0.837 . . . . 0.65000000000000002 109.23 179.624 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.2 p -153.51 147.11 25.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.151 -0.968 . . . . 1.1399999999999999 109.129 -179.961 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.2 136.72 33.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.438 -0.789 . . . . 1.0900000000000001 109.804 -179.048 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.67 33.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.701 -0.625 . . . . 1.3700000000000001 109.345 179.185 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -123.35 116.5 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.656 -0.868 . . . . 1.1499999999999999 108.656 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -73.75 152.8 40.25 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.32 -0.863 . . . . 2.79 109.918 -179.577 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.46 141.07 2.67 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.095 -1.202 . . . . 0.45000000000000001 110.095 179.392 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.4 -48.62 11.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.378 -1.072 . . . . 3.1600000000000001 109.281 179.688 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.84 -37.56 74.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 109.047 179.841 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.96 -42.98 99.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.218 -0.926 . . . . 3.54 108.844 179.362 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.1 -56.05 25.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.552 -0.717 . . . . 0.5 109.6 179.697 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.89 -38.46 56.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.863 . . . . 1.6599999999999999 109.756 -179.768 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.76 -53.07 59.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 110.087 -179.418 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.24 -45.79 93.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.147 -0.971 . . . . 0.34000000000000002 108.958 -179.934 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.32 -41.87 60.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.295 -0.878 . . . . 2.9399999999999999 109.352 179.788 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.96 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 1.74 109.848 -179.597 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.09 -40.4 93.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.207 -0.933 . . . . 1.0700000000000001 108.833 179.833 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.03 -53.73 55.07 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 1.22 109.432 179.488 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.17 -34.05 75.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.375 -0.828 . . . . 1.72 109.382 179.993 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.38 80.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.214 -179.985 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.51 -46.39 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.383 -0.823 . . . . 1.0800000000000001 109.353 179.588 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.1 -35.78 74.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.53 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.51 -51.7 61.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 1.1499999999999999 109.569 -179.801 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.79 -43.93 97.52 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.433 -0.792 . . . . 2.1400000000000001 109.063 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.59 -33.43 66.21 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.68 179.885 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -51.29 52.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 1.3 109.815 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.69 1.81 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 1.4199999999999999 109.782 -179.77 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.535 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.15 -81.09 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.215 -0.928 . . . . 1.5800000000000001 109.994 -179.742 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.64 9.27 0.64 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.209 -1.156 . . . . 1.54 110.209 -179.448 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 355' ' ' ALA . 78.9 tttt -86.14 49.42 1.78 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.29 . . . . 4.5499999999999998 109.132 179.91 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.82 155.54 1.95 Allowed Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.198 -0.939 . . . . 5.71 109.39 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.73 -81.09 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.1 1.2 . . . . 6.0899999999999999 110.066 179.248 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 CA-C-O 117.916 -1.491 . . . . 7.2400000000000002 109.684 -179.684 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.401 -0.592 . . . . 7.6699999999999999 109.401 . . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 319' ' ' LYS . 75.0 tttt 60.65 151.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 7.46 109.666 179.901 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.46 63.49 5.61 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.442 -0.786 . . . . 6.79 110.056 -179.778 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.12 131.59 29.11 Favored 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.589 1.526 . . . . 5.1500000000000004 109.597 179.626 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.24 75.89 9.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.095 -1.003 . . . . 4.6600000000000001 109.507 179.861 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.88 -150.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.607 -0.683 . . . . 2.4700000000000002 109.447 179.718 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 171.99 42.29 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.641 -1.384 . . . . 1.0600000000000001 109.641 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -59.96 137.1 58.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 1.6100000000000001 109.749 179.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.14 156.47 16.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.328 -0.857 . . . . 0.96999999999999997 109.323 179.569 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.33 -170.1 2.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.413 -0.804 . . . . 0.59999999999999998 109.218 179.609 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.6 p -153.57 147.04 24.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.301 -0.874 . . . . 1.1000000000000001 109.136 -179.868 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.24 136.73 33.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 1.1000000000000001 109.751 -179.037 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.79 33.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.634 -0.666 . . . . 1.3600000000000001 109.287 179.197 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.42 116.5 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 108.672 -0.862 . . . . 1.1699999999999999 108.672 179.469 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.75 152.78 40.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.383 -0.823 . . . . 2.79 109.94 -179.581 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.52 141.04 2.69 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.134 -1.186 . . . . 0.47999999999999998 110.134 179.423 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -81.36 -48.62 11.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -1.057 . . . . 3.2200000000000002 109.257 179.712 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.81 -37.57 74.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.21 109.115 179.837 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -62.0 -42.92 99.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.203 -0.935 . . . . 3.5499999999999998 108.835 179.45 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.08 -56.03 25.79 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.606 -0.684 . . . . 0.52000000000000002 109.622 179.659 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.81 -38.43 55.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.786 . . . . 1.6799999999999999 109.869 -179.847 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.82 -53.07 59.97 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.174 -0.954 . . . . 1.1499999999999999 110.081 -179.439 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.27 -45.83 92.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.204 -0.935 . . . . 0.33000000000000002 108.949 -179.917 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.26 -41.84 60.67 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.279 -0.888 . . . . 3.02 109.47 179.731 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.94 -53.48 57.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.213 -0.93 . . . . 1.75 109.919 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.1 -40.42 93.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 108.848 179.746 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.05 -53.74 54.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.401 -0.812 . . . . 1.21 109.412 179.534 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -61.97 -34.3 75.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 1.6899999999999999 109.423 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.32 80.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 1.0600000000000001 109.231 -179.938 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.69 -46.16 89.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.358 -0.839 . . . . 1.0800000000000001 109.37 179.623 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.24 -35.77 74.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.9299999999999999 109.574 179.939 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.5 -51.75 61.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.498 -179.81 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.75 -43.95 97.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.325 -0.859 . . . . 2.1899999999999999 109.061 -179.951 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.62 -33.28 66.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.726 179.881 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.22 51.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.766 -179.681 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.75 1.81 28.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.245 -0.909 . . . . 1.3999999999999999 109.723 -179.758 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.23 -81.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.146 -0.971 . . . . 1.5700000000000001 109.904 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.57 9.3 0.62 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.226 -1.15 . . . . 1.53 110.226 -179.443 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' B' ' 355' ' ' ALA . 78.9 tttt -86.23 49.46 1.79 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.004 -1.292 . . . . 4.5800000000000001 109.2 179.916 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.84 155.55 1.96 Allowed Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.281 -0.887 . . . . 5.6799999999999997 109.41 -179.462 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.76 -80.99 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 121.087 1.191 . . . . 6.0499999999999998 110.084 179.269 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.95 -1.472 . . . . 7.2000000000000002 109.712 -179.751 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' C' ' 320' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.385 -0.598 . . . . 9.2200000000000006 109.385 . . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' C' ' 319' ' ' LYS . 74.9 tttt 60.57 151.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.368 -0.833 . . . . 8.5099999999999998 109.712 179.943 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 56.44 63.58 5.55 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 7.4199999999999999 110.05 -179.739 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.07 131.6 29.23 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 121.537 1.492 . . . . 5.0499999999999998 109.607 179.63 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.25 75.83 9.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 5.1399999999999997 109.523 179.776 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.82 -150.49 0.12 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.643 -0.661 . . . . 2.8500000000000001 109.494 179.654 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.04 172.1 41.21 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.661 -1.375 . . . . 1.27 109.661 179.733 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -60.04 137.19 58.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -1.151 . . . . 2.1099999999999999 109.746 179.978 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.2 156.49 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.266 -0.896 . . . . 1.01 109.324 179.566 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.43 -170.07 2.66 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.451 -0.78 . . . . 0.57999999999999996 109.202 179.634 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.8 p -153.56 147.15 25.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -0.885 . . . . 1.1599999999999999 109.139 -179.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.4 136.67 33.33 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.406 -0.809 . . . . 1.1699999999999999 109.736 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.07 132.64 34.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.7 -0.625 . . . . 1.8100000000000001 109.45 179.133 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.4 116.51 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 N-CA-C 108.672 -0.862 . . . . 1.1299999999999999 108.672 179.493 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.77 152.78 40.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.391 -0.818 . . . . 2.8199999999999998 109.954 -179.579 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.03 2.68 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.091 -1.204 . . . . 0.45000000000000001 110.091 179.361 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -81.42 -48.49 11.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.308 -1.113 . . . . 3.0800000000000001 109.281 179.735 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -37.5 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 2.54 109.121 179.831 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.225 -0.922 . . . . 4.1100000000000003 108.88 179.381 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -56.11 -56.02 25.98 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.526 -0.734 . . . . 0.56999999999999995 109.629 179.616 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -51.79 -38.53 55.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.785 -179.869 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.84 -53.01 60.82 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.202 -0.936 . . . . 1.29 110.084 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.26 -45.83 92.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.121 -0.987 . . . . 0.40000000000000002 108.952 -179.996 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -51.3 -41.92 60.8 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.24 -0.912 . . . . 3.8500000000000001 109.389 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.91 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.78 109.827 -179.567 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.117 -0.989 . . . . 1.1699999999999999 108.855 179.791 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.0 -53.75 54.88 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.486 -0.758 . . . . 1.2 109.393 179.495 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.1 -34.28 76.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.454 -0.779 . . . . 2.1200000000000001 109.394 -179.954 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.23 80.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.833 . . . . 1.0700000000000001 109.25 -179.926 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.66 -46.35 88.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.367 -0.833 . . . . 1.1399999999999999 109.389 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.12 -35.7 73.92 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.361 -0.837 . . . . 2.0899999999999999 109.538 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.56 -51.59 62.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.847 . . . . 1.3799999999999999 109.54 -179.748 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.86 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.286 -0.884 . . . . 2.6800000000000002 109.034 -179.96 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.65 -33.32 66.22 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.525 -0.735 . . . . 1.3400000000000001 109.664 179.898 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -51.16 52.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 1.3 109.839 -179.67 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.75 1.76 28.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.341 -0.849 . . . . 1.8 109.756 -179.856 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.15 -81.14 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.952 . . . . 1.47 109.952 -179.697 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.54 9.36 0.61 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.207 -1.157 . . . . 1.6599999999999999 110.207 -179.431 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' C' ' 355' ' ' ALA . 78.9 tttt -86.3 49.4 1.78 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.294 . . . . 4.7800000000000002 109.146 179.949 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.76 155.52 1.93 Allowed Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.2 -0.938 . . . . 6.1900000000000004 109.393 -179.459 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.66 -80.98 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.058 1.172 . . . . 6.1799999999999997 110.119 179.209 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 117.956 -1.469 . . . . 6.9000000000000004 109.693 -179.691 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' D' ' 320' ' ' LYS . 97.0 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.49 -0.559 . . . . 7.6900000000000004 109.49 . . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' D' ' 319' ' ' LYS . 74.9 tttt 60.61 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 7.4500000000000002 109.679 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.38 63.52 5.64 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 6.8399999999999999 110.054 -179.72 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.03 131.59 29.27 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 C-N-CA 121.579 1.52 . . . . 5.1200000000000001 109.626 179.589 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.25 75.8 9.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.039 -1.038 . . . . 4.6600000000000001 109.531 179.846 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -84.79 -150.52 0.12 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.672 -0.642 . . . . 2.46 109.525 179.668 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.1 172.07 41.47 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.635 -1.386 . . . . 1.0800000000000001 109.635 179.767 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -60.11 137.14 58.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -1.116 . . . . 1.6699999999999999 109.707 -179.949 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.11 156.56 16.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.286 -0.884 . . . . 1.01 109.326 179.618 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.53 -170.15 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.368 -0.832 . . . . 0.63 109.221 179.686 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.4 p -153.54 147.09 25.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.236 -0.915 . . . . 1.1299999999999999 109.167 -179.855 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.3 136.69 33.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.508 -0.745 . . . . 1.1000000000000001 109.83 -179.057 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.75 33.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.695 -0.628 . . . . 1.3700000000000001 109.343 179.199 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.36 116.5 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 108.652 -0.87 . . . . 1.1499999999999999 108.652 179.528 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.83 152.78 40.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.481 -0.762 . . . . 2.77 109.896 -179.544 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.12 2.7 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.06 -1.216 . . . . 0.42999999999999999 110.06 179.412 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.52 -48.43 11.84 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -1.078 . . . . 3.1200000000000001 109.357 179.678 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.93 -37.56 74.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 109.027 179.793 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.226 -0.922 . . . . 3.5 108.872 179.385 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.04 -55.95 26.66 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.551 -0.718 . . . . 0.5 109.699 179.645 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.9 -38.42 56.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.524 -0.735 . . . . 1.6899999999999999 109.802 -179.864 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.91 -52.95 61.09 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.207 -0.933 . . . . 1.1399999999999999 110.093 -179.361 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 108.993 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.34 -41.82 60.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.313 -0.867 . . . . 2.96 109.424 179.807 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.94 -53.55 56.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.229 -0.92 . . . . 1.75 109.884 -179.636 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.0 -40.47 93.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.162 -0.962 . . . . 1.0800000000000001 108.813 179.761 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.99 -53.82 54.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.499 -0.75 . . . . 1.22 109.379 179.592 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.07 -34.13 75.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 1.73 109.419 -179.977 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.23 -48.27 80.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.238 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -46.5 88.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 1.1100000000000001 109.361 179.537 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.99 -35.76 73.76 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.321 -0.862 . . . . 1.9099999999999999 109.528 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.57 -51.61 61.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 1.1699999999999999 109.509 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.331 -0.856 . . . . 2.1499999999999999 109.054 -179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -56.67 -33.3 66.25 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.522 -0.736 . . . . 1.4399999999999999 109.726 179.866 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.21 52.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 1.3 109.78 -179.661 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.81 1.94 28.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 1.3999999999999999 109.732 -179.802 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.3 -81.1 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 1.6000000000000001 109.917 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.52 9.31 0.61 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.167 -1.173 . . . . 1.5 110.167 -179.451 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' D' ' 355' ' ' ALA . 78.9 tttt -86.24 49.43 1.79 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.286 . . . . 4.5499999999999998 109.158 179.944 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.71 155.52 1.9 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 5.6699999999999999 109.464 -179.504 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.73 -80.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 121.085 1.19 . . . . 6.1200000000000001 110.094 179.274 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 CA-C-O 117.936 -1.48 . . . . 7.2699999999999996 109.702 -179.741 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.265 0.555 . . . . 7.6600000000000001 109.524 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.1 167.13 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 7.5099999999999998 109.422 179.891 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 323' ' ' LEU . 46.6 tttp 57.92 70.62 1.23 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 6.8099999999999996 109.551 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.0 Cg_endo -64.17 4.88 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 121.489 1.459 . . . . 5.1500000000000004 110.029 -179.627 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.8 mt -82.23 30.29 0.4 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.186 -0.946 . . . . 4.7000000000000002 109.193 179.722 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 322' ' ' PRO . 26.2 m-20 -78.23 -126.52 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.737 -0.602 . . . . 2.48 110.205 -179.299 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.598 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -67.5 161.2 48.74 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.121 -1.192 . . . . 1.0800000000000001 110.121 -179.216 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.1 129.58 42.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.404 -1.056 . . . . 1.7 109.674 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.287 -0.883 . . . . 1.04 109.594 179.878 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -138.99 139.65 37.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.352 -0.843 . . . . 0.65000000000000002 108.836 179.462 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.7 p -93.77 164.79 12.99 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 1.1399999999999999 109.164 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.65 14.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.156 -0.965 . . . . 1.0900000000000001 110.104 -179.243 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.15 127.25 33.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.3700000000000001 108.864 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.43 117.25 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 121.563 -0.711 . . . . 1.1499999999999999 109.76 -179.514 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.617 HH21 ' H ' ' C' ' 325' ' ' GLY . 19.2 ttt-85 -76.88 154.38 33.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 2.79 109.62 179.474 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.37 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.336 -1.106 . . . . 0.45000000000000001 110.336 179.154 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.28 -47.4 11.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -1.091 . . . . 3.1600000000000001 109.398 179.639 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.74 -42.38 93.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.958 . . . . 2.2200000000000002 109.418 179.9 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.51 -41.89 97.97 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.376 -0.828 . . . . 3.54 109.554 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.04 -55.75 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.695 . . . . 0.5 109.791 -179.884 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.02 -38.06 49.04 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.958 -179.661 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -52.6 59.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 110.695 -179.152 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.72 -43.56 97.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.34000000000000002 109.279 -179.519 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.47 -43.65 62.19 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.201 -0.937 . . . . 2.9399999999999999 109.567 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.92 -46.36 91.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 1.74 109.971 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.7 mt -61.19 -42.56 98.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.373 -179.755 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.58 -50.64 73.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.19 -0.944 . . . . 1.22 109.594 179.97 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.34 -34.88 78.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.89 . . . . 1.72 109.865 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.49 -50.43 73.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 110.073 -179.604 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.51 -43.75 98.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 1.0800000000000001 109.67 -179.719 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.55 -34.66 72.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.117 -0.989 . . . . 1.9099999999999999 109.433 179.938 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.71 -51.2 63.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 1.1499999999999999 109.314 -179.883 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.03 -42.42 94.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.895 . . . . 2.1400000000000001 109.035 179.843 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.36 -46.05 80.17 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.504 -0.748 . . . . 1.4299999999999999 109.12 179.587 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.11 65.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 1.3 109.193 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -82.27 -3.12 54.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.876 . . . . 1.4199999999999999 109.585 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.38 -88.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.964 . . . . 1.5800000000000001 109.402 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.16 83.13 0.07 OUTLIER Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.488 -1.445 . . . . 1.54 109.488 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.34 151.74 23.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.2 -1.176 . . . . 4.5499999999999998 109.657 -179.814 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -51.29 152.31 4.39 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.858 . . . . 5.71 109.19 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.4 143.76 85.62 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.02 1.147 . . . . 6.0899999999999999 109.919 179.426 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.967 -1.463 . . . . 7.2400000000000002 109.512 179.903 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.522 -0.547 . . . . 7.6699999999999999 109.522 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.08 167.19 0.06 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.348 -0.845 . . . . 7.46 109.381 179.887 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' B' ' 323' ' ' LEU . 46.5 tttp 57.9 70.55 1.25 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.299 -0.876 . . . . 6.79 109.571 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' B' ' 324' ' ' ASP . 2.0 Cg_endo -64.09 4.82 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.098 0 C-N-CA 121.557 1.505 . . . . 5.1500000000000004 110.048 -179.664 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.7 mt -82.21 30.29 0.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.258 -0.901 . . . . 4.6600000000000001 109.148 179.739 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' B' ' 322' ' ' PRO . 26.4 m-20 -78.34 -126.91 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.73 -0.606 . . . . 2.4700000000000002 110.09 -179.23 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.693 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -66.91 161.25 47.27 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.143 -1.183 . . . . 1.0600000000000001 110.143 -179.286 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.416 ' CD ' HH21 ' D' ' 335' ' ' ARG . 53.2 mt-10 -60.23 129.62 42.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.442 -1.034 . . . . 1.6100000000000001 109.699 179.948 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 32.2 m-85 -97.85 152.94 18.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.22 -0.925 . . . . 0.96999999999999997 109.625 179.928 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -138.88 139.74 38.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.283 -0.885 . . . . 0.59999999999999998 108.831 179.447 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.4 p -93.9 164.8 12.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.339 -0.851 . . . . 1.1000000000000001 109.176 -179.783 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.72 14.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 1.1000000000000001 110.129 -179.201 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.2 33.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.854 -0.795 . . . . 1.3600000000000001 108.854 179.528 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.41 117.12 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.491 -0.756 . . . . 1.1699999999999999 109.829 -179.465 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.717 HH21 ' H ' ' D' ' 325' ' ' GLY . 19.3 ttt-85 -76.66 154.38 34.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 2.79 109.607 179.508 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.94 137.24 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.386 -1.086 . . . . 0.47999999999999998 110.386 179.124 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.17 -47.45 11.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.409 179.585 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.75 -42.52 93.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.176 -0.952 . . . . 2.21 109.374 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.31 -41.91 97.79 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.415 -0.803 . . . . 3.5499999999999998 109.524 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.12 -55.7 28.16 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.493 -0.754 . . . . 0.52000000000000002 109.741 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.1 -38.06 49.55 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.198 -0.939 . . . . 1.6799999999999999 109.96 -179.642 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.8 -52.74 58.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 1.1499999999999999 110.689 -179.205 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.65 -43.52 97.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.06 -1.025 . . . . 0.33000000000000002 109.322 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.42 -43.85 62.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.251 -0.906 . . . . 3.02 109.489 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.86 -46.32 91.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.873 . . . . 1.75 110.024 -179.673 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.1 -42.57 98.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.219 -0.926 . . . . 1.0700000000000001 109.436 -179.835 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.57 -50.62 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 1.21 109.652 179.96 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.33 -34.9 78.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.185 -0.947 . . . . 1.6899999999999999 109.85 -179.817 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.32 74.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.0600000000000001 110.033 -179.51 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.63 -43.61 98.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 1.0800000000000001 109.686 -179.723 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.61 -34.6 72.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 1.9299999999999999 109.413 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.71 -51.29 63.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 1.1399999999999999 109.28 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -59.9 -42.51 94.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.21 -0.931 . . . . 2.1899999999999999 109.061 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.29 -46.09 79.91 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.108 -0.701 . . . . 1.4299999999999999 109.108 179.552 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.19 65.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.322 -0.861 . . . . 1.3100000000000001 109.201 179.788 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -82.4 -2.94 54.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 1.3999999999999999 109.596 -179.993 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.35 -88.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 1.5700000000000001 109.381 179.952 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.18 83.14 0.07 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.465 -1.454 . . . . 1.53 109.465 179.919 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.32 151.78 23.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.173 -1.193 . . . . 4.5800000000000001 109.592 -179.806 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -51.23 152.22 4.34 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.395 -0.816 . . . . 5.6799999999999997 109.193 -179.852 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.31 143.74 84.85 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 121.109 1.206 . . . . 6.0499999999999998 109.868 179.378 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.505 -1.438 . . . . 7.2000000000000002 109.505 179.805 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.568 -0.53 . . . . 9.2200000000000006 109.568 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.1 167.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.35 -0.844 . . . . 8.5099999999999998 109.331 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' C' ' 323' ' ' LEU . 46.6 tttp 57.89 70.54 1.25 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.851 . . . . 7.4199999999999999 109.601 179.97 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' C' ' 324' ' ' ASP . 2.0 Cg_endo -64.1 4.81 0.47 Allowed 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.591 1.527 . . . . 5.0499999999999998 109.991 -179.595 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.8 mt -82.18 30.24 0.4 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 5.1399999999999997 109.195 179.729 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' C' ' 322' ' ' PRO . 26.2 m-20 -78.25 -126.67 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.72 -0.612 . . . . 2.8500000000000001 110.204 -179.309 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.617 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -67.19 161.2 48.05 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.159 -1.176 . . . . 1.27 110.159 -179.282 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.11 129.6 42.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.425 -1.044 . . . . 2.1099999999999999 109.7 -179.996 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.345 -0.847 . . . . 1.01 109.639 179.874 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.94 139.65 38.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.57999999999999996 108.837 179.5 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.87 164.84 12.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.293 -0.879 . . . . 1.1599999999999999 109.219 -179.824 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.22 130.61 14.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 1.1699999999999999 110.026 -179.117 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.11 127.22 33.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 1.8100000000000001 108.874 179.513 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.45 117.2 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 O-C-N 121.551 -0.718 . . . . 1.1299999999999999 109.753 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.598 HH21 ' H ' ' A' ' 325' ' ' GLY . 19.3 ttt-85 -76.72 154.34 34.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.827 . . . . 2.8199999999999998 109.641 179.44 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.98 137.17 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.364 -1.094 . . . . 0.45000000000000001 110.364 179.126 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.22 -47.43 11.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -1.096 . . . . 3.0800000000000001 109.379 179.657 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.46 93.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.166 -0.958 . . . . 2.54 109.383 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.353 -0.842 . . . . 4.1100000000000003 109.515 -179.946 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.02 -55.74 27.52 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.473 -0.767 . . . . 0.56999999999999995 109.745 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.06 -38.05 49.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 109.923 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.89 -52.75 58.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.253 -0.904 . . . . 1.29 110.64 -179.102 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.61 -43.66 97.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.40000000000000002 109.239 -179.444 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.4 -43.74 62.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.228 -0.92 . . . . 3.8500000000000001 109.554 179.763 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.42 90.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 1.78 109.969 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -42.51 98.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.141 -0.974 . . . . 1.1699999999999999 109.431 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.62 -50.61 73.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 1.2 109.572 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.33 -34.93 78.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 2.1200000000000001 109.877 -179.815 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.36 74.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 1.0700000000000001 110.088 -179.554 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.55 -43.59 98.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -0.88 . . . . 1.1399999999999999 109.683 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -59.7 -34.53 73.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.213 -0.93 . . . . 2.0899999999999999 109.473 179.987 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.71 -51.28 63.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.383 -0.823 . . . . 1.3799999999999999 109.266 -179.904 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.02 -42.46 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 2.6800000000000002 109.059 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.28 -46.07 79.9 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.1 -0.704 . . . . 1.3400000000000001 109.1 179.549 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.18 -26.12 65.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.358 -0.839 . . . . 1.3 109.178 179.793 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -82.32 -3.02 54.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.379 -0.826 . . . . 1.8 109.56 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.45 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 1.47 109.367 -179.971 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.19 83.13 0.07 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.481 -1.448 . . . . 1.6599999999999999 109.481 179.931 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.27 151.68 23.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -1.145 . . . . 4.7800000000000002 109.679 -179.837 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -51.27 152.22 4.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 6.1900000000000004 109.206 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.32 143.81 84.72 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 120.955 1.103 . . . . 6.1799999999999997 109.961 179.432 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.464 -1.454 . . . . 6.9000000000000004 109.464 179.876 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.259 0.552 . . . . 7.6900000000000004 109.554 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.05 167.19 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.271 -0.893 . . . . 7.4500000000000002 109.42 179.92 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' D' ' 323' ' ' LEU . 46.7 tttp 57.84 70.61 1.24 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.242 -0.911 . . . . 6.8399999999999999 109.56 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' D' ' 324' ' ' ASP . 2.0 Cg_endo -64.12 4.85 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.511 1.474 . . . . 5.1200000000000001 110.013 -179.627 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.7 mt -82.08 30.15 0.4 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 4.6600000000000001 109.205 179.648 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' D' ' 322' ' ' PRO . 26.0 m-20 -78.24 -126.67 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.684 -0.635 . . . . 2.46 110.184 -179.219 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.717 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -67.28 161.3 48.15 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.154 -1.178 . . . . 1.0800000000000001 110.154 -179.249 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.21 129.58 42.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.422 -1.046 . . . . 1.6699999999999999 109.701 -179.944 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 32.2 m-85 -97.77 152.99 18.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.227 -0.92 . . . . 1.01 109.69 179.879 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -138.94 139.67 38.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.878 . . . . 0.63 108.822 179.479 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.84 164.78 12.98 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.274 -0.891 . . . . 1.1299999999999999 109.187 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.75 14.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.186 -0.946 . . . . 1.1000000000000001 110.044 -179.18 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.19 33.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.869 179.495 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.41 117.23 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.533 -0.729 . . . . 1.1499999999999999 109.731 -179.474 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.693 HH21 ' H ' ' B' ' 325' ' ' GLY . 19.4 ttt-85 -76.74 154.33 34.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.388 -0.82 . . . . 2.77 109.647 179.446 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.36 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.331 -1.108 . . . . 0.42999999999999999 110.331 179.076 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.416 HH21 ' CD ' ' B' ' 326' ' ' GLU . 34.9 ttm180 -83.23 -47.45 11.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.39 -1.065 . . . . 3.1200000000000001 109.348 179.679 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.54 93.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.366 179.983 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.35 -41.96 97.91 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.319 -0.863 . . . . 3.5 109.496 -179.954 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -55.06 -55.73 27.75 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.577 -0.702 . . . . 0.5 109.75 -179.794 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.07 -38.03 49.21 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.224 -0.923 . . . . 1.6899999999999999 109.954 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.87 -52.71 58.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 110.711 -179.206 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.57 -43.71 96.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.12 -0.987 . . . . 0.32000000000000001 109.277 -179.55 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -51.4 -43.71 62.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.279 -0.888 . . . . 2.96 109.518 179.768 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.48 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.308 -0.87 . . . . 1.75 109.947 -179.748 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.12 -42.58 98.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 1.0800000000000001 109.414 -179.75 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -58.47 -50.7 72.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.2 -0.938 . . . . 1.22 109.651 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -63.28 -34.9 78.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 1.73 109.863 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.36 74.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 1.0700000000000001 110.095 -179.567 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.6 -43.51 98.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.1100000000000001 109.695 -179.667 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.71 -34.65 73.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.432 179.954 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.66 -51.26 63.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.328 -179.916 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.04 -42.4 94.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 2.1499999999999999 109.015 179.915 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.37 -46.08 80.2 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.065 -0.717 . . . . 1.4399999999999999 109.065 179.612 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.18 65.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.358 -0.839 . . . . 1.3 109.223 179.777 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -82.26 -3.02 54.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 1.3999999999999999 109.548 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.44 -88.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.95 . . . . 1.6000000000000001 109.394 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.18 83.12 0.07 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.447 -1.461 . . . . 1.5 109.447 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.23 151.74 23.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.256 -1.144 . . . . 4.5499999999999998 109.629 -179.845 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -51.28 152.22 4.44 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 5.6699999999999999 109.187 -179.822 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.3 143.78 84.62 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.035 1.156 . . . . 6.1200000000000001 109.913 179.395 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.486 -1.445 . . . . 7.2699999999999996 109.486 179.832 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.56 ' C ' ' H ' ' A' ' 321' ' ' LYS . 29.3 mmtp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.326 -0.62 . . . . 7.6600000000000001 109.326 . . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 321' ' ' LYS . 64.6 mmtt 60.85 -5.78 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.462 -0.773 . . . . 7.5099999999999998 110.237 179.973 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' A' ' 319' ' ' LYS . 79.4 mttt 57.59 118.72 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.443 -0.786 . . . . 6.8099999999999996 109.954 179.835 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.7 Cg_exo -58.25 -161.34 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.69 0 N-CA-C 109.315 -1.071 . . . . 5.1500000000000004 109.315 179.776 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 3.2 mm? -80.49 84.91 6.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.989 -1.069 . . . . 4.7000000000000002 109.199 179.942 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.88 155.88 21.51 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.758 -0.589 . . . . 2.48 109.517 179.834 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.09 153.75 52.99 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.111 -1.596 . . . . 1.0800000000000001 109.111 179.58 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.49 135.57 57.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.243 -1.151 . . . . 1.7 109.421 -179.917 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.336 -0.853 . . . . 1.04 109.762 -179.815 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.62 ' H ' ' NE2' ' C' ' 331' ' ' GLN . 83.3 m-85 -138.39 -173.96 3.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.374 -0.829 . . . . 0.65000000000000002 109.332 179.946 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -149.73 147.97 28.69 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.569 -0.9 . . . . 1.1399999999999999 108.569 179.99 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 67.5 tp -141.18 134.21 29.2 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.834 . . . . 1.0900000000000001 109.913 -178.565 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.648 HE21 ' H ' ' C' ' 328' ' ' PHE . 7.5 tm0? -84.72 127.36 34.07 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.312 -0.996 . . . . 1.3700000000000001 108.312 179.137 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.52 112.25 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.064 -179.406 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -75.52 149.99 38.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.532 -0.73 . . . . 2.79 109.863 -179.88 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.98 134.33 5.97 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.883 -1.287 . . . . 0.45000000000000001 109.883 179.529 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.6 -48.43 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -1.089 . . . . 3.1600000000000001 109.419 179.785 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.86 -44.16 90.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.37 -0.831 . . . . 2.2200000000000002 109.359 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.246 -0.909 . . . . 3.54 109.233 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.83 -56.68 16.77 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.5 109.667 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.61 -39.25 57.65 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.294 -0.879 . . . . 1.6599999999999999 109.728 -179.807 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.12 -51.94 64.51 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 110.155 -179.237 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.96 -46.57 90.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.109 -0.994 . . . . 0.34000000000000002 108.899 -179.8 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.69 -43.15 62.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 2.9399999999999999 109.5 179.74 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.72 -45.45 92.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.864 . . . . 1.74 110.093 -179.579 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.51 -42.49 96.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 1.0700000000000001 109.221 -179.985 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.72 -52.7 64.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.357 -0.839 . . . . 1.22 109.323 179.707 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.5 ' CD ' ' HZ3' ' B' ' 351' ' ' LYS . 79.4 tt0 -63.51 -35.9 81.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 1.72 109.752 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.49 57.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 109.898 -179.601 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.06 -43.59 98.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.296 -179.882 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -35.68 73.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.9099999999999999 109.143 179.87 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.527 ' O ' ' NE2' ' A' ' 354' ' ' GLN . 23.7 tp -63.8 -44.19 94.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.435 -0.791 . . . . 1.1499999999999999 109.329 179.874 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.99 -42.82 99.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 2.1400000000000001 108.763 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -57.74 -29.51 64.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.388 179.547 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.79 84.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 1.3 109.911 -179.734 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 350' ' ' LEU . 3.9 mp0 -80.99 -5.14 57.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.4199999999999999 109.39 -179.819 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.69 -6.41 40.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 1.5800000000000001 109.347 179.713 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 -1.85 88.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.621 -1.392 . . . . 1.54 109.621 -179.933 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -85.66 124.44 32.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.213 -1.169 . . . . 4.5499999999999998 109.489 -179.857 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -48.6 115.62 4.49 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 5.71 109.243 179.878 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -59.4 139.1 88.04 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.743 -0.907 . . . . 6.0899999999999999 109.743 -179.783 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 118.002 -1.443 . . . . 7.2400000000000002 109.568 -179.865 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' B' ' 321' ' ' LYS . 29.3 mmtp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.385 -0.598 . . . . 7.6699999999999999 109.385 . . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' B' ' 321' ' ' LYS . 64.7 mmtt 60.77 -5.72 0.1 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 7.46 110.21 -179.936 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.567 ' H ' ' C ' ' B' ' 319' ' ' LYS . 79.4 mttt 57.57 118.8 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.623 -0.673 . . . . 6.79 109.918 179.814 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.36 -161.34 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.689 0 N-CA-C 109.302 -1.076 . . . . 5.1500000000000004 109.302 179.806 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 3.2 mm? -80.47 84.93 5.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.986 -1.071 . . . . 4.6600000000000001 109.181 179.923 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.84 155.87 21.57 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.793 -0.567 . . . . 2.4700000000000002 109.559 179.738 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 153.84 53.1 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.16 -1.576 . . . . 1.0600000000000001 109.16 179.496 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.58 135.49 57.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -1.182 . . . . 1.6100000000000001 109.387 -179.904 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.212 -0.93 . . . . 0.96999999999999997 109.726 -179.803 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.617 ' H ' HE21 ' D' ' 331' ' ' GLN . 83.4 m-85 -138.35 -173.94 3.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.59999999999999998 109.338 179.996 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -149.7 148.08 28.83 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.542 -0.91 . . . . 1.1000000000000001 108.542 179.984 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.32 134.16 28.87 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.379 -0.826 . . . . 1.1000000000000001 109.776 -178.524 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.667 HE21 ' H ' ' D' ' 328' ' ' PHE . 7.6 tm0? -84.68 127.37 34.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.326 -0.991 . . . . 1.3600000000000001 108.326 179.085 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.48 112.23 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.399 -0.813 . . . . 1.1699999999999999 109.184 -179.473 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.53 149.97 38.26 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.73 . . . . 2.79 109.816 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.35 5.98 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.921 -1.272 . . . . 0.47999999999999998 109.921 179.498 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.63 -48.48 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -1.112 . . . . 3.2200000000000002 109.318 179.882 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.8 -44.13 90.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.288 -0.883 . . . . 2.21 109.409 179.91 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.42 99.54 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.216 -0.928 . . . . 3.5499999999999998 109.253 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.79 -56.68 16.75 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.514 -0.741 . . . . 0.52000000000000002 109.69 -179.929 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.65 -39.23 57.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 109.789 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.14 -51.9 64.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 110.191 -179.321 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.95 -46.6 90.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.33000000000000002 108.899 -179.856 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.59 -43.2 62.4 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.368 -0.832 . . . . 3.02 109.573 179.716 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -59.68 -45.55 91.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 1.75 109.968 -179.563 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.56 -42.43 96.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.131 -0.981 . . . . 1.0700000000000001 109.177 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.75 -52.66 64.75 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 1.21 109.365 179.684 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.5 -35.98 82.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 1.6899999999999999 109.729 -179.945 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.65 55.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 1.0600000000000001 109.919 -179.627 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.11 -43.5 98.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.96 . . . . 1.0800000000000001 109.24 -179.785 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -59.0 -35.7 73.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 1.9299999999999999 109.239 179.753 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' B' ' 354' ' ' GLN . 23.7 tp -63.8 -44.2 94.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.307 -0.871 . . . . 1.1399999999999999 109.25 179.832 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.5 ' HZ3' ' CD ' ' A' ' 346' ' ' GLU . 11.5 ttmm -61.0 -42.96 99.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 2.1899999999999999 108.792 179.911 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.63 -29.46 64.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.579 -0.7 . . . . 1.4299999999999999 109.416 179.458 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.79 84.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 1.3100000000000001 109.873 -179.668 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' B' ' 350' ' ' LEU . 3.9 mp0 -80.96 -5.08 57.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 1.3999999999999999 109.388 -179.833 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -6.42 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.955 . . . . 1.5700000000000001 109.257 179.782 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 -1.88 88.25 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.605 -1.398 . . . . 1.53 109.605 -179.914 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.64 124.44 32.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.18 -1.188 . . . . 4.5800000000000001 109.556 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -48.66 115.65 4.56 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.326 -0.859 . . . . 5.6799999999999997 109.164 179.982 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -59.34 138.95 87.48 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 N-CA-C 109.774 -0.895 . . . . 6.0499999999999998 109.774 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 117.962 -1.466 . . . . 7.2000000000000002 109.532 -179.929 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.555 ' C ' ' H ' ' C' ' 321' ' ' LYS . 29.2 mmtp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.381 -0.6 . . . . 9.2200000000000006 109.381 . . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' C' ' 321' ' ' LYS . 64.7 mmtt 60.77 -5.67 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.494 -0.754 . . . . 8.5099999999999998 110.226 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.555 ' H ' ' C ' ' C' ' 319' ' ' LYS . 79.6 mttt 57.47 118.77 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.503 -0.748 . . . . 7.4199999999999999 109.948 179.859 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.29 -161.33 0.02 OUTLIER 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.325 -1.067 . . . . 5.0499999999999998 109.325 179.811 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.2 mm? -80.5 84.94 6.0 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.984 -1.073 . . . . 5.1399999999999997 109.18 179.951 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 155.86 21.62 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.744 -0.598 . . . . 2.8500000000000001 109.495 179.78 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.96 153.84 53.09 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.149 -1.58 . . . . 1.27 109.149 179.472 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.65 135.53 57.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.209 -1.171 . . . . 2.1099999999999999 109.41 -179.958 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -93.96 145.91 24.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.902 . . . . 1.01 109.719 -179.748 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.648 ' H ' HE21 ' A' ' 331' ' ' GLN . 83.4 m-85 -138.3 -173.93 3.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.421 -0.799 . . . . 0.57999999999999996 109.343 179.993 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.6 p -149.74 148.1 28.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.557 -0.905 . . . . 1.1599999999999999 108.557 179.892 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 67.4 tp -141.29 134.24 29.05 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.368 -0.832 . . . . 1.1699999999999999 109.825 -178.534 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 328' ' ' PHE . 7.6 tm0? -84.73 127.42 34.1 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.342 -0.984 . . . . 1.8100000000000001 108.342 179.073 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.55 112.15 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.486 -0.759 . . . . 1.1299999999999999 109.174 -179.421 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.5 150.01 38.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.543 -0.723 . . . . 2.8199999999999998 109.874 -179.791 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.94 134.36 5.96 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.922 -1.271 . . . . 0.45000000000000001 109.922 179.554 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -79.58 -48.43 13.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.423 -1.045 . . . . 3.0800000000000001 109.369 179.845 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.89 -44.16 91.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.845 . . . . 2.54 109.332 179.898 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.63 -42.3 99.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.339 -0.85 . . . . 4.1100000000000003 109.283 179.907 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.86 -56.64 17.28 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.513 -0.742 . . . . 0.56999999999999995 109.637 -179.954 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.73 -39.17 57.96 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.42 -0.8 . . . . 1.6599999999999999 109.783 -179.753 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.15 -51.86 64.76 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.293 -0.879 . . . . 1.29 110.244 -179.286 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.01 -46.56 90.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.40000000000000002 108.904 -179.884 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.63 -43.11 62.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.307 -0.87 . . . . 3.8500000000000001 109.527 179.701 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.84 -45.42 92.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.78 110.0 -179.539 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.61 -42.3 96.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.943 . . . . 1.1699999999999999 109.241 -179.942 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -58.88 -52.59 65.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.895 . . . . 1.2 109.356 179.673 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.48 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 2.1200000000000001 109.764 -179.964 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.55 56.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 109.958 -179.605 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.01 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.176 -0.952 . . . . 1.1399999999999999 109.377 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.02 -35.74 73.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.218 179.779 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.528 ' O ' ' NE2' ' C' ' 354' ' ' GLN . 23.9 tp -63.85 -44.12 94.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.3799999999999999 109.25 179.937 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.511 ' HZ3' ' CD ' ' D' ' 346' ' ' GLU . 11.5 ttmm -61.04 -42.93 99.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.335 -0.853 . . . . 2.6800000000000002 108.755 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.67 -29.44 64.64 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.666 -0.646 . . . . 1.3400000000000001 109.452 179.486 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.74 84.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 1.3 109.92 -179.668 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 350' ' ' LEU . 3.9 mp0 -80.9 -5.18 57.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.161 -0.962 . . . . 1.8 109.467 -179.938 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.71 -6.4 40.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.973 . . . . 1.47 109.317 179.763 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 -1.85 88.29 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.64 -1.384 . . . . 1.6599999999999999 109.64 -179.908 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.66 124.44 32.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -1.18 . . . . 4.7800000000000002 109.567 -179.913 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -48.62 115.66 4.54 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 6.1900000000000004 109.18 179.957 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -59.43 139.0 87.49 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 N-CA-C 109.703 -0.922 . . . . 6.1799999999999997 109.703 -179.839 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.462 -1.455 . . . . 6.9000000000000004 109.462 -179.961 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.557 ' C ' ' H ' ' D' ' 321' ' ' LYS . 29.2 mmtp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.407 -0.59 . . . . 7.6900000000000004 109.407 . . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' D' ' 321' ' ' LYS . 64.6 mmtt 60.79 -5.73 0.1 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.539 -0.725 . . . . 7.4500000000000002 110.269 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' D' ' 319' ' ' LYS . 79.4 mttt 57.53 118.72 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 6.8399999999999999 109.976 179.83 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -58.25 -161.32 0.02 OUTLIER 'Trans proline' 0 C--O 1.215 -0.638 0 N-CA-C 109.336 -1.063 . . . . 5.1200000000000001 109.336 179.821 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.2 mm? -80.47 84.91 5.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.006 -1.058 . . . . 4.6600000000000001 109.199 179.909 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.92 155.89 21.47 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.775 -0.578 . . . . 2.46 109.468 179.848 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.95 153.82 53.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.18 -1.568 . . . . 1.0800000000000001 109.18 179.482 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.55 135.51 57.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.158 -1.201 . . . . 1.6699999999999999 109.411 -179.962 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.96 145.87 24.33 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.26 -0.9 . . . . 1.01 109.728 -179.81 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.667 ' H ' HE21 ' B' ' 331' ' ' GLN . 83.3 m-85 -138.26 -173.9 3.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.382 -0.824 . . . . 0.63 109.302 179.995 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.76 148.05 28.75 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.528 -0.916 . . . . 1.1299999999999999 108.528 179.938 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.25 134.21 29.07 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.315 -0.865 . . . . 1.1000000000000001 109.848 -178.554 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.617 HE21 ' H ' ' B' ' 328' ' ' PHE . 7.6 tm0? -84.72 127.39 34.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.28 -1.008 . . . . 1.3700000000000001 108.28 179.12 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.45 112.32 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.483 -0.761 . . . . 1.1499999999999999 109.196 -179.549 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -75.65 150.06 38.04 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.545 -0.722 . . . . 2.77 109.819 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.37 5.99 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.889 -1.284 . . . . 0.42999999999999999 109.889 179.556 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.71 -48.41 13.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -1.077 . . . . 3.1200000000000001 109.357 179.787 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -44.16 90.96 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 2.2200000000000002 109.341 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -62.6 -42.29 99.48 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.242 -0.911 . . . . 3.5 109.294 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.9 -56.69 16.81 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.578 -0.702 . . . . 0.5 109.591 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.69 -39.18 57.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.773 -179.749 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.04 -51.98 64.65 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.201 -0.937 . . . . 1.1399999999999999 110.229 -179.374 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.95 -46.62 89.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.065 -1.022 . . . . 0.32000000000000001 108.932 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.59 -43.18 62.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -0.848 . . . . 2.96 109.567 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.73 -45.43 92.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.312 -0.868 . . . . 1.75 110.037 -179.571 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.65 -42.41 96.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 109.197 -179.931 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.73 -52.69 64.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.309 -0.869 . . . . 1.22 109.34 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.511 ' CD ' ' HZ3' ' C' ' 351' ' ' LYS . 79.4 tt0 -63.46 -35.99 82.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 1.73 109.757 -179.946 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.49 57.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 109.976 -179.628 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.1 -43.55 98.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 1.1100000000000001 109.293 -179.934 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.97 -35.74 73.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.17 179.818 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' D' ' 354' ' ' GLN . 23.8 tp -63.8 -44.16 94.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.381 -0.825 . . . . 1.1699999999999999 109.324 179.875 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.03 -42.81 99.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.318 -0.864 . . . . 2.1499999999999999 108.773 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -57.72 -29.52 64.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.35 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.85 84.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 1.3 109.879 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' D' ' 350' ' ' LEU . 3.9 mp0 -80.84 -5.21 56.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.173 -0.955 . . . . 1.3999999999999999 109.415 -179.877 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -6.28 40.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.172 -0.955 . . . . 1.6000000000000001 109.334 179.772 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.19 -1.87 88.2 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.611 -1.396 . . . . 1.5 109.611 -179.96 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.68 124.43 32.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.206 -1.173 . . . . 4.5499999999999998 109.541 -179.838 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -48.61 115.66 4.53 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.363 -0.835 . . . . 5.6699999999999999 109.171 179.955 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -59.38 139.01 87.68 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 N-CA-C 109.769 -0.897 . . . . 6.1200000000000001 109.769 -179.886 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.471 -1.451 . . . . 7.2699999999999996 109.471 -179.952 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 320' ' ' LYS . 94.8 mttt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.408 -0.59 . . . . 7.6600000000000001 109.408 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 319' ' ' LYS . 34.5 mttp 60.32 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.655 -0.653 . . . . 7.5099999999999998 109.778 -179.743 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 321' ' ' LYS . 4.3 mptp? 49.78 69.01 2.92 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 6.8099999999999996 109.176 -179.962 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -59.6 -80.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.471 1.447 . . . . 5.1500000000000004 109.469 -179.598 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 12.8 mt -80.6 114.84 19.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.068 -1.02 . . . . 4.7000000000000002 109.635 -179.928 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.62 -149.53 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.306 -0.871 . . . . 2.48 109.479 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 167.51 45.1 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.691 -1.364 . . . . 1.0800000000000001 109.691 179.994 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.77 136.15 57.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -1.154 . . . . 1.7 109.463 179.987 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.54 153.41 18.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.176 -0.953 . . . . 1.04 109.469 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -135.73 -170.63 2.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.265 -0.897 . . . . 0.65000000000000002 109.068 179.832 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.71 145.19 24.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.202 -0.936 . . . . 1.1399999999999999 108.758 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.16 136.17 33.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.445 -0.784 . . . . 1.0900000000000001 109.614 -178.502 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.17 128.64 34.93 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.464 -0.939 . . . . 1.3700000000000001 108.464 179.031 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.03 116.41 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.309 0 N-CA-C 108.997 -0.742 . . . . 1.1499999999999999 108.997 -179.804 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.61 152.66 39.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.728 -0.607 . . . . 2.79 110.006 -179.432 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.06 136.26 1.52 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.46 -1.056 . . . . 0.45000000000000001 110.46 178.854 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -80.48 -41.6 24.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.422 -1.046 . . . . 3.1600000000000001 109.057 179.313 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.39 -48.34 80.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 108.982 179.505 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.2 ttm180 -60.87 -42.53 98.1 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.463 -0.773 . . . . 3.54 109.155 179.676 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -55.12 -54.9 37.34 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.591 -0.693 . . . . 0.5 109.527 179.936 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.17 63.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.6599999999999999 109.83 -179.772 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -61.66 -50.07 73.98 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.298 -0.876 . . . . 1.1499999999999999 110.132 -179.133 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.77 -45.77 93.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.942 . . . . 0.34000000000000002 108.902 -179.945 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -40.63 54.48 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.383 -0.823 . . . . 2.9399999999999999 109.58 179.607 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.12 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 1.74 109.932 -179.588 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.91 -34.05 72.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.251 -0.905 . . . . 1.0700000000000001 108.784 179.762 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.49 -57.45 12.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.535 -0.728 . . . . 1.22 109.33 179.317 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.53 -35.02 79.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.538 -0.726 . . . . 1.72 109.912 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.57 33.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 110.079 -179.253 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.76 -43.33 99.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.128 -0.982 . . . . 1.0800000000000001 109.405 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.81 -33.43 70.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 109.093 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.67 -52.06 54.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.428 -0.795 . . . . 1.1499999999999999 109.191 -179.915 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.92 -42.36 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.314 -0.866 . . . . 2.1400000000000001 109.097 179.819 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.494 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 35.0 m-20 -57.12 -35.62 69.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.582 -0.699 . . . . 1.4299999999999999 109.514 179.898 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.24 78.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 1.3 109.388 -179.976 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.83 -2.72 51.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 1.4199999999999999 109.608 -179.972 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -89.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.137 -0.977 . . . . 1.5800000000000001 109.487 -179.922 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.89 83.71 0.93 Allowed Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.576 -1.41 . . . . 1.54 109.576 179.96 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -87.1 143.32 27.36 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -1.141 . . . . 4.5499999999999998 109.614 -179.913 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -47.87 110.16 1.31 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.264 -0.897 . . . . 5.71 109.532 -179.657 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -61.41 172.2 3.62 Favored 'Trans proline' 0 N--CA 1.479 0.661 0 C-N-CA 120.705 0.937 . . . . 6.0899999999999999 109.832 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 109.488 -1.445 . . . . 7.2400000000000002 109.488 179.955 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.441 -0.577 . . . . 7.6699999999999999 109.441 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 319' ' ' LYS . 34.5 mttp 60.43 144.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.594 -0.691 . . . . 7.46 109.712 -179.691 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 321' ' ' LYS . 4.3 mptp? 49.91 68.41 3.48 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.146 -0.971 . . . . 6.79 109.268 179.933 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -58.99 -80.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.398 1.399 . . . . 5.1500000000000004 109.752 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.54 114.98 19.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.079 -1.013 . . . . 4.6600000000000001 109.604 -179.835 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.8 -149.56 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.89 . . . . 2.4700000000000002 109.491 -179.983 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 167.55 44.4 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.605 -1.398 . . . . 1.0600000000000001 109.605 -179.965 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.63 136.13 57.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.288 -1.124 . . . . 1.6100000000000001 109.555 179.699 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.53 153.05 18.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.125 -0.985 . . . . 0.96999999999999997 109.621 179.931 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.54 -170.63 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.25 -0.906 . . . . 0.59999999999999998 109.003 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.79 144.87 23.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.267 -0.896 . . . . 1.1000000000000001 108.832 179.794 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -139.92 136.12 33.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.459 -0.776 . . . . 1.1000000000000001 109.711 -178.417 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.29 128.6 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.395 -0.965 . . . . 1.3600000000000001 108.395 179.143 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.89 116.46 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 N-CA-C 109.03 -0.73 . . . . 1.1699999999999999 109.03 -179.838 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -74.67 153.06 39.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.657 -0.652 . . . . 2.79 109.943 -179.418 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.62 136.45 1.4 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.497 -1.041 . . . . 0.47999999999999998 110.497 178.991 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.58 -41.54 23.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.397 -1.06 . . . . 3.2200000000000002 109.037 179.26 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.45 -48.34 81.06 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 2.21 108.97 179.512 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -60.96 -42.52 98.44 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.529 -0.732 . . . . 3.5499999999999998 109.115 179.678 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.19 -54.81 38.59 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.545 -0.722 . . . . 0.52000000000000002 109.547 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.17 -43.12 63.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.411 -0.806 . . . . 1.6799999999999999 109.828 -179.812 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -61.75 -50.05 73.93 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 110.087 -179.087 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.73 -45.8 92.86 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.079 -1.013 . . . . 0.33000000000000002 108.905 -179.977 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.73 -40.6 54.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.407 -0.808 . . . . 3.02 109.584 179.625 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.16 -49.53 77.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.313 -0.867 . . . . 1.75 109.876 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.98 -34.01 72.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 108.74 179.847 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.4 -57.43 13.04 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.369 -0.832 . . . . 1.21 109.374 179.302 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.62 -35.0 79.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.523 -0.736 . . . . 1.6899999999999999 109.945 -179.858 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.54 33.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.291 -0.881 . . . . 1.0600000000000001 109.989 -179.223 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.73 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 1.0800000000000001 109.372 -179.777 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.83 -33.37 70.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.307 -0.871 . . . . 1.9299999999999999 109.177 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.58 -52.16 54.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.466 -0.771 . . . . 1.1399999999999999 109.169 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.468 -0.77 . . . . 2.1899999999999999 109.078 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.42 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 35.6 m-20 -56.98 -35.67 69.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.619 179.777 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.15 77.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.29 -0.881 . . . . 1.3100000000000001 109.417 -179.907 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.78 -2.86 52.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.315 -0.866 . . . . 1.3999999999999999 109.565 179.899 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.43 -89.7 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 1.5700000000000001 109.461 -179.998 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.74 83.66 0.91 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.51 -1.436 . . . . 1.53 109.51 -179.929 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -87.09 143.18 27.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.243 -1.151 . . . . 4.5800000000000001 109.62 -179.967 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.7 110.16 1.29 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 5.6799999999999997 109.525 -179.752 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -61.52 172.36 3.58 Favored 'Trans proline' 0 N--CA 1.479 0.643 0 C-N-CA 120.728 0.952 . . . . 6.0499999999999998 109.763 -179.932 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.526 -1.43 . . . . 7.2000000000000002 109.526 179.93 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.5 -0.556 . . . . 9.2200000000000006 109.5 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 319' ' ' LYS . 34.6 mttp 60.49 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.63 -0.669 . . . . 8.5099999999999998 109.679 -179.903 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' C' ' 321' ' ' LYS . 4.3 mptp? 49.89 68.44 3.46 Favored Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 121.152 -0.967 . . . . 7.4199999999999999 109.216 179.934 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.96 -81.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.421 1.414 . . . . 5.0499999999999998 109.751 179.91 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.4 114.86 19.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.046 -1.034 . . . . 5.1399999999999997 109.613 -179.878 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.8 -149.53 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.105 -0.997 . . . . 2.8500000000000001 109.376 -179.94 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 167.58 44.75 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.588 -1.405 . . . . 1.27 109.588 -179.917 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.61 136.06 57.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.113 . . . . 2.1099999999999999 109.449 179.825 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -93.62 153.42 18.4 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.203 -0.935 . . . . 1.01 109.423 179.873 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.76 -170.64 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.001 179.838 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.61 145.31 24.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 1.1599999999999999 108.815 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.3 136.01 32.82 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.449 -0.782 . . . . 1.1699999999999999 109.612 -178.507 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.18 128.5 34.9 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.482 -0.933 . . . . 1.8100000000000001 108.482 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.84 116.46 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 N-CA-C 109.034 -0.728 . . . . 1.1299999999999999 109.034 -179.721 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.68 152.99 39.08 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.408 0.623 . . . . 2.8199999999999998 109.964 -179.428 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.72 136.45 1.43 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.448 -1.061 . . . . 0.45000000000000001 110.448 178.937 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.63 -41.42 23.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -1.097 . . . . 3.0800000000000001 109.041 179.282 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.53 -48.24 81.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.413 -0.805 . . . . 2.54 108.983 179.517 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.494 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 26.2 ttm180 -60.86 -42.67 98.31 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.396 -0.815 . . . . 4.1100000000000003 109.168 179.573 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.18 -54.82 38.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.569 -0.707 . . . . 0.56999999999999995 109.512 179.973 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.11 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.822 -179.861 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.77 -49.98 74.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.346 -0.846 . . . . 1.29 110.113 -179.079 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.81 -45.73 93.28 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.192 -0.942 . . . . 0.40000000000000002 109.015 179.99 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.78 -40.66 55.67 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.377 -0.827 . . . . 3.8500000000000001 109.485 179.626 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.95 -49.81 76.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.87 . . . . 1.78 109.882 -179.603 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.83 -33.98 72.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 108.809 179.84 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.43 -57.6 12.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.547 -0.72 . . . . 1.2 109.285 179.276 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.36 -35.03 79.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.474 -0.766 . . . . 2.1200000000000001 110.006 -179.868 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.58 33.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 109.998 -179.236 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.75 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.207 -0.933 . . . . 1.1399999999999999 109.357 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.78 -33.44 70.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.098 179.741 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.53 -52.18 54.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.341 -0.849 . . . . 1.3799999999999999 109.237 -179.921 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.02 -42.3 99.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.475 -0.765 . . . . 2.6800000000000002 109.021 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 35.5 m-20 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.556 179.837 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.17 77.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 1.3 109.436 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.77 -2.79 52.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.319 -0.863 . . . . 1.8 109.515 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -89.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 1.47 109.392 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.64 83.56 0.9 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.567 -1.413 . . . . 1.6599999999999999 109.567 -179.974 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -87.06 143.27 27.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.288 -1.124 . . . . 4.7800000000000002 109.674 -179.943 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.83 110.14 1.3 Allowed Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 6.1900000000000004 109.495 -179.628 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -61.4 172.4 3.44 Favored 'Trans proline' 0 N--CA 1.479 0.653 0 C-N-CA 120.751 0.968 . . . . 6.1799999999999997 109.788 -179.918 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 109.486 -1.446 . . . . 6.9000000000000004 109.486 179.901 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' D' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.495 -0.557 . . . . 7.6900000000000004 109.495 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' D' ' 319' ' ' LYS . 34.5 mttp 60.4 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.542 -0.724 . . . . 7.4500000000000002 109.722 -179.781 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.436 ' CD ' ' N ' ' D' ' 321' ' ' LYS . 4.3 mptp? 49.84 68.5 3.4 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 121.223 -0.923 . . . . 6.8399999999999999 109.286 -179.973 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.03 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 121.519 1.479 . . . . 5.1200000000000001 109.678 -179.817 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.55 114.79 19.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.944 -1.098 . . . . 4.6600000000000001 109.587 -179.844 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.69 -149.68 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.217 -0.927 . . . . 2.46 109.389 -179.887 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 167.53 44.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.674 -1.37 . . . . 1.0800000000000001 109.674 179.996 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.72 136.08 57.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.279 -1.13 . . . . 1.6699999999999999 109.445 179.89 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.57 153.25 18.52 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 1.01 109.475 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -135.63 -170.59 2.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.307 -0.871 . . . . 0.63 108.994 179.848 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.4 p -152.65 145.4 24.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 1.1299999999999999 108.83 179.745 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.43 135.89 32.5 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.408 -0.807 . . . . 1.1000000000000001 109.676 -178.449 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.0 128.59 34.89 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.575 -0.898 . . . . 1.3700000000000001 108.575 179.098 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.93 116.45 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 109.041 -0.726 . . . . 1.1499999999999999 109.041 -179.723 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -74.62 152.99 39.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.721 -0.612 . . . . 2.77 110.074 -179.486 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.69 136.39 1.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.568 -1.013 . . . . 0.42999999999999999 110.568 179.014 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -80.64 -41.59 23.6 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 108.912 179.417 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -58.29 -48.51 80.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.403 -0.811 . . . . 2.2200000000000002 108.926 179.451 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.42 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.2 ttm180 -60.85 -42.64 98.22 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.418 -0.801 . . . . 3.5 109.161 179.747 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.11 -54.87 37.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.535 -0.728 . . . . 0.5 109.507 179.895 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.05 -43.27 63.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 1.6899999999999999 109.865 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.65 -50.06 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 110.141 -179.075 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.8 -45.77 93.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.32000000000000001 108.93 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.71 -40.71 54.82 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.389 -0.819 . . . . 2.96 109.492 179.577 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.03 -49.6 77.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.344 -0.847 . . . . 1.75 109.915 -179.545 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.95 -33.94 72.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 108.763 179.854 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.44 -57.5 12.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.417 -0.802 . . . . 1.22 109.287 179.242 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.58 -34.99 79.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.493 -0.754 . . . . 1.73 109.923 -179.733 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -55.59 33.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 110.039 -179.234 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.75 -43.48 98.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 1.1100000000000001 109.35 -179.729 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.74 -33.46 70.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 109.065 179.785 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.56 -52.11 54.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 1.1699999999999999 109.202 -179.928 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.362 -0.836 . . . . 2.1499999999999999 109.053 179.826 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 35.6 m-20 -56.93 -35.65 69.3 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.59 -0.694 . . . . 1.4399999999999999 109.583 179.827 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -35.23 77.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.3 109.382 -179.84 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.76 -2.76 51.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 1.3999999999999999 109.62 179.903 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.51 -89.54 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.128 -0.982 . . . . 1.6000000000000001 109.495 -179.935 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.84 83.66 0.92 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.53 -1.428 . . . . 1.5 109.53 179.912 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -87.01 143.32 27.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.254 -1.145 . . . . 4.5499999999999998 109.665 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -47.81 110.07 1.28 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 5.6699999999999999 109.516 -179.698 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -61.32 172.44 3.32 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 120.84 1.027 . . . . 6.1200000000000001 109.718 -179.969 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.51 -1.436 . . . . 7.2699999999999996 109.51 179.898 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.472 -0.566 . . . . 7.6600000000000001 109.472 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 55.78 96.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 7.5099999999999998 109.565 179.946 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 323' ' ' LEU . 93.6 mttt 52.82 77.92 0.42 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.299 -0.876 . . . . 6.8099999999999996 109.61 179.748 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 324' ' ' ASP . 3.3 Cg_exo -62.95 3.55 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 121.254 1.303 . . . . 5.1500000000000004 110.005 -179.583 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.1 mt -82.5 32.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 4.7000000000000002 109.185 179.649 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 322' ' ' PRO . 26.3 m-20 -77.7 -130.01 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.651 -0.656 . . . . 2.48 110.07 -179.348 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.57 154.97 53.0 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.96 -1.256 . . . . 1.0800000000000001 109.96 -179.455 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.36 136.89 58.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.437 -1.037 . . . . 1.7 109.539 -179.95 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -95.55 144.69 25.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 1.04 109.821 -179.772 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.462 ' N ' ' OE1' ' C' ' 331' ' ' GLN . 78.4 m-85 -132.96 -172.47 2.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.451 -0.781 . . . . 0.65000000000000002 109.18 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.99 151.2 31.74 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.554 -0.906 . . . . 1.1399999999999999 108.554 -179.957 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.97 134.11 25.83 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.357 -0.84 . . . . 1.0900000000000001 109.776 -178.515 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.835 -0.802 . . . . 1.3700000000000001 108.835 179.549 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.69 111.48 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 109.032 -0.729 . . . . 1.1499999999999999 109.032 -179.729 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.44 151.01 38.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.787 . . . . 2.79 109.889 -179.75 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 133.25 5.09 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.055 -1.218 . . . . 0.45000000000000001 110.055 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' A' ' 335' ' ' ARG . 2.5 ttt-85 -79.57 -45.42 19.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -1.079 . . . . 3.1600000000000001 109.038 179.683 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.12 -46.22 85.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.424 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.454 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -63.13 -42.24 99.48 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.277 -0.89 . . . . 3.54 109.415 179.956 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -53.83 -55.35 27.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.699 -0.626 . . . . 0.5 109.808 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.5 -39.17 60.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.873 . . . . 1.6599999999999999 109.731 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.37 -52.24 62.51 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.266 -0.896 . . . . 1.1499999999999999 110.603 -179.408 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.83 -48.09 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.34000000000000002 109.172 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.59 -41.27 61.07 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.889 . . . . 2.9399999999999999 109.683 179.774 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -58.84 -49.28 78.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.202 -0.936 . . . . 1.74 109.954 -179.543 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.22 -37.21 79.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 1.0700000000000001 108.768 179.74 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.78 11.52 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.559 -0.713 . . . . 1.22 109.72 179.736 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.16 -33.53 75.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.403 -0.811 . . . . 1.72 109.904 -179.597 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.61 56.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.287 -0.883 . . . . 1.0700000000000001 110.127 -179.497 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.36 -41.67 97.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.138 -0.976 . . . . 1.0800000000000001 109.483 -179.826 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.58 -35.48 72.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 1.9099999999999999 109.001 179.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.81 -49.75 71.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.379 -0.825 . . . . 1.1499999999999999 108.816 179.658 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.89 -48.6 81.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.363 -0.836 . . . . 2.1400000000000001 108.961 179.579 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -57.08 -30.57 64.42 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.214 -0.661 . . . . 1.4299999999999999 109.214 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -31.68 72.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.917 . . . . 1.3 109.426 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.48 -36.24 26.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.292 -0.88 . . . . 1.4199999999999999 109.362 179.865 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -19.2 61.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.27 -0.894 . . . . 1.5800000000000001 109.163 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 11.61 60.38 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.306 -1.517 . . . . 1.54 109.306 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -85.1 119.25 25.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -1.125 . . . . 4.5499999999999998 109.536 -179.736 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.42 151.04 5.76 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.245 -0.91 . . . . 5.71 109.143 -179.967 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.55 133.06 55.87 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 120.899 1.066 . . . . 6.0899999999999999 109.932 179.387 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.465 -1.454 . . . . 7.2400000000000002 109.465 179.929 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.286 0.565 . . . . 7.6699999999999999 109.493 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttm 55.84 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 7.46 109.572 179.976 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' B' ' 323' ' ' LEU . 93.6 mttt 52.73 77.95 0.42 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 6.79 109.614 179.794 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' B' ' 324' ' ' ASP . 3.2 Cg_exo -62.97 3.5 0.53 Allowed 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.299 1.333 . . . . 5.1500000000000004 109.991 -179.595 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.0 mt -82.35 32.49 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 4.6600000000000001 109.224 179.586 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' B' ' 322' ' ' PRO . 25.8 m-20 -77.71 -130.18 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.702 -0.624 . . . . 2.4700000000000002 110.105 -179.352 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.21 154.98 52.86 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.973 -1.251 . . . . 1.0600000000000001 109.973 -179.505 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.45 136.92 58.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -1.093 . . . . 1.6100000000000001 109.507 179.954 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.47 144.75 25.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.96999999999999997 109.839 -179.827 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.439 ' N ' ' OE1' ' D' ' 331' ' ' GLN . 78.4 m-85 -133.01 -172.57 2.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.467 -0.77 . . . . 0.59999999999999998 109.161 179.842 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.9 151.35 32.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.197 -0.94 . . . . 1.1000000000000001 108.602 179.921 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -143.03 134.15 25.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 1.1000000000000001 109.838 -178.569 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -85.87 126.35 34.0 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.89 -0.781 . . . . 1.3600000000000001 108.89 179.571 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.69 111.55 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.418 -0.802 . . . . 1.1699999999999999 109.0 -179.632 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.52 151.0 38.02 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 2.79 109.848 -179.697 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.89 133.41 5.15 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.967 -1.253 . . . . 0.47999999999999998 109.967 179.531 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.504 ' HG2' HH11 ' B' ' 335' ' ' ARG . 2.5 ttt-85 -79.53 -45.44 19.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.355 -1.085 . . . . 3.2200000000000002 109.1 179.584 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.19 -46.24 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 2.21 109.436 -179.997 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -63.17 -42.15 99.34 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.245 -0.91 . . . . 3.5499999999999998 109.388 179.938 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.528 -0.733 . . . . 0.52000000000000002 109.771 -179.696 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -39.08 60.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.765 -179.854 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.5 -52.19 62.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 110.573 -179.344 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.92 -48.03 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.069 -1.019 . . . . 0.33000000000000002 109.136 -179.615 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.63 -41.2 61.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.307 -0.87 . . . . 3.02 109.704 179.818 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.86 -49.33 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 1.75 109.907 -179.569 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.18 79.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.076 -1.015 . . . . 1.0700000000000001 108.749 179.756 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.85 11.22 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.638 -0.664 . . . . 1.21 109.735 179.711 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.08 -33.6 75.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 109.914 -179.624 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -53.69 55.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.213 -0.929 . . . . 1.0600000000000001 110.084 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.34 -41.73 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 1.0800000000000001 109.436 -179.787 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.52 -35.58 72.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.988 179.72 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.76 -49.73 71.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.893 -0.78 . . . . 1.1399999999999999 108.893 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.99 -48.46 81.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 2.1899999999999999 108.896 179.673 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 17.1 m-20 -57.16 -30.53 64.55 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.61 -0.682 . . . . 1.4299999999999999 109.222 179.689 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 1.3100000000000001 109.528 -179.924 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.59 -36.13 26.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 1.3999999999999999 109.342 179.912 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -19.18 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -0.86 . . . . 1.5700000000000001 109.146 179.7 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 11.75 60.27 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.246 -1.542 . . . . 1.53 109.246 179.832 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -85.22 119.16 25.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 4.5800000000000001 109.561 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -51.45 151.06 5.81 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 109.11 -179.879 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.56 133.08 55.95 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 120.9 1.066 . . . . 6.0499999999999998 109.957 179.419 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.455 -1.458 . . . . 7.2000000000000002 109.455 179.971 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.465 -0.568 . . . . 9.2200000000000006 109.465 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 55.88 96.1 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.902 . . . . 8.5099999999999998 109.62 179.978 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' C' ' 323' ' ' LEU . 93.6 mttt 52.79 78.02 0.42 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 7.4199999999999999 109.626 179.833 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' C' ' 324' ' ' ASP . 3.2 Cg_exo -63.01 3.5 0.53 Allowed 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.305 1.337 . . . . 5.0499999999999998 110.014 -179.537 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.0 mt -82.42 32.59 0.4 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 5.1399999999999997 109.247 179.599 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' C' ' 322' ' ' PRO . 26.1 m-20 -77.77 -130.1 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.691 -0.63 . . . . 2.8500000000000001 110.025 -179.286 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.33 155.15 52.84 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.879 -1.288 . . . . 1.27 109.879 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.56 136.93 58.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -1.046 . . . . 2.1099999999999999 109.537 179.944 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.55 144.8 25.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.301 -0.875 . . . . 1.01 109.799 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.408 ' N ' ' OE1' ' A' ' 331' ' ' GLN . 78.5 m-85 -133.08 -172.51 2.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.36 -0.837 . . . . 0.57999999999999996 109.176 179.863 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.38 32.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.221 -0.925 . . . . 1.1599999999999999 108.525 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.5 tp -143.05 134.07 25.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.298 -0.876 . . . . 1.1699999999999999 109.868 -178.559 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -85.83 126.29 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.824 -0.806 . . . . 1.8100000000000001 108.824 179.61 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.64 111.52 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.463 -0.773 . . . . 1.1299999999999999 109.059 -179.694 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.51 151.06 38.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.803 . . . . 2.8199999999999998 109.865 -179.678 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 133.4 5.11 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.974 -1.251 . . . . 0.45000000000000001 109.974 179.57 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.505 ' HG2' HH11 ' C' ' 335' ' ' ARG . 2.5 ttt-85 -79.64 -45.35 19.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -1.067 . . . . 3.0800000000000001 109.059 179.695 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.23 -46.22 86.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.355 -0.841 . . . . 2.54 109.43 179.985 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -63.08 -42.23 99.6 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.417 -0.802 . . . . 4.1100000000000003 109.43 179.866 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.81 -55.42 26.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.604 -0.685 . . . . 0.56999999999999995 109.757 -179.743 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.45 -39.21 60.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 109.744 -179.756 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.36 -52.29 62.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.28 -0.888 . . . . 1.29 110.547 -179.312 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.85 -48.08 83.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.993 -1.067 . . . . 0.40000000000000002 109.152 -179.577 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.68 -41.08 61.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.29 -0.881 . . . . 3.8500000000000001 109.752 179.809 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.93 -49.3 78.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.241 -0.912 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.09 79.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 1.1699999999999999 108.76 179.771 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.24 -57.76 11.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.529 -0.732 . . . . 1.2 109.737 179.745 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.18 -33.56 75.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.412 -0.805 . . . . 2.1200000000000001 109.907 -179.633 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -53.67 55.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 110.165 -179.513 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -41.68 97.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 1.1399999999999999 109.412 -179.791 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.57 -35.62 72.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 2.0899999999999999 108.915 179.721 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.7 -49.89 71.33 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.876 -0.787 . . . . 1.3799999999999999 108.876 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.78 -48.57 81.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 2.6800000000000002 108.913 179.655 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.454 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 17.0 m-20 -57.04 -30.67 64.44 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.64 -0.663 . . . . 1.3400000000000001 109.233 179.703 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -31.63 72.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 1.3 109.503 -179.887 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.5 -36.35 26.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 1.8 109.31 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.23 61.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 1.47 109.173 179.764 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 11.67 60.37 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.329 -1.509 . . . . 1.6599999999999999 109.329 179.777 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -85.22 119.2 25.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -1.095 . . . . 4.7800000000000002 109.561 -179.775 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.37 151.08 5.61 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.847 . . . . 6.1900000000000004 109.113 -179.886 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.57 133.07 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 120.943 1.095 . . . . 6.1799999999999997 109.912 179.407 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.563 -1.415 . . . . 6.9000000000000004 109.563 179.862 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.448 -0.575 . . . . 7.6900000000000004 109.448 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttm 55.9 96.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 7.4500000000000002 109.528 179.959 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' D' ' 323' ' ' LEU . 93.6 mttt 52.87 77.91 0.42 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.273 -0.892 . . . . 6.8399999999999999 109.656 179.779 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' D' ' 324' ' ' ASP . 3.3 Cg_exo -63.09 3.65 0.53 Allowed 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 121.288 1.325 . . . . 5.1200000000000001 110.006 -179.505 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.0 mt -82.48 32.56 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.232 -0.917 . . . . 4.6600000000000001 109.154 179.576 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' D' ' 322' ' ' PRO . 26.2 m-20 -77.73 -130.1 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.685 -0.634 . . . . 2.46 110.033 -179.343 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.49 155.01 52.97 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.901 -1.28 . . . . 1.0800000000000001 109.901 -179.389 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.41 136.93 58.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -1.065 . . . . 1.6699999999999999 109.447 -179.909 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -95.54 144.79 25.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.906 . . . . 1.01 109.815 -179.824 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.449 ' N ' ' OE1' ' B' ' 331' ' ' GLN . 78.6 m-85 -133.07 -172.56 2.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.483 -0.761 . . . . 0.63 109.144 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.31 31.95 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 1.1299999999999999 108.576 179.97 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -142.99 134.19 25.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 1.1000000000000001 109.761 -178.514 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -85.95 126.29 34.0 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.857 -0.794 . . . . 1.3700000000000001 108.857 179.561 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.65 111.44 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.437 -0.79 . . . . 1.1499999999999999 109.026 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -75.39 150.98 38.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 2.77 109.946 -179.765 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 133.36 5.12 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.024 -1.23 . . . . 0.42999999999999999 110.024 179.587 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.494 ' HG2' HH11 ' D' ' 335' ' ' ARG . 2.5 ttt-85 -79.61 -45.36 19.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.389 -1.065 . . . . 3.1200000000000001 109.094 179.616 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.23 -46.2 86.34 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.393 -0.817 . . . . 2.2200000000000002 109.438 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -63.11 -42.26 99.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.297 -0.877 . . . . 3.5 109.38 179.93 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -53.82 -55.41 26.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.604 -0.685 . . . . 0.5 109.809 -179.7 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.44 -39.13 60.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 1.6899999999999999 109.784 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.38 -52.31 62.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 110.568 -179.394 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.87 -48.15 83.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.117 -0.989 . . . . 0.32000000000000001 109.089 -179.528 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.52 -41.18 60.84 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.284 -0.885 . . . . 2.96 109.775 179.775 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.92 -49.25 78.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -0.959 . . . . 1.75 109.934 -179.566 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.26 -37.2 79.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.071 -1.018 . . . . 1.0800000000000001 108.68 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.551 -0.718 . . . . 1.22 109.775 179.729 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.04 -33.59 75.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.411 -0.806 . . . . 1.73 109.894 -179.655 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.71 55.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.87 . . . . 1.0700000000000001 110.076 -179.443 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 1.1100000000000001 109.515 -179.744 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.51 -35.57 72.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.025 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.78 -49.78 71.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.378 -0.827 . . . . 1.1699999999999999 108.868 179.671 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.89 -48.61 81.04 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.378 -0.826 . . . . 2.1499999999999999 109.006 179.498 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 17.1 m-20 -57.09 -30.47 64.37 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.666 -0.646 . . . . 1.4399999999999999 109.287 179.632 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.68 72.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.3 109.511 -179.938 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.48 -36.4 26.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.181 -0.95 . . . . 1.3999999999999999 109.293 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.05 -19.12 61.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.346 -0.846 . . . . 1.6000000000000001 109.231 179.758 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 11.71 60.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.254 -1.539 . . . . 1.5 109.254 179.769 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -85.18 119.22 25.32 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -1.116 . . . . 4.5499999999999998 109.513 -179.761 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.46 151.07 5.83 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 5.6699999999999999 109.101 -179.892 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.49 133.06 55.86 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 120.962 1.108 . . . . 6.1200000000000001 109.937 179.39 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.454 -1.458 . . . . 7.2699999999999996 109.454 179.925 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.6600000000000001 109.434 . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 54.13 -86.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 7.5099999999999998 109.717 179.961 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 319' ' ' LYS . 18.0 ttpp 56.35 68.16 2.39 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 6.8099999999999996 109.732 -179.944 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.83 -148.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.41 1.407 . . . . 5.1500000000000004 109.69 -179.865 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.86 143.05 39.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.024 -1.048 . . . . 4.7000000000000002 108.971 179.927 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -78.85 111.53 15.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.242 -0.911 . . . . 2.48 109.896 -179.472 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.09 155.62 53.55 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.966 -1.653 . . . . 1.0800000000000001 108.966 179.44 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 14.5 mp0 -61.68 121.24 12.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.054 -1.262 . . . . 1.7 109.994 -179.695 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 69.8 m-85 -96.59 151.85 19.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.243 -0.91 . . . . 1.04 109.378 179.505 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.31 4.12 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.65000000000000002 109.262 179.898 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.26 146.55 26.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.297 -0.877 . . . . 1.1399999999999999 108.762 -179.801 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.08 132.18 27.98 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 1.0900000000000001 109.735 -178.573 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.72 130.64 34.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.358 -0.979 . . . . 1.3700000000000001 108.358 179.12 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -123.33 113.29 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.412 -0.805 . . . . 1.1499999999999999 109.331 -179.49 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -74.49 149.52 40.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.531 -0.73 . . . . 2.79 109.311 179.704 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 135.12 4.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.868 -1.293 . . . . 0.45000000000000001 109.868 179.836 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.77 -46.18 15.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -1.102 . . . . 3.1600000000000001 109.555 179.861 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.06 -42.83 86.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.513 -179.936 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.463 ' NH1' ' H1 ' ' C' ' 1' ' ' HOH . 23.1 ttm180 -62.06 -42.87 99.64 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.337 -0.852 . . . . 3.54 109.313 179.96 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -55.54 -56.9 14.95 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.585 -0.697 . . . . 0.5 110.039 -179.694 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.6 -37.82 51.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 110.083 -179.505 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.7 -50.78 67.83 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 110.502 -179.221 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.86 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.091 -1.006 . . . . 0.34000000000000002 109.189 -179.515 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.6 -43.67 62.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.293 -0.88 . . . . 2.9399999999999999 109.511 179.669 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.04 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.107 -0.995 . . . . 1.74 109.76 -179.792 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.56 -44.43 97.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.463 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -58.02 -48.2 80.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 1.22 109.247 179.868 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.99 -38.41 88.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.858 . . . . 1.72 109.466 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.31 66.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.846 -179.869 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.64 -43.87 98.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 1.0800000000000001 109.314 -179.94 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.44 -36.62 76.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.209 179.689 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.22 -51.78 62.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.456 -0.778 . . . . 1.1499999999999999 109.114 179.849 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.62 -42.05 96.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.1400000000000001 109.033 179.832 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -34.78 67.56 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.331 179.778 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.34 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.351 -0.843 . . . . 1.3 109.658 -179.889 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.5 -3.77 54.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 1.4199999999999999 109.637 -179.846 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.38 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 1.5800000000000001 109.22 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.97 76.83 0.56 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.275 -1.53 . . . . 1.54 109.275 179.671 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.23 130.82 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -1.106 . . . . 4.5499999999999998 109.569 -179.755 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 360' ' ' GLY . 28.5 mt-10 -51.29 155.15 2.52 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.395 -0.816 . . . . 5.71 109.113 -179.863 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.1 4.99 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 121.169 1.246 . . . . 6.0899999999999999 110.361 179.345 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.026 -1.43 . . . . 7.2400000000000002 109.604 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' B' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.402 -0.592 . . . . 7.6699999999999999 109.402 . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 54.17 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.335 -0.853 . . . . 7.46 109.612 179.934 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 319' ' ' LYS . 18.0 ttpp 56.35 68.23 2.36 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 6.79 109.667 -179.902 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.81 -148.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.465 1.443 . . . . 5.1500000000000004 109.685 -179.963 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.89 143.11 39.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.021 -1.049 . . . . 4.6600000000000001 108.974 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.85 111.59 15.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.171 -0.956 . . . . 2.4700000000000002 109.84 -179.393 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.15 155.63 53.53 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.926 -1.67 . . . . 1.0600000000000001 108.926 179.451 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' B' ' 326' ' ' GLU . 14.5 mp0 -61.56 121.13 11.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.237 . . . . 1.6100000000000001 110.007 -179.773 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 69.6 m-85 -96.65 151.9 19.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.357 179.492 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.29 4.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.363 -0.835 . . . . 0.59999999999999998 109.319 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 108.725 -179.78 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 51.3 tp -140.22 132.15 27.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.341 -0.849 . . . . 1.1000000000000001 109.642 -178.541 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.69 130.67 34.67 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 1.3600000000000001 108.375 179.128 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 113.35 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.419 -0.801 . . . . 1.1699999999999999 109.309 -179.448 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.7 ttt-85 -74.51 149.62 40.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.736 . . . . 2.79 109.3 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.21 135.12 4.37 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.847 -1.301 . . . . 0.47999999999999998 109.847 179.818 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.8 -46.1 15.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.304 -1.115 . . . . 3.2200000000000002 109.573 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -42.9 86.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.21 109.482 -179.977 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH1' ' H1 ' ' D' ' 2' ' ' HOH . 23.1 ttm180 -62.08 -42.8 99.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.251 -0.906 . . . . 3.5499999999999998 109.359 -179.962 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.6 -56.88 15.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.506 -0.746 . . . . 0.52000000000000002 109.993 -179.731 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.63 -37.9 52.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 1.6799999999999999 110.051 -179.482 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.59 -50.87 67.74 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.14 -0.975 . . . . 1.1499999999999999 110.481 -179.274 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.42 98.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.146 -0.971 . . . . 0.33000000000000002 109.234 -179.486 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.72 -43.6 62.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.2 -0.937 . . . . 3.02 109.436 179.734 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.09 91.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.189 -0.944 . . . . 1.75 109.737 -179.8 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.5 -44.41 97.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.509 -179.725 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -58.05 -48.1 81.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.094 -1.004 . . . . 1.21 109.29 179.823 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.98 -38.42 88.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 1.6899999999999999 109.462 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.94 -52.33 66.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 1.0600000000000001 109.825 -179.774 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.58 -43.97 97.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.915 . . . . 1.0800000000000001 109.331 -179.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.32 -36.71 76.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.246 -0.908 . . . . 1.9299999999999999 109.244 179.628 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.16 -51.77 62.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.436 -0.79 . . . . 1.1399999999999999 109.177 179.811 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.58 -41.99 95.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 109.1 179.797 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -34.75 67.8 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.26 179.795 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.38 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.87 . . . . 1.3100000000000001 109.668 -179.918 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.57 -3.74 54.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 1.3999999999999999 109.666 -179.803 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.44 -85.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 1.5700000000000001 109.227 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.0 76.81 0.56 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.336 -1.506 . . . . 1.53 109.336 179.665 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -85.2 130.84 34.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -1.174 . . . . 4.5800000000000001 109.536 -179.678 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' B' ' 360' ' ' GLY . 28.6 mt-10 -51.27 155.15 2.5 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.348 -0.845 . . . . 5.6799999999999997 109.114 -179.897 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.13 4.99 0.14 Allowed 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.134 1.223 . . . . 6.0499999999999998 110.336 179.369 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 118.008 -1.44 . . . . 7.2000000000000002 109.594 -179.98 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' C' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.301 0.572 . . . . 9.2200000000000006 109.469 . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 54.14 -85.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.321 -0.862 . . . . 8.5099999999999998 109.711 -179.965 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' C' ' 319' ' ' LYS . 18.0 ttpp 56.39 68.17 2.38 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.264 -0.898 . . . . 7.4199999999999999 109.671 -179.981 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.84 -148.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 121.483 1.456 . . . . 5.0499999999999998 109.686 -179.887 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.88 143.03 39.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.054 -1.029 . . . . 5.1399999999999997 109.06 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.77 111.52 14.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.246 -0.909 . . . . 2.8500000000000001 109.932 -179.389 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.545 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.15 155.7 53.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.86 -1.696 . . . . 1.27 108.86 179.551 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' C' ' 326' ' ' GLU . 14.5 mp0 -61.6 121.16 12.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.119 -1.224 . . . . 2.1099999999999999 109.943 -179.74 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 69.5 m-85 -96.67 151.91 19.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.227 -0.921 . . . . 1.01 109.339 179.494 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.17 -175.25 4.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.839 . . . . 0.57999999999999996 109.248 179.928 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.32 146.57 26.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.204 -0.935 . . . . 1.1599999999999999 108.715 -179.757 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.12 132.1 27.78 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.386 -0.821 . . . . 1.1699999999999999 109.707 -178.576 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.64 130.73 34.68 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.408 -0.96 . . . . 1.8100000000000001 108.408 179.033 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.39 113.35 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.529 -0.732 . . . . 1.1299999999999999 109.307 -179.506 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.47 149.53 40.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.57 -0.706 . . . . 2.8199999999999998 109.377 179.675 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.37 134.98 4.41 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.818 -1.313 . . . . 0.45000000000000001 109.818 179.766 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -80.69 -46.18 15.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -1.052 . . . . 3.0800000000000001 109.546 179.921 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.96 -42.88 85.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.862 . . . . 2.54 109.512 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.467 HH11 ' H1 ' ' A' ' 3' ' ' HOH . 23.2 ttm180 -62.13 -42.81 99.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.278 -0.889 . . . . 4.1100000000000003 109.291 -179.935 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.56 -56.94 14.44 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.538 -0.726 . . . . 0.56999999999999995 109.985 -179.692 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.61 -37.81 51.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.024 -179.427 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.65 -50.91 67.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.234 -0.916 . . . . 1.29 110.482 -179.265 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.65 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.117 -0.989 . . . . 0.40000000000000002 109.312 -179.565 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.73 -43.55 62.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.266 -0.896 . . . . 3.8500000000000001 109.44 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.78 109.744 -179.807 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.242 -0.912 . . . . 1.1699999999999999 109.549 -179.741 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.98 -48.23 80.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.069 -1.02 . . . . 1.2 109.227 179.799 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.92 -38.43 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.88 . . . . 2.1200000000000001 109.482 -179.958 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.0 -52.31 66.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.763 -179.768 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.58 -43.93 97.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.386 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.4 -36.62 76.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.907 . . . . 2.0899999999999999 109.189 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.28 -51.7 62.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 1.3799999999999999 109.145 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.65 -41.94 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 109.049 179.807 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -34.77 67.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.3400000000000001 109.285 179.791 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.43 84.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.878 . . . . 1.3 109.612 -179.897 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.53 -3.71 53.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.369 -0.832 . . . . 1.8 109.664 -179.793 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -85.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 1.47 109.233 179.873 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.02 76.73 0.57 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.281 -1.527 . . . . 1.6599999999999999 109.281 179.682 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.09 130.83 34.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.173 . . . . 4.7800000000000002 109.564 -179.756 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' C' ' 360' ' ' GLY . 28.5 mt-10 -51.4 155.24 2.61 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 6.1900000000000004 109.048 -179.845 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.13 4.91 0.15 Allowed 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 121.132 1.221 . . . . 6.1799999999999997 110.361 179.403 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.427 0 CA-C-O 117.932 -1.482 . . . . 6.9000000000000004 109.588 -179.986 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' D' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.406 -0.59 . . . . 7.6900000000000004 109.406 . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 54.12 -85.93 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 7.4500000000000002 109.721 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' D' ' 319' ' ' LYS . 18.0 ttpp 56.4 68.22 2.35 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.162 -0.961 . . . . 6.8399999999999999 109.636 179.957 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.86 -148.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.549 1.5 . . . . 5.1200000000000001 109.668 -179.868 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.92 143.03 39.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.059 -1.026 . . . . 4.6600000000000001 109.016 179.885 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.88 111.64 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 2.46 109.831 -179.359 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.17 155.62 53.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.945 -1.662 . . . . 1.0800000000000001 108.945 179.485 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' D' ' 326' ' ' GLU . 14.5 mp0 -61.49 121.09 11.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.235 . . . . 1.6699999999999999 110.051 -179.842 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 69.9 m-85 -96.59 151.79 19.26 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.179 -0.951 . . . . 1.01 109.383 179.499 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.06 -175.25 4.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.287 -0.883 . . . . 0.63 109.325 179.895 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.205 -0.934 . . . . 1.1299999999999999 108.68 -179.72 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -140.19 132.14 27.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 1.1000000000000001 109.652 -178.555 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.68 130.69 34.67 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.349 -0.982 . . . . 1.3700000000000001 108.349 179.121 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.1 mt -123.37 113.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.493 -0.754 . . . . 1.1499999999999999 109.372 -179.487 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.45 149.57 40.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.592 -0.692 . . . . 2.77 109.307 179.758 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.27 135.08 4.39 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.833 -1.307 . . . . 0.42999999999999999 109.833 179.769 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.76 -46.21 15.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 3.1200000000000001 109.551 179.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.97 -42.9 86.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.533 179.997 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.464 HH11 ' H1 ' ' B' ' 4' ' ' HOH . 23.0 ttm180 -62.11 -42.8 99.59 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.277 -0.889 . . . . 3.5 109.342 -179.97 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.57 -56.87 15.22 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.605 -0.685 . . . . 0.5 110.016 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.62 -37.83 51.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 1.6899999999999999 110.062 -179.449 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.3 ttp -63.69 -50.84 67.61 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.17 -0.956 . . . . 1.1399999999999999 110.47 -179.218 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.36 99.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.007 . . . . 0.32000000000000001 109.293 -179.596 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.8 -43.63 63.16 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.166 -0.959 . . . . 2.96 109.367 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -46.1 91.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 1.75 109.818 -179.83 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.51 -44.37 97.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.22 -0.925 . . . . 1.0800000000000001 109.559 -179.745 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -58.08 -48.16 80.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.109 -0.994 . . . . 1.22 109.22 179.838 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.0 -38.42 88.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.73 109.483 -179.959 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.89 -52.42 65.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.0700000000000001 109.727 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.54 -43.87 98.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.16 -0.963 . . . . 1.1100000000000001 109.412 -179.909 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.51 -36.61 76.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.132 179.685 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.29 -51.64 62.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.1699999999999999 109.174 179.891 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.61 -41.99 95.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 2.1499999999999999 109.166 179.706 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.68 -34.74 67.69 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.6 -0.688 . . . . 1.4399999999999999 109.311 179.715 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.36 84.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.369 -0.832 . . . . 1.3 109.666 -179.927 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.5 -3.72 53.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 1.3999999999999999 109.665 -179.877 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.41 -85.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.922 . . . . 1.6000000000000001 109.256 179.837 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.01 76.82 0.56 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.235 -1.546 . . . . 1.5 109.235 179.691 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.14 130.85 34.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.242 -1.152 . . . . 4.5499999999999998 109.621 -179.859 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' D' ' 360' ' ' GLY . 28.4 mt-10 -51.35 155.12 2.61 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 5.6699999999999999 109.032 -179.843 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.02 4.9 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 121.195 1.263 . . . . 6.1200000000000001 110.367 179.351 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 118.039 -1.423 . . . . 7.2699999999999996 109.62 -179.896 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . 0.467 ' H1 ' HH11 ' C' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . 0.464 ' H1 ' HH11 ' D' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . 0.463 ' H1 ' ' NH1' ' A' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . 0.452 ' H1 ' ' NH1' ' B' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.565 ' C ' ' H ' ' A' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.372 -0.603 . . . . 7.6600000000000001 109.372 . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.28 -26.4 0.14 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.47 -0.769 . . . . 7.5099999999999998 110.023 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 319' ' ' LYS . 53.9 mttp 54.02 70.54 1.68 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.075 -1.016 . . . . 6.8099999999999996 109.578 179.763 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.5 Cg_endo -65.0 9.24 0.17 Allowed 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.595 1.53 . . . . 5.1500000000000004 110.271 -179.809 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.1 mt -80.87 39.85 0.51 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.14 -0.975 . . . . 4.7000000000000002 109.332 179.997 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 322' ' ' PRO . 13.3 m-20 -78.46 -133.24 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.644 -0.66 . . . . 2.48 109.83 -179.59 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.09 154.43 53.11 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 1.0800000000000001 109.879 -179.621 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -59.27 140.75 55.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -1.078 . . . . 1.7 109.511 179.964 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.18 156.04 17.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.903 . . . . 1.04 109.582 179.983 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -137.78 -169.65 2.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.075 179.972 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.3 p -152.58 148.86 27.84 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.99 -1.069 . . . . 1.1399999999999999 109.026 -179.995 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.36 132.94 27.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.37 -0.831 . . . . 1.0900000000000001 109.829 -178.697 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.49 127.63 34.47 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.686 -0.857 . . . . 1.3700000000000001 108.686 179.248 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.4 mt -123.74 117.79 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 121.528 -0.733 . . . . 1.1499999999999999 109.248 -179.688 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.25 149.9 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.587 -0.696 . . . . 2.79 110.131 -179.727 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 135.67 5.51 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.445 -1.062 . . . . 0.45000000000000001 110.445 179.274 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -82.05 -53.16 6.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 3.1600000000000001 109.225 179.575 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.94 -40.23 83.99 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.165 -0.96 . . . . 2.2200000000000002 108.678 179.355 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' C' ' 352' ' ' ASP . 4.8 ttt180 -63.2 -43.47 98.08 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.776 -0.824 . . . . 3.54 108.776 179.58 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -53.16 60.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.685 -0.634 . . . . 0.5 109.631 179.764 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.06 -36.29 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.031 -179.502 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.97 -50.17 71.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.141 -0.975 . . . . 1.1499999999999999 110.314 -179.205 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.99 -44.48 97.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.34000000000000002 109.289 -179.778 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.941 . . . . 2.9399999999999999 109.477 179.804 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.52 -45.0 95.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 1.74 109.833 -179.7 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.8 -46.16 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 1.0700000000000001 109.224 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.58 -48.65 80.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.173 -0.954 . . . . 1.22 109.345 179.754 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.79 -41.86 99.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 1.72 109.746 -179.843 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.24 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.845 . . . . 1.0700000000000001 109.808 -179.674 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.41 -43.1 99.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.181 -0.95 . . . . 1.0800000000000001 109.18 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -34.78 73.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 1.9099999999999999 109.183 179.53 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.71 -49.09 74.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.1499999999999999 109.608 -179.847 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.27 -40.97 97.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 2.1400000000000001 108.926 179.819 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' C' ' 337' ' ' ARG . 56.4 m-20 -56.58 -32.19 64.96 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.508 179.761 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.95 60.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 1.3 109.715 -179.844 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.96 -2.13 46.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.4199999999999999 109.569 -179.893 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.551 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.1 -80.82 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.334 -0.854 . . . . 1.5800000000000001 109.649 -179.906 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.07 11.77 0.28 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.31 -1.116 . . . . 1.54 110.31 -179.565 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 355' ' ' ALA . 26.0 tptp -84.82 -90.8 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.993 -1.298 . . . . 4.5499999999999998 109.129 179.915 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -51.42 151.37 5.47 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 5.71 109.024 -179.961 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -55.41 104.87 0.13 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 120.997 1.131 . . . . 6.0899999999999999 109.94 179.57 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.936 -1.48 . . . . 7.2400000000000002 109.481 179.991 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.568 ' C ' ' H ' ' B' ' 321' ' ' LYS . 33.0 pttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.352 -0.61 . . . . 7.6699999999999999 109.352 . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.27 -26.39 0.14 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 7.46 109.999 179.999 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.568 ' H ' ' C ' ' B' ' 319' ' ' LYS . 53.9 mttp 53.86 70.66 1.64 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 6.79 109.6 179.891 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.6 Cg_endo -65.05 9.18 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.605 1.537 . . . . 5.1500000000000004 110.171 -179.794 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.0 mt -80.79 39.88 0.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 4.6600000000000001 109.399 179.93 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' B' ' 322' ' ' PRO . 13.3 m-20 -78.51 -133.46 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.686 -0.634 . . . . 2.4700000000000002 109.781 -179.582 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.83 154.29 53.02 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.92 -1.272 . . . . 1.0600000000000001 109.92 -179.621 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -59.13 140.72 55.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -1.083 . . . . 1.6100000000000001 109.433 179.91 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.24 156.06 17.05 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.96999999999999997 109.533 -179.964 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -137.87 -169.8 2.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.408 -0.807 . . . . 0.59999999999999998 108.974 179.982 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.5 148.9 27.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.098 -1.001 . . . . 1.1000000000000001 109.041 -179.944 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.44 132.83 26.72 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.359 -0.838 . . . . 1.1000000000000001 109.789 -178.606 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.45 127.7 34.48 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.723 -0.843 . . . . 1.3600000000000001 108.723 179.218 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.79 117.84 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.389 -0.819 . . . . 1.1699999999999999 109.234 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.36 149.88 38.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.647 -0.658 . . . . 2.79 110.12 -179.625 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.04 135.62 5.52 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.43 -1.068 . . . . 0.47999999999999998 110.43 179.325 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.95 -53.18 6.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.359 -1.083 . . . . 3.2200000000000002 109.171 179.567 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -59.09 -40.09 84.2 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.076 -1.015 . . . . 2.21 108.704 179.472 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.412 ' NH1' ' OD2' ' D' ' 352' ' ' ASP . 4.9 ttt180 -63.2 -43.48 98.04 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.8 -0.815 . . . . 3.5499999999999998 108.8 179.491 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.56 -53.25 59.71 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.686 -0.634 . . . . 0.52000000000000002 109.632 179.725 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.95 -36.29 37.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 1.6799999999999999 110.142 -179.57 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.01 -50.08 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.187 -0.946 . . . . 1.1499999999999999 110.364 -179.241 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.01 -44.61 97.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.078 -1.014 . . . . 0.33000000000000002 109.246 -179.805 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 3.02 109.374 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.35 -45.16 94.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.192 -0.942 . . . . 1.75 109.818 -179.747 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.81 -46.16 90.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.231 -179.955 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -58.64 -48.48 80.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.21 109.395 179.693 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.88 -41.86 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -0.846 . . . . 1.6899999999999999 109.718 -179.835 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.25 66.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 1.0600000000000001 109.888 -179.74 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.58 -43.07 99.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.09 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.88 -34.77 73.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.932 . . . . 1.9299999999999999 109.176 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.74 -49.0 74.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.574 -179.838 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.38 -40.94 98.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.33 -0.856 . . . . 2.1899999999999999 108.878 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH1' ' D' ' 337' ' ' ARG . 56.4 m-20 -56.65 -32.08 65.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.711 -0.618 . . . . 1.4299999999999999 109.526 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -50.91 59.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.268 -0.895 . . . . 1.3100000000000001 109.682 -179.826 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.99 -2.11 46.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 1.3999999999999999 109.541 -179.888 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -71.04 -80.73 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 1.5700000000000001 109.744 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.13 11.77 0.29 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.27 -1.132 . . . . 1.53 110.27 -179.62 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' B' ' 355' ' ' ALA . 26.0 tptp -84.84 -90.91 0.09 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.059 -1.259 . . . . 4.5800000000000001 109.097 179.922 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.43 151.5 5.37 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 5.6799999999999997 109.006 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -55.44 104.9 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 120.978 1.119 . . . . 6.0499999999999998 109.926 179.528 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.483 -1.447 . . . . 7.2000000000000002 109.483 179.925 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' C' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.425 -0.583 . . . . 9.2200000000000006 109.425 . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.27 -26.3 0.14 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.759 . . . . 8.5099999999999998 109.988 -179.972 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.567 ' H ' ' C ' ' C' ' 319' ' ' LYS . 53.9 mttp 53.84 70.63 1.66 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.072 -1.018 . . . . 7.4199999999999999 109.639 179.853 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.6 Cg_endo -65.07 9.34 0.17 Allowed 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.515 1.477 . . . . 5.0499999999999998 110.256 -179.804 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.2 mt -80.91 39.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.084 -1.01 . . . . 5.1399999999999997 109.388 179.937 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' C' ' 322' ' ' PRO . 13.2 m-20 -78.56 -133.31 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.664 -0.647 . . . . 2.8500000000000001 109.823 -179.571 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.0 154.33 53.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.866 -1.294 . . . . 1.27 109.866 -179.598 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -59.14 140.73 55.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.367 -1.078 . . . . 2.1099999999999999 109.423 179.951 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.23 156.21 16.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.88 . . . . 1.01 109.532 -179.992 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.95 -169.8 2.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.343 -0.848 . . . . 0.57999999999999996 108.982 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.53 148.84 27.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 1.1599999999999999 109.026 -179.997 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.37 132.87 26.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 109.857 -178.713 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.42 127.61 34.44 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.7 -0.852 . . . . 1.8100000000000001 108.7 179.268 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.72 117.82 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.491 -0.755 . . . . 1.1299999999999999 109.215 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.26 149.89 38.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.625 -0.672 . . . . 2.8199999999999998 110.07 -179.695 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 135.51 5.48 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.436 -1.066 . . . . 0.45000000000000001 110.436 179.209 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.8 -53.23 6.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.372 -1.075 . . . . 3.0800000000000001 109.221 179.529 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -59.03 -40.06 83.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.068 -1.02 . . . . 2.54 108.633 179.501 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 352' ' ' ASP . 4.8 ttt180 -63.36 -43.39 97.81 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.73 -0.841 . . . . 4.1100000000000003 108.73 179.621 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -56.65 -53.17 60.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.747 -0.596 . . . . 0.56999999999999995 109.631 179.691 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -51.0 -36.28 38.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.889 . . . . 1.6599999999999999 110.107 -179.56 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.0 -50.18 71.74 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.092 -1.005 . . . . 1.29 110.354 -179.24 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.94 -44.56 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.039 -1.038 . . . . 0.40000000000000002 109.292 -179.852 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.43 -41.54 60.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.214 -0.929 . . . . 3.8500000000000001 109.413 179.844 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.41 -45.18 94.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.895 . . . . 1.78 109.802 -179.782 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.69 -46.14 90.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 1.1699999999999999 109.299 -179.993 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -58.64 -48.5 80.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.331 -0.855 . . . . 1.2 109.334 179.746 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.96 -41.78 99.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.737 -179.822 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.33 66.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 1.0700000000000001 109.845 -179.728 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -43.26 99.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 1.1399999999999999 109.127 179.99 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.75 -34.84 73.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 2.0899999999999999 109.144 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.71 -49.1 74.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.356 -0.84 . . . . 1.3799999999999999 109.546 -179.832 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 2.6800000000000002 108.938 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 337' ' ' ARG . 56.5 m-20 -56.64 -32.02 64.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.57 -0.706 . . . . 1.3400000000000001 109.547 179.786 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.23 -50.85 59.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.837 . . . . 1.3 109.712 -179.838 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.93 -2.22 46.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.95 . . . . 1.8 109.53 -179.941 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.555 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -71.09 -80.71 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.857 . . . . 1.47 109.71 -179.854 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.03 11.68 0.28 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.29 -1.124 . . . . 1.6599999999999999 110.29 -179.648 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.555 ' H ' ' C ' ' C' ' 355' ' ' ALA . 26.0 tptp -84.8 -90.85 0.09 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.944 -1.327 . . . . 4.7800000000000002 109.129 179.95 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -51.42 151.38 5.45 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.936 . . . . 6.1900000000000004 109.074 -179.977 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -55.36 104.9 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.007 1.138 . . . . 6.1799999999999997 109.908 179.549 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 118.007 -1.44 . . . . 6.9000000000000004 109.53 179.915 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.565 ' C ' ' H ' ' D' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.365 -0.605 . . . . 7.6900000000000004 109.365 . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.22 -26.27 0.13 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.483 -0.76 . . . . 7.4500000000000002 110.069 -179.93 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' D' ' 319' ' ' LYS . 53.9 mttp 53.83 70.64 1.65 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.042 -1.036 . . . . 6.8399999999999999 109.635 179.812 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.6 Cg_endo -65.08 9.29 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.084 0 C-N-CA 121.574 1.516 . . . . 5.1200000000000001 110.149 -179.755 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.2 mt -80.93 39.93 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.195 -0.941 . . . . 4.6600000000000001 109.305 179.985 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' D' ' 322' ' ' PRO . 13.3 m-20 -78.55 -133.38 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.641 -0.662 . . . . 2.46 109.828 -179.611 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.91 154.36 53.05 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.846 -1.302 . . . . 1.0800000000000001 109.846 -179.616 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.2 140.75 55.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.38 -1.071 . . . . 1.6699999999999999 109.455 179.927 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.26 156.14 17.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 1.01 109.583 179.991 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -137.84 -169.61 2.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.63 109.053 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.67 148.66 27.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.034 -1.041 . . . . 1.1299999999999999 109.026 -179.907 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -141.3 132.87 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.434 -0.791 . . . . 1.1000000000000001 109.895 -178.738 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.34 127.64 34.42 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.739 -0.838 . . . . 1.3700000000000001 108.739 179.251 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.69 117.84 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.508 -0.745 . . . . 1.1499999999999999 109.198 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.32 149.97 38.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 2.77 110.104 -179.753 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 135.69 5.5 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.4 -1.08 . . . . 0.42999999999999999 110.4 179.204 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.93 -53.23 6.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.418 -1.048 . . . . 3.1200000000000001 109.235 179.55 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.96 -40.15 83.85 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.157 -0.964 . . . . 2.2200000000000002 108.657 179.476 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH1' ' OD2' ' B' ' 352' ' ' ASP . 4.8 ttt180 -63.28 -43.43 97.95 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.759 -0.83 . . . . 3.5 108.759 179.604 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -56.65 -53.19 60.57 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.698 -0.626 . . . . 0.5 109.547 179.823 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.03 -36.23 38.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 1.6899999999999999 110.126 -179.528 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.06 -50.16 71.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.096 -1.002 . . . . 1.1399999999999999 110.285 -179.223 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.92 -44.56 97.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.32000000000000001 109.27 -179.801 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -51.4 -41.58 60.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 2.96 109.438 179.826 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.38 -45.18 94.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.909 . . . . 1.75 109.829 -179.77 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.7 -46.13 91.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 1.0800000000000001 109.309 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.64 -48.57 80.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.22 109.333 179.736 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.85 -41.79 99.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.73 109.726 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.2 66.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.888 -179.724 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.44 -43.25 99.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.146 -0.971 . . . . 1.1100000000000001 109.116 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.84 -34.8 73.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 1.9099999999999999 109.135 179.538 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.67 -49.08 74.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.328 -0.858 . . . . 1.1699999999999999 109.614 -179.895 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.34 -40.97 98.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 2.1499999999999999 108.868 179.818 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD2' ' NH1' ' B' ' 337' ' ' ARG . 56.1 m-20 -56.71 -32.04 65.09 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.684 -0.635 . . . . 1.4399999999999999 109.495 179.874 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.9 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 1.3 109.729 -179.876 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.99 -2.13 46.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 1.3999999999999999 109.522 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.545 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -71.11 -80.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 1.6000000000000001 109.709 -179.881 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.13 11.71 0.29 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.307 -1.117 . . . . 1.5 110.307 -179.618 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.545 ' H ' ' C ' ' D' ' 355' ' ' ALA . 26.0 tptp -84.86 -90.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.983 -1.304 . . . . 4.5499999999999998 109.132 179.993 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.35 151.4 5.29 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.134 -0.979 . . . . 5.6699999999999999 109.086 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -55.47 104.92 0.14 Allowed 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 121.021 1.147 . . . . 6.1200000000000001 109.867 179.566 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.027 -1.43 . . . . 7.2699999999999996 109.605 179.854 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.425 -0.584 . . . . 7.6600000000000001 109.425 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 321' ' ' LYS . 72.7 mttt 55.09 74.36 0.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.205 -0.935 . . . . 7.5099999999999998 109.356 -179.921 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 320' ' ' LYS . 39.7 mttp 57.49 152.93 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.881 0 N-CA-C 109.531 -0.544 . . . . 6.8099999999999996 109.531 179.949 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.9 Cg_endo -57.44 -155.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.047 1.165 . . . . 5.1500000000000004 109.702 179.43 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.84 165.64 23.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.118 -0.989 . . . . 4.7000000000000002 109.042 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.8 -155.28 0.13 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.857 . . . . 2.48 109.697 -179.72 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 173.18 35.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.859 -1.296 . . . . 1.0800000000000001 109.859 -179.863 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.24 140.93 55.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -1.122 . . . . 1.7 109.632 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -94.83 155.42 16.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.212 -0.93 . . . . 1.04 109.894 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -138.57 -174.91 3.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.65000000000000002 108.985 179.639 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.43 118.25 5.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 1.1399999999999999 109.061 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -109.38 136.54 48.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.679 -0.638 . . . . 1.0900000000000001 109.913 -178.731 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.78 128.78 35.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.384 -0.822 . . . . 1.3700000000000001 108.906 179.147 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.93 117.13 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.399 -0.813 . . . . 1.1499999999999999 109.432 -179.671 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.01 155.78 34.63 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.612 -0.68 . . . . 2.79 109.931 179.973 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 144.64 7.08 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.175 -1.17 . . . . 0.45000000000000001 110.175 179.167 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.563 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.6 OUTLIER -81.71 -50.32 9.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.984 . . . . 3.1600000000000001 109.218 179.662 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.16 -40.56 81.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 2.2200000000000002 109.229 179.766 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.607 ' CB ' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.24 73.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.462 -0.774 . . . . 3.54 109.588 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -54.46 -58.28 8.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.517 -0.74 . . . . 0.5 109.596 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.49 -41.05 60.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.677 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.22 -51.75 62.17 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.251 -0.906 . . . . 1.1499999999999999 110.216 -179.295 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.59 -46.59 89.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 0.34000000000000002 108.954 -179.697 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -49.99 -42.31 48.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.324 179.611 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.09 -44.66 91.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.267 -0.896 . . . . 1.74 109.737 -179.833 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.65 -46.47 89.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.955 . . . . 1.0700000000000001 109.161 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.43 -50.43 73.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.483 -0.761 . . . . 1.22 109.547 179.914 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.39 -35.8 80.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 1.72 109.621 -179.934 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -55.97 27.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.414 -0.804 . . . . 1.0700000000000001 110.021 -179.696 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 1.0800000000000001 109.307 -179.766 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.89 -38.42 78.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.9099999999999999 109.111 179.85 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.58 -45.77 91.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.357 -0.839 . . . . 1.1499999999999999 108.853 179.715 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.91 -52.3 60.48 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.806 0.812 . . . . 2.1400000000000001 108.861 179.207 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -55.18 -34.78 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.27 -0.641 . . . . 1.4299999999999999 109.27 179.864 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.47 69.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 1.3 109.301 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.74 -12.93 55.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 1.4199999999999999 109.407 179.946 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.01 65.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 1.5800000000000001 109.716 -179.863 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.79 -2.88 90.37 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.692 -1.363 . . . . 1.54 109.692 -179.818 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.88 113.24 22.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -1.141 . . . . 4.5499999999999998 109.605 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 360' ' ' GLY . 0.9 OUTLIER -51.11 156.7 1.71 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.302 -0.874 . . . . 5.71 108.696 179.898 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.77 3.01 0.24 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 121.049 1.166 . . . . 6.0899999999999999 110.139 179.415 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.455 -1.458 . . . . 7.2400000000000002 109.455 -179.923 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.405 -0.591 . . . . 7.6699999999999999 109.405 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 321' ' ' LYS . 72.8 mttt 55.06 74.35 0.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 7.46 109.334 -179.953 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 320' ' ' LYS . 39.7 mttp 57.44 153.0 0.08 OUTLIER Pre-proline 0 N--CA 1.498 1.926 0 N-CA-C 109.533 -0.543 . . . . 6.79 109.533 -179.995 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.9 Cg_endo -57.52 -155.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 121.011 1.14 . . . . 5.1500000000000004 109.742 179.449 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.82 165.54 24.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 4.6600000000000001 109.033 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.69 -155.33 0.13 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 2.4700000000000002 109.752 -179.806 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.78 173.12 34.95 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.762 -1.335 . . . . 1.0600000000000001 109.762 -179.829 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -59.3 140.96 55.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -1.121 . . . . 1.6100000000000001 109.647 -180.0 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.82 155.44 16.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.228 -0.92 . . . . 0.96999999999999997 109.835 -179.966 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.64 -175.0 3.98 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.83 . . . . 0.59999999999999998 108.989 179.71 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 36.0 p -152.46 118.24 5.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.162 -0.961 . . . . 1.1000000000000001 109.073 -179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -109.38 136.5 48.71 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.44 0.638 . . . . 1.1000000000000001 109.896 -178.707 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.74 128.77 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 1.3600000000000001 108.896 179.154 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.96 117.2 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 121.47 -0.769 . . . . 1.1699999999999999 109.414 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -76.04 155.8 34.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.597 -0.689 . . . . 2.79 109.929 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.66 7.07 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.187 -1.165 . . . . 0.47999999999999998 110.187 179.163 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.543 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.6 OUTLIER -81.72 -50.31 9.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -1.019 . . . . 3.2200000000000002 109.269 179.644 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.15 -40.56 81.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -0.809 . . . . 2.21 109.216 179.763 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.604 ' CB ' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.3 73.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.432 -0.793 . . . . 3.5499999999999998 109.512 -179.994 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.39 -58.26 8.1 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.428 -0.795 . . . . 0.52000000000000002 109.577 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.58 -40.94 60.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.254 -0.904 . . . . 1.6799999999999999 109.749 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.3 -51.62 62.58 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 110.275 -179.369 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.62 -46.57 89.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.091 -1.006 . . . . 0.33000000000000002 109.005 -179.731 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -50.01 -42.22 48.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 3.02 109.346 179.606 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.19 -44.52 92.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.75 109.762 -179.849 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.63 -46.49 89.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 109.223 179.764 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.51 -50.37 74.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 1.21 109.625 179.859 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.38 -35.87 80.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.543 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.41 -55.98 27.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 1.0600000000000001 109.985 -179.669 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -60.64 -40.0 90.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 1.0800000000000001 109.328 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.94 -38.23 78.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.892 . . . . 1.9299999999999999 109.212 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.83 -45.65 91.63 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.804 -0.813 . . . . 1.1399999999999999 108.804 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.99 -52.32 60.14 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.853 -0.795 . . . . 2.1899999999999999 108.853 179.21 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.1 -34.82 64.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.323 -0.621 . . . . 1.4299999999999999 109.323 179.779 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.52 69.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 1.3100000000000001 109.293 179.903 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.63 -13.04 55.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.3999999999999999 109.467 179.957 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -32.08 66.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 1.5700000000000001 109.806 -179.925 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 -2.9 90.3 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.692 -1.363 . . . . 1.53 109.692 -179.799 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.91 113.16 22.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.251 -1.146 . . . . 4.5800000000000001 109.565 -179.948 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 360' ' ' GLY . 0.9 OUTLIER -51.03 156.61 1.68 Allowed Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.761 -0.829 . . . . 5.6799999999999997 108.761 179.86 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.76 3.04 0.24 Allowed 'Trans proline' 0 C--N 1.323 -0.806 0 C-N-CA 121.105 1.203 . . . . 6.0499999999999998 110.146 179.436 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.978 -1.457 . . . . 7.2000000000000002 109.481 179.996 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.433 -0.58 . . . . 9.2200000000000006 109.433 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' C' ' 321' ' ' LYS . 72.7 mttt 55.05 74.37 0.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.23 -0.919 . . . . 8.5099999999999998 109.364 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' C' ' 320' ' ' LYS . 40.0 mttp 57.46 152.98 0.08 OUTLIER Pre-proline 0 N--CA 1.496 1.864 0 N-CA-C 109.631 -0.507 . . . . 7.4199999999999999 109.631 -179.973 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.9 Cg_endo -57.46 -155.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 121.111 1.208 . . . . 5.0499999999999998 109.711 179.469 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.72 165.58 24.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.988 . . . . 5.1399999999999997 109.107 179.73 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.77 -155.25 0.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.404 -0.81 . . . . 2.8500000000000001 109.704 -179.799 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 173.25 35.2 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.883 -1.287 . . . . 1.27 109.883 -179.857 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -59.36 140.92 55.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -1.094 . . . . 2.1099999999999999 109.598 -179.914 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.8 155.6 16.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.303 -0.873 . . . . 1.01 109.753 -179.936 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.72 -175.02 3.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.365 -0.834 . . . . 0.57999999999999996 108.935 179.694 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 36.1 p -152.43 118.28 5.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 1.1599999999999999 109.1 179.984 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.41 136.47 48.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.663 -0.648 . . . . 1.1699999999999999 109.876 -178.648 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.65 128.75 35.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.8100000000000001 108.902 179.09 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.98 117.1 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.487 -0.758 . . . . 1.1299999999999999 109.456 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.02 155.81 34.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.579 -0.701 . . . . 2.8199999999999998 109.945 -179.993 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.72 7.11 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.252 -1.139 . . . . 0.45000000000000001 110.252 179.214 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.6 OUTLIER -81.8 -50.35 9.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 3.0800000000000001 109.168 179.708 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -58.12 -40.52 81.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 2.54 109.227 179.789 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.607 ' CB ' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -50.25 73.41 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.42 -0.8 . . . . 4.1100000000000003 109.489 -179.964 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -54.43 -58.3 7.99 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.578 -0.701 . . . . 0.56999999999999995 109.581 -179.962 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.48 -41.04 60.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.753 -179.929 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.221 -0.924 . . . . 1.29 110.236 -179.345 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.48 -46.63 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.11 -0.994 . . . . 0.40000000000000002 109.021 -179.768 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -50.04 -42.23 49.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.8500000000000001 109.312 179.654 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.15 -44.62 92.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.78 109.763 -179.861 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.58 -46.61 89.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.149 -0.969 . . . . 1.1699999999999999 109.138 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.323 -0.861 . . . . 1.2 109.598 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 2.1200000000000001 109.558 -179.893 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.33 -56.05 27.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 1.0700000000000001 109.952 -179.661 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.67 -40.0 90.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.938 . . . . 1.1399999999999999 109.268 -179.667 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.97 -38.29 78.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.925 . . . . 2.0899999999999999 109.163 179.782 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.85 -45.52 92.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.824 . . . . 1.3799999999999999 108.783 179.785 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -64.04 -52.34 59.89 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.764 0.793 . . . . 2.6800000000000002 108.895 179.114 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.13 -34.73 64.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.35 -0.611 . . . . 1.3400000000000001 109.35 179.758 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.49 69.3 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 1.3 109.372 179.83 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.75 -12.88 55.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 1.8 109.413 179.938 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.04 65.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.357 -0.839 . . . . 1.47 109.75 -179.875 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.79 -2.8 90.31 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.712 -1.355 . . . . 1.6599999999999999 109.712 -179.874 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.96 113.27 22.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.26 -1.141 . . . . 4.7800000000000002 109.593 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' C' ' 360' ' ' GLY . 0.9 OUTLIER -51.14 156.68 1.74 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.233 -0.917 . . . . 6.1900000000000004 108.671 179.96 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.75 3.05 0.23 Allowed 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.038 1.159 . . . . 6.1799999999999997 110.21 179.352 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.964 -1.465 . . . . 6.9000000000000004 109.565 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.415 -0.587 . . . . 7.6900000000000004 109.415 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' D' ' 321' ' ' LYS . 72.7 mttt 54.95 74.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 7.4500000000000002 109.34 -179.913 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' D' ' 320' ' ' LYS . 39.8 mttp 57.45 153.02 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.906 0 N-CA-C 109.513 -0.551 . . . . 6.8399999999999999 109.513 179.947 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' D' ' 321' ' ' LYS . 1.9 Cg_endo -57.47 -155.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.031 1.154 . . . . 5.1200000000000001 109.672 179.438 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.81 165.55 24.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 4.6600000000000001 109.006 179.84 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.84 -155.23 0.13 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.393 -0.817 . . . . 2.46 109.739 -179.805 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 173.19 35.21 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.837 -1.305 . . . . 1.0800000000000001 109.837 -179.772 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -59.26 140.94 55.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.35 -1.088 . . . . 1.6699999999999999 109.595 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.91 155.52 16.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 1.01 109.776 -179.919 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.67 -175.0 3.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.409 -0.807 . . . . 0.63 108.98 179.656 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.42 118.49 5.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.23 -0.919 . . . . 1.1299999999999999 109.011 179.972 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.58 136.53 48.81 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.41 0.624 . . . . 1.1000000000000001 109.85 -178.722 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.71 128.68 35.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.375 -0.828 . . . . 1.3700000000000001 108.874 179.15 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.93 117.11 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.396 -0.815 . . . . 1.1499999999999999 109.472 -179.749 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -75.99 155.66 34.79 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.618 -0.676 . . . . 2.77 109.961 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.2 144.63 7.18 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.26 -1.136 . . . . 0.42999999999999999 110.26 179.196 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.6 OUTLIER -81.66 -50.42 9.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -1.058 . . . . 3.1200000000000001 109.227 179.663 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.03 -40.61 81.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.279 179.752 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.601 ' CB ' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -50.16 73.7 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.352 -0.843 . . . . 3.5 109.529 -179.98 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.54 -58.19 8.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.48 -0.762 . . . . 0.5 109.586 -179.97 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.48 -41.06 60.66 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.272 -0.893 . . . . 1.6899999999999999 109.718 -179.95 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -64.2 -51.75 62.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.173 -0.954 . . . . 1.1399999999999999 110.315 -179.343 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.61 -46.44 89.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.191 -0.943 . . . . 0.32000000000000001 109.072 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.11 -42.2 49.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.245 -0.91 . . . . 2.96 109.268 179.555 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.16 -44.57 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 1.75 109.734 -179.824 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.69 -46.47 89.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -0.921 . . . . 1.0800000000000001 109.148 179.856 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.48 -50.37 73.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.327 -0.858 . . . . 1.22 109.598 179.9 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.47 -35.74 80.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 1.73 109.586 -179.927 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.46 -55.85 29.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 110.051 -179.737 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.82 -39.91 90.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 1.1100000000000001 109.268 -179.705 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.95 -38.38 78.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.165 179.75 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.76 -45.55 92.15 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.788 -0.819 . . . . 1.1699999999999999 108.788 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -64.08 -52.21 60.35 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.751 0.786 . . . . 2.1499999999999999 108.898 179.151 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.16 -34.83 64.15 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 109.329 -0.619 . . . . 1.4399999999999999 109.329 179.742 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.55 69.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 1.3 109.336 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.78 -12.81 55.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.345 -0.847 . . . . 1.3999999999999999 109.436 179.976 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.08 65.71 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.6000000000000001 109.664 -179.866 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.78 -2.9 90.38 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.667 -1.373 . . . . 1.5 109.667 -179.79 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.9 113.25 22.53 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -1.119 . . . . 4.5499999999999998 109.566 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' D' ' 360' ' ' GLY . 0.9 OUTLIER -51.12 156.7 1.72 Allowed Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.746 -0.835 . . . . 5.6699999999999999 108.746 179.859 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.8 3.04 0.24 Allowed 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.038 1.159 . . . . 6.1200000000000001 110.167 179.435 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 118.009 -1.439 . . . . 7.2699999999999996 109.55 179.961 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.527 -0.546 . . . . 7.6600000000000001 109.527 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 57.98 11.26 1.39 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.485 -0.759 . . . . 7.5099999999999998 109.79 -179.978 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' A' ' 323' ' ' LEU . 99.0 mttt 51.19 81.26 0.26 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.236 -0.915 . . . . 6.8099999999999996 109.778 179.439 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.9 Cg_endo -66.5 11.98 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 121.36 1.373 . . . . 5.1500000000000004 110.039 -179.697 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.7 mt -80.69 37.58 0.42 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.177 -0.952 . . . . 4.7000000000000002 109.327 179.953 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 322' ' ' PRO . 15.1 m-20 -77.74 -148.68 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.657 -0.652 . . . . 2.48 109.788 -179.601 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 149.83 49.96 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.004 -1.238 . . . . 1.0800000000000001 110.004 -179.615 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.65 134.93 57.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.401 -1.058 . . . . 1.7 109.685 -179.969 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 38.3 m-85 -95.68 158.18 15.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.289 -0.882 . . . . 1.04 109.455 179.674 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -139.62 140.05 36.87 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.425 -0.797 . . . . 0.65000000000000002 108.961 179.428 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.75 161.33 13.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 1.1399999999999999 109.562 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.7 tp -148.55 134.02 18.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 1.0900000000000001 109.998 -179.411 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.08 131.63 34.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.483 -0.76 . . . . 1.3700000000000001 109.531 179.588 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.9 mt -124.12 117.02 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 N-CA-C 108.921 -0.77 . . . . 1.1499999999999999 108.921 179.725 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.45 148.79 38.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -0.845 . . . . 2.79 109.895 -179.841 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.99 139.85 5.41 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.131 -1.188 . . . . 0.45000000000000001 110.131 179.261 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -84.05 -46.27 12.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -1.051 . . . . 3.1600000000000001 109.283 179.743 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.01 -38.39 76.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 2.2200000000000002 109.07 179.813 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -61.8 -37.14 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.422 -0.799 . . . . 3.54 109.426 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -56.16 -52.08 65.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.451 -0.781 . . . . 0.5 109.792 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -52.52 -38.3 59.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.241 -0.912 . . . . 1.6599999999999999 109.794 -179.69 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.66 14.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.186 -0.946 . . . . 1.1499999999999999 110.238 -179.407 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.04 -44.07 97.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.34000000000000002 108.574 179.924 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.8 OUTLIER -51.49 -42.53 61.74 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.453 -0.78 . . . . 2.9399999999999999 109.454 179.541 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -60.03 -52.87 63.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.74 109.606 -179.796 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.12 -37.3 79.62 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.256 -0.902 . . . . 1.0700000000000001 108.579 179.638 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.36 -55.79 30.48 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.461 -0.774 . . . . 1.22 109.42 179.536 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.98 -32.88 74.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 1.72 109.519 179.911 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.35 69.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.605 -179.862 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.38 -47.68 84.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 1.0800000000000001 109.356 179.81 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.7 -35.98 73.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 1.9099999999999999 109.234 179.823 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.11 -49.02 73.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.333 179.84 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.6 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 2.1400000000000001 108.984 179.92 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.76 -34.11 67.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.482 179.742 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.6 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.339 -0.85 . . . . 1.3 109.716 -179.827 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 64.4 mt-30 -81.27 -2.97 51.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.4199999999999999 109.536 -179.857 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.23 55.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.313 -0.867 . . . . 1.5800000000000001 109.593 179.994 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.68 -1.51 83.51 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.608 -1.397 . . . . 1.54 109.608 -179.947 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.22 148.54 25.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.229 -1.16 . . . . 4.5499999999999998 109.275 179.987 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -49.55 149.26 4.29 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 5.71 108.962 -179.919 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.72 129.92 37.6 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 120.868 1.045 . . . . 6.0899999999999999 109.877 179.594 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.998 -1.445 . . . . 7.2400000000000002 109.592 -179.937 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.407 -0.59 . . . . 7.6699999999999999 109.407 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 57.99 11.22 1.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 7.46 109.808 179.951 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.547 ' C ' ' H ' ' B' ' 323' ' ' LEU . 99.0 mttt 51.18 81.2 0.27 Allowed Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 6.79 109.837 179.501 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.8 Cg_endo -66.41 11.95 0.16 Allowed 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 121.4 1.4 . . . . 5.1500000000000004 110.111 -179.725 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.547 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.9 mt -80.71 37.51 0.42 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 4.6600000000000001 109.408 179.947 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' B' ' 322' ' ' PRO . 14.9 m-20 -77.73 -148.83 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.698 -0.627 . . . . 2.4700000000000002 109.821 -179.6 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 149.71 50.08 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.967 -1.253 . . . . 1.0600000000000001 109.967 -179.592 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.51 134.94 57.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.485 -1.009 . . . . 1.6100000000000001 109.638 179.909 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.9 m-85 -95.69 158.13 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.218 -0.926 . . . . 0.96999999999999997 109.481 179.64 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.0 36.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.33 -0.856 . . . . 0.59999999999999998 109.032 179.406 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -97.74 161.43 13.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.269 -0.895 . . . . 1.1000000000000001 109.523 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.64 134.01 18.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.862 . . . . 1.1000000000000001 109.893 -179.353 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.49 34.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 1.3600000000000001 109.493 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 61.5 mt -123.91 116.99 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.942 -0.762 . . . . 1.1699999999999999 108.942 179.692 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 2.79 109.995 -179.937 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.86 5.47 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.119 -1.192 . . . . 0.47999999999999998 110.119 179.266 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -84.14 -46.19 12.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -1.046 . . . . 3.2200000000000002 109.327 179.719 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -58.1 -38.25 76.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 2.21 109.155 179.768 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -61.78 -37.14 83.23 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.379 -0.826 . . . . 3.5499999999999998 109.526 179.735 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.19 -52.09 65.66 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.778 . . . . 0.52000000000000002 109.754 -179.957 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.47 -38.38 59.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.76 -179.631 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.53 15.69 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 110.242 -179.326 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.14 -44.05 97.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 0.33000000000000002 108.493 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.407 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.8 OUTLIER -51.52 -42.62 61.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.434 -0.791 . . . . 3.02 109.345 179.59 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -60.06 -52.82 63.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -0.917 . . . . 1.75 109.58 -179.717 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.508 -0.923 . . . . 1.0700000000000001 108.508 179.618 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.26 -55.84 29.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.459 -0.776 . . . . 1.21 109.378 179.573 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.95 -32.89 74.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.524 179.967 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.55 -51.4 69.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.362 -0.836 . . . . 1.0600000000000001 109.641 -179.901 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.35 -47.76 84.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -0.873 . . . . 1.0800000000000001 109.331 179.832 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.178 -0.951 . . . . 1.9299999999999999 109.233 179.835 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.13 -49.12 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.399 -0.813 . . . . 1.1399999999999999 109.247 179.961 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.49 -43.41 98.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.411 -0.805 . . . . 2.1899999999999999 108.964 179.968 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.77 -34.21 67.38 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.597 -0.689 . . . . 1.4299999999999999 109.346 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.7 82.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.3100000000000001 109.712 -179.802 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 64.7 mt-30 -81.23 -3.02 51.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 1.3999999999999999 109.518 -179.87 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -48.27 55.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 1.5700000000000001 109.576 179.976 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.72 -1.58 83.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.612 -1.395 . . . . 1.53 109.612 -179.859 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.06 148.53 25.68 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -1.172 . . . . 4.5800000000000001 109.334 179.912 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -49.52 149.22 4.28 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.32 -0.863 . . . . 5.6799999999999997 108.892 -179.969 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.64 129.92 37.51 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 120.899 1.066 . . . . 6.0499999999999998 109.809 179.53 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.523 -1.431 . . . . 7.2000000000000002 109.523 179.938 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.42 -0.585 . . . . 9.2200000000000006 109.42 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 58.04 11.19 1.39 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.5 -0.75 . . . . 8.5099999999999998 109.809 179.982 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' C' ' 323' ' ' LEU . 99.0 mttt 51.16 81.26 0.26 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.156 -0.965 . . . . 7.4199999999999999 109.822 179.507 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.9 Cg_endo -66.59 12.14 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.891 0 C-N-CA 121.308 1.339 . . . . 5.0499999999999998 110.046 -179.669 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.8 mt -80.72 37.48 0.42 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.917 . . . . 5.1399999999999997 109.379 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' C' ' 322' ' ' PRO . 15.0 m-20 -77.65 -148.77 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.74 -0.6 . . . . 2.8500000000000001 109.768 -179.576 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 149.77 50.02 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.942 -1.263 . . . . 1.27 109.942 -179.617 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.61 134.88 57.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.437 -1.037 . . . . 2.1099999999999999 109.678 179.926 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.5 m-85 -95.71 158.21 15.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 1.01 109.46 179.666 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.63 140.03 36.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.25 -0.906 . . . . 0.57999999999999996 109.02 179.402 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 60.9 p -97.68 161.44 13.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 1.1599999999999999 109.552 -179.757 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.66 134.05 18.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 1.1699999999999999 109.959 -179.43 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.12 131.59 34.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.584 -0.698 . . . . 1.8100000000000001 109.506 179.584 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.02 117.03 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.957 -0.757 . . . . 1.1299999999999999 108.957 179.661 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.38 148.83 38.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.506 -0.746 . . . . 2.8199999999999998 109.971 -179.928 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.97 139.89 5.41 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.147 -1.181 . . . . 0.45000000000000001 110.147 179.276 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -84.1 -46.17 12.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -1.078 . . . . 3.0800000000000001 109.343 179.702 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -58.09 -38.27 76.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 2.54 109.083 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.78 -37.18 83.39 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.404 -0.81 . . . . 4.1100000000000003 109.451 179.785 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.08 -52.2 65.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.469 -0.77 . . . . 0.56999999999999995 109.738 -179.904 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.46 -38.38 59.16 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.745 -179.609 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.28 -56.66 14.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.199 -0.938 . . . . 1.29 110.218 -179.349 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.05 -44.17 97.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.981 -1.074 . . . . 0.40000000000000002 108.554 179.939 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.413 HH11 ' HB3' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -51.33 -42.62 61.36 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.548 -0.72 . . . . 3.8500000000000001 109.514 179.46 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.02 -52.83 63.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 1.78 109.612 -179.776 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.13 -37.35 79.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 1.1699999999999999 108.536 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.3 -55.8 30.31 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.459 -0.776 . . . . 1.2 109.383 179.571 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.06 -32.89 74.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.448 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -51.27 70.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.838 . . . . 1.0700000000000001 109.57 -179.836 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.4 -47.67 84.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.1399999999999999 109.347 179.825 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.7 -35.99 73.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.231 -0.918 . . . . 2.0899999999999999 109.196 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.09 -49.11 73.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 1.3799999999999999 109.283 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.52 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.433 -0.792 . . . . 2.6800000000000002 108.963 -179.992 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.78 -34.18 67.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.582 -0.699 . . . . 1.3400000000000001 109.444 179.794 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.69 83.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -0.869 . . . . 1.3 109.705 -179.869 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.54 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 64.6 mt-30 -81.34 -2.85 50.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.198 -0.939 . . . . 1.8 109.573 -179.858 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.24 55.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 1.47 109.576 179.938 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.71 -1.5 83.65 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.577 -1.409 . . . . 1.6599999999999999 109.577 -179.9 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.12 148.51 25.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -1.186 . . . . 4.7800000000000002 109.398 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -49.48 149.22 4.21 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 6.1900000000000004 108.961 -179.94 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -54.68 129.91 37.49 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 120.831 1.02 . . . . 6.1799999999999997 109.897 179.546 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 118.005 -1.442 . . . . 6.9000000000000004 109.608 -179.959 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.417 -0.586 . . . . 7.6900000000000004 109.417 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 58.07 11.18 1.41 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.436 -0.79 . . . . 7.4500000000000002 109.719 179.984 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.546 ' C ' ' H ' ' D' ' 323' ' ' LEU . 99.0 mttt 51.2 81.16 0.27 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 6.8399999999999999 109.866 179.506 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.8 Cg_endo -66.43 11.95 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.387 1.391 . . . . 5.1200000000000001 110.035 -179.673 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.8 mt -80.68 37.55 0.42 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 4.6600000000000001 109.38 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' D' ' 322' ' ' PRO . 14.7 m-20 -77.73 -148.74 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.597 -0.69 . . . . 2.46 109.842 -179.633 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 149.78 50.03 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.96 -1.256 . . . . 1.0800000000000001 109.96 -179.601 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.52 134.86 57.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.384 -1.068 . . . . 1.6699999999999999 109.696 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 38.3 m-85 -95.73 158.16 15.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.182 -0.949 . . . . 1.01 109.433 179.65 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.6 140.1 36.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.63 108.964 179.405 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.1 p -97.76 161.31 13.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.273 -0.892 . . . . 1.1299999999999999 109.525 -179.771 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.56 134.06 18.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.176 -0.953 . . . . 1.1000000000000001 109.884 -179.405 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.58 34.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.498 -0.751 . . . . 1.3700000000000001 109.481 179.555 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.7 mt -123.99 116.99 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.948 -0.76 . . . . 1.1499999999999999 108.948 179.665 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.456 -0.778 . . . . 2.77 110.002 -179.912 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.05 139.83 5.44 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.105 -1.198 . . . . 0.42999999999999999 110.105 179.285 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -84.08 -46.21 12.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -1.143 . . . . 3.1200000000000001 109.303 179.727 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.08 -38.27 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.108 179.797 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -61.86 -37.15 83.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.375 -0.828 . . . . 3.5 109.413 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.09 -52.17 65.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.504 -0.748 . . . . 0.5 109.767 -179.961 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.44 -38.39 59.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.6899999999999999 109.78 -179.664 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttp -63.24 -56.58 15.42 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.251 -0.906 . . . . 1.1399999999999999 110.3 -179.376 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -44.03 97.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.007 -1.058 . . . . 0.32000000000000001 108.534 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.406 ' HB3' HH11 ' D' ' 342' ' ' ARG . 0.8 OUTLIER -51.42 -42.56 61.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.498 -0.751 . . . . 2.96 109.433 179.491 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.96 -52.96 63.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 1.75 109.59 -179.797 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.08 -37.31 79.53 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.927 . . . . 1.0800000000000001 108.57 179.647 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.38 -55.78 30.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.495 -0.753 . . . . 1.22 109.391 179.556 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.99 -32.98 74.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.345 -0.847 . . . . 1.73 109.442 179.941 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.36 69.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 1.0700000000000001 109.634 -179.823 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.35 -47.62 85.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.1100000000000001 109.394 179.778 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -58.76 -36.03 73.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 1.9099999999999999 109.155 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.03 -49.15 73.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.368 -0.832 . . . . 1.1699999999999999 109.26 179.893 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -62.56 -43.39 98.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.292 -0.88 . . . . 2.1499999999999999 108.977 179.977 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.73 -34.18 67.26 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.458 179.76 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.68 82.83 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.3 109.75 -179.834 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.54 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 64.6 mt-30 -81.2 -3.05 51.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.85 . . . . 1.3999999999999999 109.574 -179.896 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.12 56.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.294 -0.879 . . . . 1.6000000000000001 109.619 -179.953 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.78 -1.5 84.05 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.595 -1.402 . . . . 1.5 109.595 -179.965 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.12 148.48 25.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -1.16 . . . . 4.5499999999999998 109.338 179.89 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -49.57 149.24 4.34 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.382 -0.824 . . . . 5.6699999999999999 108.967 -179.906 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.59 129.85 37.11 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 120.921 1.081 . . . . 6.1200000000000001 109.88 179.563 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.465 -1.454 . . . . 7.2699999999999996 109.465 179.958 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 321' ' ' LYS . 65.3 mmtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.467 -0.568 . . . . 7.6600000000000001 109.467 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.82 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.521 -0.737 . . . . 7.5099999999999998 109.966 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 60.3 69.42 1.18 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.833 . . . . 6.8099999999999996 109.683 -179.838 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.27 -147.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.08 0 C-N-CA 121.454 1.436 . . . . 5.1500000000000004 109.673 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.71 126.79 31.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 4.7000000000000002 109.294 179.965 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -80.33 -127.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 2.48 110.068 -179.515 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 156.62 53.16 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.013 -1.235 . . . . 1.0800000000000001 110.013 -179.517 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.88 141.4 55.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.456 -1.026 . . . . 1.7 109.493 179.936 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -97.65 149.4 22.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.203 -0.936 . . . . 1.04 110.05 -179.812 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -138.98 138.6 37.43 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.545 -0.909 . . . . 0.65000000000000002 108.545 179.059 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.9 p -98.03 163.96 12.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.396 -0.815 . . . . 1.1399999999999999 109.249 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.84 131.36 15.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 1.0900000000000001 109.859 -179.184 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.18 127.23 34.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 1.3700000000000001 108.838 179.52 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.33 113.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.458 -0.777 . . . . 1.1499999999999999 109.659 -179.512 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.413 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.44 32.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 2.79 109.808 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 134.57 3.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.016 -1.234 . . . . 0.45000000000000001 110.016 179.442 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.94 -48.81 11.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -1.133 . . . . 3.1600000000000001 109.211 179.66 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.62 -42.43 88.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.154 179.77 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.81 . . . . 3.54 109.257 179.865 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -55.38 -56.48 19.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.559 -0.713 . . . . 0.5 109.541 179.897 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.24 -38.94 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.328 -0.858 . . . . 1.6599999999999999 109.781 -179.625 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.12 -54.22 41.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 110.079 -179.454 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.83 -45.76 93.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.34000000000000002 108.972 -179.986 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.354 -0.841 . . . . 2.9399999999999999 109.284 179.869 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.21 -51.88 64.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 1.74 109.498 179.754 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.15 -35.93 74.38 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.695 -0.854 . . . . 1.0700000000000001 108.695 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.47 -56.97 15.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.475 -0.766 . . . . 1.22 109.225 179.453 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.01 -29.48 70.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 1.72 109.716 -179.968 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.5 -55.23 37.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.944 -179.581 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.66 -40.72 93.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 1.0800000000000001 109.405 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.72 -36.19 78.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.473 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.24 -52.85 56.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 109.124 179.994 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.93 -47.32 85.42 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 2.1400000000000001 109.052 179.689 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -35.66 71.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.054 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.42 72.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.339 -0.851 . . . . 1.3 109.513 -179.989 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -82.0 -4.62 57.13 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.296 -0.877 . . . . 1.4199999999999999 109.725 -179.825 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.02 -81.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.196 -0.94 . . . . 1.5800000000000001 110.466 -179.373 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.57 5.21 1.17 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.784 -0.926 . . . . 1.54 110.784 -178.876 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 355' ' ' ALA . 71.6 tttt -87.14 7.38 28.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.844 -1.386 . . . . 4.5499999999999998 109.332 179.966 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.22 108.4 0.76 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.337 -0.852 . . . . 5.71 109.564 179.862 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.48 145.54 95.56 Favored 'Trans proline' 0 C--O 1.214 -0.7 0 N-CA-C 109.776 -0.894 . . . . 6.0899999999999999 109.776 -179.676 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 117.976 -1.458 . . . . 7.2400000000000002 109.591 -179.992 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 321' ' ' LYS . 65.2 mmtt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.51 -0.552 . . . . 7.6699999999999999 109.51 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.75 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.7 . . . . 7.46 109.988 179.956 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 60.24 69.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.445 -0.784 . . . . 6.79 109.763 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.26 -148.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.514 1.476 . . . . 5.1500000000000004 109.615 -179.974 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.62 126.93 31.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.045 -1.035 . . . . 4.6600000000000001 109.247 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.44 -127.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 2.4700000000000002 109.99 -179.529 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.18 156.54 52.91 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.078 -1.209 . . . . 1.0600000000000001 110.078 -179.577 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.87 141.38 55.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.417 -1.049 . . . . 1.6100000000000001 109.473 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -97.72 149.38 22.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.29 -0.881 . . . . 0.96999999999999997 110.059 -179.791 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.47 37.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.552 -0.907 . . . . 0.59999999999999998 108.552 179.156 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -97.98 163.82 12.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.295 -179.873 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -148.64 131.47 16.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 1.1000000000000001 109.907 -179.249 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.14 127.19 34.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 1.3600000000000001 108.878 179.471 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.79 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.518 -0.739 . . . . 1.1699999999999999 109.634 -179.509 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.4 HH11 ' CG ' ' B' ' 333' ' ' ARG . 1.1 ttt-85 -76.82 155.43 33.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 2.79 109.752 179.717 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.06 134.51 3.11 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.036 -1.225 . . . . 0.47999999999999998 110.036 179.391 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.63 12.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -1.122 . . . . 3.2200000000000002 109.247 179.689 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.83 -42.38 89.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 2.21 109.083 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.77 -43.63 97.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 3.5499999999999998 109.278 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.39 -56.47 19.71 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.527 -0.733 . . . . 0.52000000000000002 109.522 179.854 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.27 -38.88 28.64 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.834 -179.635 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.1 -54.21 41.45 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.218 -0.926 . . . . 1.1499999999999999 110.078 -179.455 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.87 -45.82 93.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.119 -0.988 . . . . 0.33000000000000002 108.903 -179.927 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.53 -40.24 59.27 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.428 -0.795 . . . . 3.02 109.281 179.906 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -63.17 -51.88 64.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.091 -1.006 . . . . 1.75 109.526 179.782 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.05 -35.94 74.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 1.0700000000000001 108.674 179.871 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.63 -56.86 16.72 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.52 -0.737 . . . . 1.21 109.2 179.601 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.01 -29.57 70.71 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.333 -0.854 . . . . 1.6899999999999999 109.633 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.46 -55.28 37.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.907 . . . . 1.0600000000000001 109.958 -179.524 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.66 -40.61 92.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 109.457 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.8 -36.25 78.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.418 179.873 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.18 -52.8 57.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 1.1399999999999999 109.044 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -62.01 -47.39 84.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.389 -0.82 . . . . 2.1899999999999999 109.025 179.745 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -35.71 71.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.093 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.49 73.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.307 -0.871 . . . . 1.3100000000000001 109.539 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -81.93 -4.75 57.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.326 -0.859 . . . . 1.3999999999999999 109.747 -179.784 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -69.99 -81.82 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.94 . . . . 1.5700000000000001 110.448 -179.35 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.6 5.24 1.17 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.747 -0.941 . . . . 1.53 110.747 -178.825 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' B' ' 355' ' ' ALA . 71.7 tttt -87.11 7.34 28.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.811 -1.406 . . . . 4.5800000000000001 109.405 179.932 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.17 108.45 0.77 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.337 -0.852 . . . . 5.6799999999999997 109.557 179.866 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.47 145.59 95.57 Favored 'Trans proline' 0 C--O 1.215 -0.643 0 N-CA-C 109.748 -0.905 . . . . 6.0499999999999998 109.748 -179.694 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 117.979 -1.456 . . . . 7.2000000000000002 109.527 179.968 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' C' ' 321' ' ' LYS . 65.3 mmtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.449 -0.574 . . . . 9.2200000000000006 109.449 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt 54.86 -82.21 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 8.5099999999999998 109.958 179.979 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 60.26 69.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 7.4199999999999999 109.777 -179.794 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.2 -147.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.012 0 C-N-CA 121.503 1.469 . . . . 5.0499999999999998 109.59 -179.978 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.7 126.89 31.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 5.1399999999999997 109.266 179.963 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -80.46 -127.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 2.8500000000000001 109.961 -179.492 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.27 156.5 52.99 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.083 -1.207 . . . . 1.27 110.083 -179.491 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.82 141.47 55.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -1.039 . . . . 2.1099999999999999 109.475 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.63 149.45 22.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.214 -0.929 . . . . 1.01 110.065 -179.862 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.65 37.32 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.485 -0.931 . . . . 0.57999999999999996 108.485 179.069 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -98.11 163.83 12.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.285 -0.885 . . . . 1.1599999999999999 109.28 -179.915 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.72 131.51 16.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.174 -0.954 . . . . 1.1699999999999999 109.91 -179.292 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.16 127.28 34.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 1.8100000000000001 108.828 179.525 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.47 113.79 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.55 -0.719 . . . . 1.1299999999999999 109.584 -179.508 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -76.86 155.5 32.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 2.8199999999999998 109.735 179.735 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.04 134.49 3.09 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.053 -1.219 . . . . 0.45000000000000001 110.053 179.441 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.86 -48.81 11.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -1.081 . . . . 3.0800000000000001 109.201 179.674 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.71 -42.35 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.336 -0.852 . . . . 2.54 109.113 179.806 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.377 -0.827 . . . . 4.1100000000000003 109.199 179.84 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -55.4 -56.44 20.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.538 -0.726 . . . . 0.56999999999999995 109.505 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.2 -39.0 28.0 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.804 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.11 -54.24 40.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.245 -0.91 . . . . 1.29 110.079 -179.439 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.66 -45.92 92.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.40000000000000002 108.923 -179.969 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.5 -40.26 59.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.4 -0.813 . . . . 3.8500000000000001 109.335 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.13 -51.88 64.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.0 -1.063 . . . . 1.78 109.545 179.694 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.16 -35.91 74.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 108.673 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -58.6 -56.87 16.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.458 -0.776 . . . . 1.2 109.214 179.545 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.08 -29.52 70.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.684 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.51 -55.12 39.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.303 -0.873 . . . . 1.0700000000000001 110.069 -179.618 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.74 -40.56 92.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -0.993 . . . . 1.1399999999999999 109.446 -179.852 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -60.8 -36.24 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 2.0899999999999999 109.51 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.21 -52.82 56.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 1.3799999999999999 109.044 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.98 -47.32 85.36 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.452 -0.78 . . . . 2.6800000000000002 109.079 179.73 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -35.73 71.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.498 -0.751 . . . . 1.3400000000000001 109.074 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.35 72.7 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.389 -0.819 . . . . 1.3 109.527 -179.974 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -82.03 -4.64 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 1.8 109.761 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -69.98 -81.81 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 1.47 110.484 -179.399 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.58 5.26 1.16 Allowed Glycine 0 N--CA 1.493 2.498 0 C-N-CA 120.341 -0.933 . . . . 1.6599999999999999 110.848 -178.914 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' C' ' 355' ' ' ALA . 71.6 tttt -87.12 7.34 28.48 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.828 -1.396 . . . . 4.7800000000000002 109.388 179.94 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.16 108.39 0.76 Allowed Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.354 -0.841 . . . . 6.1900000000000004 109.527 179.849 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.49 145.54 95.54 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.782 -0.891 . . . . 6.1799999999999997 109.782 -179.716 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.013 -1.437 . . . . 6.9000000000000004 109.603 -179.982 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' D' ' 321' ' ' LYS . 65.2 mmtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.455 -0.572 . . . . 7.6900000000000004 109.455 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.81 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.538 -0.726 . . . . 7.4500000000000002 109.964 -179.999 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 60.28 69.4 1.19 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.459 -0.776 . . . . 6.8399999999999999 109.712 -179.823 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -60.29 -147.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.482 1.455 . . . . 5.1200000000000001 109.562 -179.991 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.7 126.93 31.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.009 . . . . 4.6600000000000001 109.217 -179.91 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -80.44 -127.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.356 -0.84 . . . . 2.46 109.993 -179.524 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 156.43 52.98 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.055 -1.218 . . . . 1.0800000000000001 110.055 -179.534 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.82 141.42 55.36 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -1.016 . . . . 1.6699999999999999 109.481 179.868 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.69 149.39 22.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 1.01 110.058 -179.832 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.01 138.53 37.3 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.56 -0.904 . . . . 0.63 108.56 179.11 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -97.92 163.87 12.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.313 -0.867 . . . . 1.1299999999999999 109.303 -179.909 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -148.74 131.46 15.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.175 -0.953 . . . . 1.1000000000000001 109.872 -179.315 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.05 127.21 34.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.3700000000000001 108.902 179.433 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.77 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.519 -0.738 . . . . 1.1499999999999999 109.593 -179.526 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -76.87 155.45 32.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 2.77 109.788 179.62 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 134.61 3.14 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.996 -1.242 . . . . 0.42999999999999999 109.996 179.378 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.71 11.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -1.107 . . . . 3.1200000000000001 109.242 179.686 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.81 -42.28 88.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.319 -0.863 . . . . 2.2200000000000002 109.14 179.818 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.358 -0.838 . . . . 3.5 109.253 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.42 -56.45 20.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.49 -0.756 . . . . 0.5 109.507 179.983 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.21 -38.87 27.7 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.867 -179.659 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.24 -54.1 42.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 1.1399999999999999 110.085 -179.487 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.83 -45.79 93.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.32000000000000001 108.985 -179.976 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.23 59.32 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.371 -0.83 . . . . 2.96 109.31 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.052 -1.03 . . . . 1.75 109.545 179.728 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.1 -36.0 74.39 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 108.693 179.831 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -58.47 -56.96 15.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.47 -0.769 . . . . 1.22 109.301 179.449 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.05 -29.48 70.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 1.73 109.765 179.97 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.32 36.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.942 -179.629 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.55 -40.77 92.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 1.1100000000000001 109.395 -179.776 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -60.73 -36.28 78.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.209 -0.932 . . . . 1.9099999999999999 109.464 179.918 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.09 -52.93 56.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -0.82 . . . . 1.1699999999999999 109.063 -179.995 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.94 -47.36 85.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.417 -0.802 . . . . 2.1499999999999999 109.05 179.762 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.96 -35.75 71.59 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.028 -0.73 . . . . 1.4399999999999999 109.028 179.673 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.43 72.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.318 -0.864 . . . . 1.3 109.512 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -82.07 -4.66 57.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.3 -0.875 . . . . 1.3999999999999999 109.7 -179.773 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.05 -81.72 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.902 . . . . 1.6000000000000001 110.498 -179.364 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.6 5.31 1.16 Allowed Glycine 0 N--CA 1.494 2.53 0 C-N-CA 120.271 -0.966 . . . . 1.5 110.857 -178.94 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' D' ' 355' ' ' ALA . 71.6 tttt -87.21 7.38 28.61 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.354 . . . . 4.5499999999999998 109.336 179.966 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.14 108.37 0.76 Allowed Pre-proline 0 N--CA 1.494 1.773 0 O-C-N 121.255 -0.903 . . . . 5.6699999999999999 109.569 179.803 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.45 145.56 95.61 Favored 'Trans proline' 0 C--O 1.217 -0.57 0 N-CA-C 109.793 -0.887 . . . . 6.1200000000000001 109.793 -179.725 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 7.2699999999999996 109.499 -179.989 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.411 -0.588 . . . . 7.6600000000000001 109.411 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm 51.91 -168.71 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 7.5099999999999998 109.312 -179.991 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 323' ' ' LEU . 5.8 ttpm? 56.67 66.62 3.15 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 6.8099999999999996 110.085 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.9 Cg_endo -66.94 17.16 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.651 1.567 . . . . 5.1500000000000004 110.021 179.549 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.57 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.5 mt -80.13 32.05 0.27 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 4.7000000000000002 109.695 -179.561 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 322' ' ' PRO . 32.5 m-20 -77.44 162.87 26.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.523 -0.736 . . . . 2.48 109.418 179.999 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.35 52.9 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.776 -1.33 . . . . 1.0800000000000001 109.776 -179.71 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.8 135.04 57.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.342 -1.093 . . . . 1.7 109.584 -179.909 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -93.95 154.37 17.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.25 -0.906 . . . . 1.04 109.464 179.849 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -141.22 137.12 32.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.357 -0.839 . . . . 0.65000000000000002 108.978 179.426 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.86 164.76 12.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.436 -0.79 . . . . 1.1399999999999999 109.313 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.09 131.84 15.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 1.0900000000000001 109.602 -179.706 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.43 127.35 33.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.105 179.621 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.95 115.46 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.592 -0.692 . . . . 1.1499999999999999 109.563 -179.607 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.35 151.05 38.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 2.79 109.977 179.716 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.62 4.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.351 -1.1 . . . . 0.45000000000000001 110.351 179.172 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.03 -44.76 12.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.416 -1.05 . . . . 3.1600000000000001 109.22 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.22 -46.11 86.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.153 -0.967 . . . . 2.2200000000000002 109.083 179.782 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.34 -0.85 . . . . 3.54 109.429 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -54.08 -55.75 24.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.387 -0.821 . . . . 0.5 109.321 179.919 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.52 -36.05 54.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.499 -179.828 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -51.95 63.73 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.338 -0.851 . . . . 1.1499999999999999 110.056 -179.48 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -41.57 95.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.34000000000000002 108.978 -179.85 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.7 -43.22 62.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 2.9399999999999999 109.207 179.603 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 351' ' ' LYS . 9.9 tp10 -60.08 -52.05 66.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.351 -0.843 . . . . 1.74 109.614 179.92 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 108.855 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.07 -55.92 28.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.392 -0.817 . . . . 1.22 109.433 179.452 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.44 ' CB ' ' HZ2' ' B' ' 351' ' ' LYS . 97.7 mt-10 -63.67 -32.71 74.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.837 . . . . 1.72 110.026 -179.828 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.59 -52.75 64.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 109.987 -179.481 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.66 -43.75 98.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.184 -0.947 . . . . 1.0800000000000001 109.464 -179.878 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.72 -33.56 70.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.9099999999999999 109.56 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.34 -54.33 30.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 109.407 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.501 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.69 86.82 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.326 -0.859 . . . . 2.1400000000000001 108.987 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -56.99 -42.14 79.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.694 . . . . 1.4299999999999999 109.583 179.584 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -22.37 65.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 1.3 109.758 -179.687 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.79 -15.05 49.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 1.4199999999999999 109.474 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.01 -2.91 22.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 1.5800000000000001 109.491 179.693 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.19 -3.14 88.27 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.893 -1.283 . . . . 1.54 109.893 -179.651 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -86.76 103.45 15.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -1.219 . . . . 4.5499999999999998 109.46 179.933 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.457 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.7 mt-10 -53.42 -52.06 70.03 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 5.71 109.955 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -61.38 134.49 52.08 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 120.706 0.937 . . . . 6.0899999999999999 109.938 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 118.02 -1.433 . . . . 7.2400000000000002 109.544 179.748 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.315 -0.624 . . . . 7.6699999999999999 109.315 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 51.95 -168.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.289 -0.882 . . . . 7.46 109.303 179.962 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' B' ' 323' ' ' LEU . 5.8 ttpm? 56.66 66.69 3.11 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.438 -0.788 . . . . 6.79 110.066 -179.996 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' B' ' 324' ' ' ASP . 2.0 Cg_endo -66.88 17.04 0.11 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.609 1.539 . . . . 5.1500000000000004 110.085 179.513 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.4 mt -80.0 32.07 0.26 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.133 -0.979 . . . . 4.6600000000000001 109.742 -179.548 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' B' ' 322' ' ' PRO . 31.6 m-20 -77.58 162.22 27.26 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.496 -0.753 . . . . 2.4700000000000002 109.497 179.982 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.22 153.42 52.9 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.751 -1.34 . . . . 1.0600000000000001 109.751 -179.758 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.06 135.02 57.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.34 -1.094 . . . . 1.6100000000000001 109.518 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -93.81 154.28 17.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.96999999999999997 109.592 179.768 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.12 137.11 32.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.348 -0.845 . . . . 0.59999999999999998 109.002 179.391 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -94.77 164.66 12.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -0.83 . . . . 1.1000000000000001 109.3 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -150.12 131.91 15.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.217 -0.927 . . . . 1.1000000000000001 109.589 -179.715 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.45 127.14 33.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 1.3600000000000001 109.082 179.721 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.82 115.49 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.642 -0.661 . . . . 1.1699999999999999 109.564 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -75.56 150.92 37.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.43 -0.794 . . . . 2.79 109.893 179.819 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.21 137.73 4.16 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.364 -1.094 . . . . 0.47999999999999998 110.364 179.261 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.13 -44.67 12.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.527 -0.984 . . . . 3.2200000000000002 109.258 179.561 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.24 -45.99 86.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 2.21 109.101 179.741 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.53 -41.6 98.98 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.359 -0.838 . . . . 3.5499999999999998 109.4 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.08 -55.85 23.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 0.52000000000000002 109.289 179.929 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.41 -36.01 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 1.6799999999999999 109.613 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.51 -51.93 63.41 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.322 -0.861 . . . . 1.1499999999999999 110.001 -179.429 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.65 -41.61 95.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.006 . . . . 0.33000000000000002 108.977 -179.904 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.84 -43.05 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 3.02 109.24 179.681 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.501 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 9.9 tp10 -60.0 -52.18 66.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 1.75 109.576 179.887 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.17 -39.54 86.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 1.0700000000000001 108.887 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.08 -55.88 29.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.404 -0.81 . . . . 1.21 109.43 179.455 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.68 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 1.6899999999999999 109.991 -179.809 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.53 -52.79 63.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 1.0600000000000001 110.037 -179.539 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.59 -43.8 98.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 1.0800000000000001 109.498 -179.92 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -33.54 70.35 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.595 -179.997 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.33 -54.28 31.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.27 -0.893 . . . . 1.1399999999999999 109.431 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.78 87.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.329 -0.857 . . . . 2.1899999999999999 108.994 179.812 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.99 -41.96 79.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.461 -0.775 . . . . 1.4299999999999999 109.568 179.655 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -22.44 65.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.845 . . . . 1.3100000000000001 109.744 -179.712 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.8 -15.0 50.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 1.3999999999999999 109.439 179.945 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.05 -2.86 22.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -0.932 . . . . 1.5700000000000001 109.485 179.746 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.29 -3.09 88.38 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.86 -1.296 . . . . 1.53 109.86 -179.593 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -86.75 103.5 15.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.166 -1.196 . . . . 4.5800000000000001 109.395 179.968 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' B' ' 359' ' ' PRO . 2.7 mt-10 -53.51 -52.06 70.3 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.154 -0.966 . . . . 5.6799999999999997 109.914 179.569 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -61.36 134.46 51.96 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 120.694 0.929 . . . . 6.0499999999999998 109.95 -179.75 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.585 -1.406 . . . . 7.2000000000000002 109.585 179.731 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.461 -0.57 . . . . 9.2200000000000006 109.461 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 52.04 -168.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.23 -0.919 . . . . 8.5099999999999998 109.281 -179.999 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' C' ' 323' ' ' LEU . 5.8 ttpm? 56.64 66.63 3.16 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.469 -0.77 . . . . 7.4199999999999999 110.109 179.984 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.429 ' C ' ' H ' ' C' ' 324' ' ' ASP . 2.0 Cg_endo -66.81 17.09 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 121.696 1.598 . . . . 5.0499999999999998 110.094 179.499 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.563 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.6 mt -80.13 32.14 0.27 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 5.1399999999999997 109.664 -179.515 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' C' ' 322' ' ' PRO . 32.4 m-20 -77.5 162.66 26.98 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.504 -0.748 . . . . 2.8500000000000001 109.441 179.969 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.87 153.36 52.9 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.798 -1.321 . . . . 1.27 109.798 -179.747 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.91 134.97 57.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -1.077 . . . . 2.1099999999999999 109.653 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -93.73 154.26 17.88 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.235 -0.915 . . . . 1.01 109.597 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -141.17 137.14 32.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.341 -0.849 . . . . 0.57999999999999996 109.013 179.352 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -94.77 164.67 12.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.809 . . . . 1.1599999999999999 109.297 -179.893 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.08 131.91 15.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 1.1699999999999999 109.627 -179.775 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -84.45 127.2 33.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 1.8100000000000001 109.068 179.702 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.93 115.39 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.581 -0.699 . . . . 1.1299999999999999 109.564 -179.631 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -75.4 151.02 38.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.529 -0.732 . . . . 2.8199999999999998 109.953 179.798 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 137.58 4.05 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.436 -1.066 . . . . 0.45000000000000001 110.436 179.307 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -85.05 -44.68 12.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.357 -1.084 . . . . 3.0800000000000001 109.262 179.508 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.2 -46.12 86.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.06 -1.025 . . . . 2.54 109.084 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.52 -41.49 98.89 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.443 179.875 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.07 -55.81 23.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.487 -0.758 . . . . 0.56999999999999995 109.348 179.805 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.51 -36.01 54.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.594 -179.873 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.36 -52.0 63.59 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.341 -0.85 . . . . 1.29 110.065 -179.508 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.6 -41.61 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.173 -0.954 . . . . 0.40000000000000002 109.083 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.71 -43.22 62.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.893 . . . . 3.8500000000000001 109.256 179.627 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.517 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 9.9 tp10 -59.89 -52.15 66.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 1.78 109.607 179.86 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.2 -39.56 86.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 108.869 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.14 -55.79 30.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.434 -0.791 . . . . 1.2 109.423 179.484 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.71 -32.69 74.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 2.1200000000000001 109.991 -179.835 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.54 -52.84 63.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 1.0700000000000001 110.006 -179.578 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.61 -43.81 98.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 1.1399999999999999 109.491 -179.856 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.76 -33.52 70.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 2.0899999999999999 109.549 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.36 -54.25 31.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 1.3799999999999999 109.383 -179.808 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.449 ' HZ2' ' CB ' ' D' ' 346' ' ' GLU . 31.7 ttmt -61.05 -38.67 87.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.389 -0.819 . . . . 2.6800000000000002 108.994 179.888 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.06 -41.91 79.59 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.554 179.656 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.67 65.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 1.3 109.632 -179.71 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.7 -15.0 50.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.8 109.483 179.972 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.0 -2.92 23.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 1.47 109.526 179.644 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.28 -3.04 88.34 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.868 -1.293 . . . . 1.6599999999999999 109.868 -179.602 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -86.79 103.42 15.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -1.19 . . . . 4.7800000000000002 109.425 179.951 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.462 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.7 mt-10 -53.43 -51.99 70.71 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.253 -0.905 . . . . 6.1900000000000004 110.009 179.567 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.2 Cg_endo -61.38 134.49 52.07 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.706 0.937 . . . . 6.1799999999999997 109.976 -179.82 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.541 179.76 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.429 -0.582 . . . . 7.6900000000000004 109.429 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 51.98 -168.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 7.4500000000000002 109.284 -179.983 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.572 ' C ' ' H ' ' D' ' 323' ' ' LEU . 5.8 ttpm? 56.72 66.54 3.19 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.507 -0.746 . . . . 6.8399999999999999 110.122 -179.984 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.435 ' C ' ' H ' ' D' ' 324' ' ' ASP . 2.0 Cg_endo -66.81 17.06 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 121.723 1.615 . . . . 5.1200000000000001 110.064 179.526 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.572 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.4 mt -80.08 32.08 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.202 -0.936 . . . . 4.6600000000000001 109.678 -179.557 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' D' ' 322' ' ' PRO . 31.9 m-20 -77.46 162.69 26.99 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.517 -0.74 . . . . 2.46 109.507 179.903 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.93 153.45 52.92 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.763 -1.335 . . . . 1.0800000000000001 109.763 -179.671 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -58.83 135.01 57.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -1.063 . . . . 1.6699999999999999 109.619 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.86 154.39 17.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 1.01 109.492 179.812 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.25 137.07 32.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.325 -0.859 . . . . 0.63 109.074 179.365 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.8 164.74 12.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.412 -0.805 . . . . 1.1299999999999999 109.26 -179.93 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -150.21 131.84 14.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 1.1000000000000001 109.587 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.4 127.32 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 109.125 179.652 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.0 115.52 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.558 -0.714 . . . . 1.1499999999999999 109.535 -179.612 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.45 151.02 38.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.486 -0.758 . . . . 2.77 109.921 179.755 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.61 4.04 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.406 -1.077 . . . . 0.42999999999999999 110.406 179.253 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.11 -44.54 12.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -1.019 . . . . 3.1200000000000001 109.265 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.39 -46.0 87.22 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -0.933 . . . . 2.2200000000000002 109.067 179.711 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.45 -41.65 98.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.505 -0.747 . . . . 3.5 109.417 179.774 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.03 -55.84 23.57 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.347 -0.846 . . . . 0.5 109.324 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -52.48 -36.01 54.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.6899999999999999 109.518 -179.863 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.44 -51.97 63.44 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.285 -0.884 . . . . 1.1399999999999999 110.031 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.32000000000000001 109.051 -179.912 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.74 -43.15 62.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 2.96 109.247 179.602 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.425 ' OE2' ' NZ ' ' C' ' 351' ' ' LYS . 9.9 tp10 -60.09 -52.15 66.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.296 -0.878 . . . . 1.75 109.516 179.931 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.05 -39.68 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 108.864 179.873 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -59.11 -55.84 29.87 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.43 -0.794 . . . . 1.22 109.422 179.566 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.449 ' CB ' ' HZ2' ' C' ' 351' ' ' LYS . 97.5 mt-10 -63.76 -32.5 74.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.73 110.072 -179.851 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.69 -52.71 64.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.962 -179.536 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.71 -43.73 98.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -0.921 . . . . 1.1100000000000001 109.41 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.77 -33.55 70.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.531 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.4 -54.28 31.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 1.1699999999999999 109.418 -179.784 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.517 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 31.4 ttmt -60.95 -38.77 87.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.335 -0.853 . . . . 2.1499999999999999 108.905 179.838 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.97 -42.04 79.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.603 179.641 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.45 65.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 1.3 109.681 -179.637 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.79 -15.03 49.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 1.3999999999999999 109.397 179.937 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -2.87 22.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 1.6000000000000001 109.513 179.703 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.24 -3.15 88.33 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.83 -1.308 . . . . 1.5 109.83 -179.588 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -86.84 103.48 15.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.126 -1.22 . . . . 4.5499999999999998 109.442 -179.998 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.458 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.7 mt-10 -53.46 -51.95 71.12 Favored Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 121.174 -0.954 . . . . 5.6699999999999999 109.964 179.604 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.3 Cg_endo -61.47 134.49 51.73 Favored 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 120.69 0.926 . . . . 6.1200000000000001 109.922 -179.718 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.92 -1.489 . . . . 7.2699999999999996 109.519 179.764 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.261 0.553 . . . . 7.6600000000000001 109.563 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 321' ' ' LYS . 66.4 mttm 53.83 21.08 2.57 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.322 -0.861 . . . . 7.5099999999999998 109.626 -179.988 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 320' ' ' LYS . 11.9 mptt 58.41 146.96 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 109.544 -0.539 . . . . 6.8099999999999996 109.544 179.855 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.1 -87.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 120.876 1.051 . . . . 5.1500000000000004 109.831 179.586 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -82.08 124.63 30.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.062 -1.024 . . . . 4.7000000000000002 109.531 -179.839 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -80.15 -131.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 2.48 109.39 179.876 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.74 164.08 49.38 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.543 -1.423 . . . . 1.0800000000000001 109.543 -179.937 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.9 130.52 47.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -1.145 . . . . 1.7 109.414 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -94.87 149.22 21.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.228 -0.92 . . . . 1.04 110.126 -179.669 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.58 135.13 29.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.378 -0.826 . . . . 0.65000000000000002 108.852 178.918 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.7 p -96.75 162.79 13.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.299 -0.876 . . . . 1.1399999999999999 109.369 -179.87 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -149.47 131.06 14.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.153 -0.967 . . . . 1.0900000000000001 109.736 -179.644 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.81 126.42 33.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 1.3700000000000001 109.023 179.63 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.2 mt -124.08 114.62 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 121.611 -0.681 . . . . 1.1499999999999999 109.568 -179.626 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.05 154.92 35.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.852 . . . . 2.79 109.737 179.717 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.93 136.42 2.23 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.317 -1.113 . . . . 0.45000000000000001 110.317 179.221 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.49 -42.99 16.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -1.09 . . . . 3.1600000000000001 109.24 179.529 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.64 -47.43 84.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 2.2200000000000002 109.119 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.76 -42.75 98.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.352 -0.842 . . . . 3.54 109.217 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.93 -56.13 23.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.534 -0.729 . . . . 0.5 109.473 179.904 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.79 -37.92 53.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 1.6599999999999999 109.782 -179.846 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.92 -51.39 67.12 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.886 . . . . 1.1499999999999999 109.953 -179.545 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.34000000000000002 108.831 -179.961 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.16 -43.65 61.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.359 -0.838 . . . . 2.9399999999999999 109.282 179.523 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.73 -51.09 71.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 1.74 109.777 -179.913 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.32 -38.11 85.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 1.0700000000000001 108.864 179.726 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.12 50.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.439 -0.788 . . . . 1.22 109.299 179.611 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -62.97 -34.11 76.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.72 109.605 179.993 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.54 -52.74 64.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 110.013 -179.562 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.61 -45.51 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.424 -179.821 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.18 73.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 1.9099999999999999 109.216 179.805 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.74 -47.68 77.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.431 -0.793 . . . . 1.1499999999999999 109.654 -179.893 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.8 -40.22 96.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 2.1400000000000001 109.035 179.666 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.09 -37.46 69.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.502 -0.749 . . . . 1.4299999999999999 109.23 179.656 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.87 82.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.343 -0.848 . . . . 1.3 109.534 179.886 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.622 HE21 ' NE2' ' B' ' 354' ' ' GLN . 60.3 mt-30 -80.79 1.27 31.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 1.4199999999999999 109.519 -179.864 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.74 -86.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 1.5800000000000001 109.13 179.891 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.27 96.89 0.64 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.194 -1.562 . . . . 1.54 109.194 179.613 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -86.11 15.41 5.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -1.175 . . . . 4.5499999999999998 109.393 -179.818 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -49.32 112.85 2.77 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.915 . . . . 5.71 109.326 -179.889 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.14 166.54 8.84 Favored 'Trans proline' 0 C--O 1.215 -0.654 0 C-N-CA 120.641 0.894 . . . . 6.0899999999999999 110.276 -179.661 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 117.935 -1.481 . . . . 7.2400000000000002 109.609 179.81 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 57.9 pttt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.579 -0.526 . . . . 7.6699999999999999 109.579 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 321' ' ' LYS . 66.2 mttm 53.73 21.07 2.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 7.46 109.667 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 320' ' ' LYS . 11.9 mptt 58.42 146.92 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.782 0 N-CA-C 109.574 -0.528 . . . . 6.79 109.574 179.831 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.02 -87.62 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 120.896 1.064 . . . . 5.1500000000000004 109.84 179.581 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.88 124.51 29.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.058 -1.026 . . . . 4.6600000000000001 109.66 -179.937 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.12 -131.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.855 . . . . 2.4700000000000002 109.427 179.844 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 164.13 48.61 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.576 -1.41 . . . . 1.0600000000000001 109.576 -179.981 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.99 130.45 47.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -1.133 . . . . 1.6100000000000001 109.431 -179.988 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.8 149.21 21.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.241 -0.912 . . . . 0.96999999999999997 110.207 -179.639 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.6 135.2 29.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.59999999999999998 108.826 178.912 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -96.79 162.88 13.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 109.367 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.48 130.96 14.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.177 -0.952 . . . . 1.1000000000000001 109.808 -179.657 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.73 126.4 33.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.032 179.629 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.97 114.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.555 -0.716 . . . . 1.1699999999999999 109.637 -179.73 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -75.99 154.98 35.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 2.79 109.763 179.758 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.9 136.45 2.23 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.348 -1.101 . . . . 0.47999999999999998 110.348 179.278 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -83.44 -43.1 16.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -1.064 . . . . 3.2200000000000002 109.233 179.437 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.65 -47.35 84.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.184 -0.948 . . . . 2.21 109.135 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.66 98.15 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.38 -0.825 . . . . 3.5499999999999998 109.216 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.97 -56.15 22.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.464 -0.773 . . . . 0.52000000000000002 109.403 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.81 -37.94 53.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.32 -0.862 . . . . 1.6799999999999999 109.787 -179.79 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.82 -51.49 66.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.963 -179.569 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.09 -43.43 98.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.149 -0.969 . . . . 0.33000000000000002 108.891 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.25 -43.55 61.54 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.361 -0.837 . . . . 3.02 109.295 179.516 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.07 71.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 1.75 109.71 -179.852 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.29 -38.16 85.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 108.852 179.768 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.61 -54.04 51.58 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 1.21 109.343 179.6 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.02 -34.06 76.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.672 179.901 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.79 64.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.895 . . . . 1.0600000000000001 109.978 -179.593 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.7 mt -61.58 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.139 -0.976 . . . . 1.0800000000000001 109.455 -179.803 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.3 -35.27 73.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 1.9299999999999999 109.141 179.859 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.66 77.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 1.1399999999999999 109.614 -179.829 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.1899999999999999 108.962 179.694 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.03 -37.49 69.27 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.185 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.89 82.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.375 -0.828 . . . . 1.3100000000000001 109.539 179.948 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.622 ' NE2' HE21 ' A' ' 354' ' ' GLN . 60.4 mt-30 -80.72 1.26 30.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.298 -0.876 . . . . 1.3999999999999999 109.522 -179.921 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.76 -86.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 1.5700000000000001 109.109 179.913 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.33 96.91 0.65 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.212 -1.555 . . . . 1.53 109.212 179.604 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -86.19 15.57 5.09 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.205 -1.173 . . . . 4.5800000000000001 109.404 -179.788 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.29 112.89 2.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.856 . . . . 5.6799999999999997 109.29 -179.972 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.19 166.59 8.84 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 120.607 0.871 . . . . 6.0499999999999998 110.299 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 118.044 -1.42 . . . . 7.2000000000000002 109.704 179.906 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 57.7 pttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.583 -0.525 . . . . 9.2200000000000006 109.583 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 321' ' ' LYS . 66.4 mttm 53.84 21.13 2.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.814 . . . . 8.5099999999999998 109.572 179.973 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 320' ' ' LYS . 11.9 mptt 58.36 146.99 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.788 0 N-CA-C 109.6 -0.519 . . . . 7.4199999999999999 109.6 179.864 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.18 -87.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 120.846 1.031 . . . . 5.0499999999999998 109.797 179.644 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.04 124.64 29.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.084 -1.01 . . . . 5.1399999999999997 109.575 -179.845 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -80.26 -131.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.907 . . . . 2.8500000000000001 109.378 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 164.22 48.68 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.579 -1.408 . . . . 1.27 109.579 -179.92 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -59.15 130.46 47.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -1.136 . . . . 2.1099999999999999 109.373 -179.938 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -94.88 149.23 21.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.206 -0.934 . . . . 1.01 110.158 -179.581 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.58 135.3 29.93 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.767 -0.827 . . . . 0.57999999999999996 108.767 178.989 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.4 p -96.84 162.93 13.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.374 -0.829 . . . . 1.1599999999999999 109.387 -179.849 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.61 131.04 14.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 109.685 -179.623 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.85 126.48 33.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 1.8100000000000001 108.976 179.623 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.3 mt -124.03 114.66 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.581 -0.7 . . . . 1.1299999999999999 109.582 -179.645 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.9 35.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.397 -0.814 . . . . 2.8199999999999998 109.765 179.692 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.98 136.54 2.28 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.334 -1.106 . . . . 0.45000000000000001 110.334 179.269 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.59 -43.07 16.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -1.095 . . . . 3.0800000000000001 109.184 179.511 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.6 -47.55 83.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 2.54 109.083 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.64 -42.84 97.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.339 -0.85 . . . . 4.1100000000000003 109.18 179.807 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.78 -56.2 21.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.47 -0.769 . . . . 0.56999999999999995 109.481 179.917 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.91 -37.81 53.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.339 -0.85 . . . . 1.6599999999999999 109.795 -179.793 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.86 -51.48 66.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.264 -0.897 . . . . 1.29 109.928 -179.607 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.51 98.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.40000000000000002 108.82 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.18 -43.66 61.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.236 -0.915 . . . . 3.8500000000000001 109.274 179.551 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.77 -51.09 71.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.338 -0.851 . . . . 1.78 109.739 -179.878 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.3 -38.16 85.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 1.1699999999999999 108.859 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.06 51.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.336 -0.852 . . . . 1.2 109.353 179.582 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.05 -33.95 76.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.658 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.66 -52.68 64.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 1.0700000000000001 110.015 -179.622 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.61 -45.47 93.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.885 . . . . 1.1399999999999999 109.479 -179.859 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.23 73.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 2.0899999999999999 109.186 179.75 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.69 -47.79 77.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.405 -0.809 . . . . 1.3799999999999999 109.639 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.68 -40.31 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.277 -0.889 . . . . 2.6800000000000002 109.046 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.1 -37.4 69.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.623 -0.673 . . . . 1.3400000000000001 109.219 179.716 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.375 -0.828 . . . . 1.3 109.573 179.841 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.504 ' NE2' HE21 ' D' ' 354' ' ' GLN . 60.4 mt-30 -80.81 1.35 30.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 1.8 109.548 -179.885 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.81 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.064 -1.023 . . . . 1.47 109.106 179.913 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.24 96.98 0.64 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.168 -1.573 . . . . 1.6599999999999999 109.168 179.599 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -86.21 15.55 5.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.333 -1.098 . . . . 4.7800000000000002 109.428 -179.902 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.31 112.91 2.79 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 6.1900000000000004 109.278 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.19 166.54 8.93 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 120.686 0.924 . . . . 6.1799999999999997 110.233 -179.709 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.419 0 CA-C-O 117.967 -1.463 . . . . 6.9000000000000004 109.65 179.879 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.244 0.545 . . . . 7.6900000000000004 109.58 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 321' ' ' LYS . 66.3 mttm 53.77 21.11 2.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 7.4500000000000002 109.62 -179.925 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 320' ' ' LYS . 11.9 mptt 58.39 146.96 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 N-CA-C 109.566 -0.531 . . . . 6.8399999999999999 109.566 179.821 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.1 -87.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 120.915 1.076 . . . . 5.1200000000000001 109.867 179.596 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -82.09 124.52 29.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 4.6600000000000001 109.575 -179.882 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.03 -131.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 2.46 109.465 179.826 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 164.26 48.43 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.577 -1.409 . . . . 1.0800000000000001 109.577 179.98 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -59.16 130.42 46.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -1.149 . . . . 1.6699999999999999 109.374 -179.98 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.84 149.32 21.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.168 -0.957 . . . . 1.01 110.094 -179.594 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.67 135.33 29.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.853 . . . . 0.63 108.746 178.933 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.1 p -96.86 162.79 13.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.367 -0.833 . . . . 1.1299999999999999 109.352 -179.862 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.49 131.09 14.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 1.1000000000000001 109.78 -179.721 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.83 126.46 33.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 1.3700000000000001 108.918 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.4 mt -124.04 114.64 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.522 -0.736 . . . . 1.1499999999999999 109.655 -179.714 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.87 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.308 -0.87 . . . . 2.77 109.788 179.773 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.87 136.53 2.23 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.353 -1.099 . . . . 0.42999999999999999 110.353 179.292 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.55 -42.99 16.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -1.059 . . . . 3.1200000000000001 109.239 179.55 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.59 -47.39 84.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.191 -0.943 . . . . 2.2200000000000002 109.186 179.752 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.74 98.28 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.389 -0.819 . . . . 3.5 109.163 179.839 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.91 -56.09 23.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.58 -0.7 . . . . 0.5 109.481 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.93 -37.88 54.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.764 -179.776 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.84 -51.38 67.23 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.167 -0.958 . . . . 1.1399999999999999 109.999 -179.591 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.15 -43.44 98.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.32000000000000001 108.856 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.21 -43.53 61.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.294 -0.879 . . . . 2.96 109.332 179.515 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.04 71.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.335 -0.853 . . . . 1.75 109.746 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.35 -38.13 85.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 108.847 179.781 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.57 -54.1 50.91 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 1.22 109.352 179.575 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.389 -0.82 . . . . 1.73 109.621 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.77 64.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.314 -0.867 . . . . 1.0700000000000001 109.975 -179.582 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.56 -45.48 93.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 1.1100000000000001 109.506 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.18 -35.33 73.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 1.9099999999999999 109.182 179.753 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.59 77.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 1.1699999999999999 109.677 -179.848 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.71 -40.33 96.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 2.1499999999999999 109.031 179.598 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.07 -37.48 69.38 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.586 -0.696 . . . . 1.4399999999999999 109.232 179.722 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 1.3 109.546 179.929 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.504 HE21 ' NE2' ' C' ' 354' ' ' GLN . 60.5 mt-30 -80.81 1.41 30.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.913 . . . . 1.3999999999999999 109.545 -179.897 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.79 -86.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.111 -0.993 . . . . 1.6000000000000001 109.155 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.25 96.86 0.64 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.214 -1.555 . . . . 1.5 109.214 179.613 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -86.11 15.57 5.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.226 -1.161 . . . . 4.5499999999999998 109.478 -179.889 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.28 112.94 2.8 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.874 . . . . 5.6699999999999999 109.281 -179.969 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.24 166.55 9.02 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 120.719 0.946 . . . . 6.1200000000000001 110.275 -179.723 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 117.962 -1.466 . . . . 7.2699999999999996 109.643 179.852 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.416 -0.587 . . . . 7.6600000000000001 109.416 . . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 321' ' ' LYS . 37.7 tttm 73.93 -53.55 0.69 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.679 -0.638 . . . . 7.5099999999999998 109.513 -179.922 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 323' ' ' LEU . 34.4 mttm 60.53 147.03 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.638 -0.664 . . . . 6.8099999999999996 109.728 179.846 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -65.08 7.96 0.24 Allowed 'Trans proline' 0 N--CA 1.482 0.848 0 C-N-CA 121.197 1.265 . . . . 5.1500000000000004 110.635 179.736 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.3 mt -80.67 17.31 1.16 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.854 -1.154 . . . . 4.7000000000000002 110.091 -179.536 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.41 ' CG ' ' HZ1' ' A' ' 320' ' ' LYS . 17.1 m-20 -79.64 -140.1 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.345 -0.847 . . . . 2.48 109.52 179.859 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.577 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.77 156.87 53.37 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.681 -1.368 . . . . 1.0800000000000001 109.681 -179.85 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.68 129.96 44.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -1.121 . . . . 1.7 109.539 -179.981 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.65 156.16 16.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.307 -0.871 . . . . 1.04 110.016 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.83 -169.15 2.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.613 -0.679 . . . . 0.65000000000000002 109.393 -179.907 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -151.5 148.55 28.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.26 -0.9 . . . . 1.1399999999999999 109.012 -179.859 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -142.0 135.63 29.48 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.352 -0.843 . . . . 1.0900000000000001 109.677 -178.956 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.74 131.48 34.32 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.468 -0.938 . . . . 1.3700000000000001 108.468 178.971 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.62 116.28 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.423 -0.798 . . . . 1.1499999999999999 109.367 -179.545 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.585 HH21 ' H ' ' C' ' 325' ' ' GLY . 29.6 ttt-85 -75.39 149.59 38.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.5 -0.75 . . . . 2.79 109.899 -179.93 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.85 134.28 2.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.138 -1.185 . . . . 0.45000000000000001 110.138 179.46 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.576 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -81.39 -45.71 15.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.085 . . . . 3.1600000000000001 109.249 179.549 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.75 -41.18 85.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 108.926 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -63.53 -40.34 96.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.381 -0.824 . . . . 3.54 109.158 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -55.3 -54.9 37.68 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.505 -0.747 . . . . 0.5 109.698 -179.988 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.11 -37.07 52.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.75 -179.91 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.55 -51.3 67.9 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.161 -179.496 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -44.9 96.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.189 -0.944 . . . . 0.34000000000000002 109.085 -179.898 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.31 -39.17 56.34 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.272 -0.892 . . . . 2.9399999999999999 109.329 179.768 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.03 -53.96 50.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.74 109.854 -179.836 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.37 -39.5 87.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 108.688 179.703 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.99 -55.23 37.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.538 -0.726 . . . . 1.22 109.385 179.629 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.64 -34.33 77.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 1.72 109.652 -179.94 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.5 73.71 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.307 -0.871 . . . . 1.0700000000000001 109.674 -179.79 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.36 -46.18 89.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.314 179.854 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.97 -32.43 69.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.492 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.12 -52.79 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.332 -0.855 . . . . 1.1499999999999999 109.215 179.943 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.377 -0.827 . . . . 2.1400000000000001 109.122 179.873 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.45 68.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.583 -0.698 . . . . 1.4299999999999999 109.546 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -36.79 82.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.88 . . . . 1.3 109.803 -179.638 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.2 -6.97 59.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.24 -0.912 . . . . 1.4199999999999999 109.544 -179.851 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 1.5800000000000001 109.332 179.917 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 -3.26 86.56 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.59 -1.404 . . . . 1.54 109.59 179.971 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.77 -79.2 0.25 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -1.145 . . . . 4.5499999999999998 109.741 -179.671 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -45.34 108.76 0.81 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.385 -0.822 . . . . 5.71 109.734 -179.635 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.5 155.29 58.98 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 120.637 0.892 . . . . 6.0899999999999999 110.061 -179.698 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.407 -1.477 . . . . 7.2400000000000002 109.407 179.908 . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.384 -0.599 . . . . 7.6699999999999999 109.384 . . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 321' ' ' LYS . 37.8 tttm 73.96 -53.5 0.69 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.628 -0.67 . . . . 7.46 109.514 -179.925 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' B' ' 323' ' ' LEU . 34.4 mttm 60.48 147.0 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 6.79 109.767 179.811 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -65.08 8.12 0.24 Allowed 'Trans proline' 0 N--CA 1.482 0.85 0 C-N-CA 121.068 1.178 . . . . 5.1500000000000004 110.641 179.76 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.3 mt -80.8 17.27 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.968 -1.083 . . . . 4.6600000000000001 110.059 -179.465 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.422 ' CG ' ' HZ1' ' B' ' 320' ' ' LYS . 16.6 m-20 -79.46 -140.13 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.468 -0.77 . . . . 2.4700000000000002 109.604 179.796 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.587 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -68.83 156.87 53.43 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.681 -1.368 . . . . 1.0600000000000001 109.681 -179.913 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.69 129.97 44.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.312 -1.111 . . . . 1.6100000000000001 109.472 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -94.65 156.22 16.51 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.96999999999999997 109.935 -179.861 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.83 -169.12 2.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.495 -0.753 . . . . 0.59999999999999998 109.42 -179.986 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.0 p -151.54 148.54 28.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.142 -0.974 . . . . 1.1000000000000001 109.001 -179.835 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.03 135.65 29.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.71 -178.965 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.76 131.47 34.31 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.438 -0.949 . . . . 1.3600000000000001 108.438 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.54 116.19 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.502 -0.749 . . . . 1.1699999999999999 109.492 -179.62 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.579 HH21 ' H ' ' D' ' 325' ' ' GLY . 29.6 ttt-85 -75.3 149.55 38.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.501 -0.749 . . . . 2.79 109.9 -179.924 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.28 2.97 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.11 -1.196 . . . . 0.47999999999999998 110.11 179.422 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -81.33 -45.87 15.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -1.058 . . . . 3.2200000000000002 109.158 179.613 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.77 -41.07 85.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.102 -0.999 . . . . 2.21 108.947 179.677 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -63.65 -40.25 96.4 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.33 -0.856 . . . . 3.5499999999999998 109.125 179.667 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -55.41 -54.87 38.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.593 -0.692 . . . . 0.52000000000000002 109.598 -179.885 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.09 -37.11 52.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.723 -179.884 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.46 -51.34 67.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.902 . . . . 1.1499999999999999 110.2 -179.534 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.32 -44.8 96.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.33000000000000002 109.116 -179.923 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.36 -39.2 56.61 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.228 -0.92 . . . . 3.02 109.236 179.765 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.1 -54.03 49.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 1.75 109.783 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.28 -39.53 87.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.065 -1.022 . . . . 1.0700000000000001 108.651 179.737 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.97 -55.28 37.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 1.21 109.398 179.661 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.63 -34.23 77.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.584 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.94 -50.55 73.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.268 -0.895 . . . . 1.0600000000000001 109.599 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.28 -46.26 89.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 1.0800000000000001 109.327 179.868 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.75 -32.66 69.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 1.9299999999999999 109.449 -179.957 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.08 -52.8 53.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 1.1399999999999999 109.169 -179.945 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.18 89.73 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.328 -0.858 . . . . 2.1899999999999999 109.15 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.44 68.9 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.534 -0.729 . . . . 1.4299999999999999 109.481 179.88 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -36.82 82.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 1.3100000000000001 109.763 -179.618 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.1 -7.02 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 1.3999999999999999 109.602 -179.868 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.52 -11.03 60.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 1.5700000000000001 109.365 179.917 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 -3.37 86.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.586 -1.406 . . . . 1.53 109.586 179.962 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.61 -79.23 0.24 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -1.131 . . . . 4.5800000000000001 109.786 -179.706 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -45.33 108.75 0.81 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 5.6799999999999997 109.752 -179.595 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.5 155.18 59.66 Favored 'Trans proline' 0 N--CA 1.479 0.641 0 C-N-CA 120.758 0.972 . . . . 6.0499999999999998 110.025 -179.682 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.432 -1.467 . . . . 7.2000000000000002 109.432 179.833 . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 78.5 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.347 -0.612 . . . . 9.2200000000000006 109.347 . . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' C' ' 321' ' ' LYS . 37.7 tttm 73.9 -53.5 0.69 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.713 -0.617 . . . . 8.5099999999999998 109.603 -179.855 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' C' ' 323' ' ' LEU . 34.4 mttm 60.52 146.93 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 7.4199999999999999 109.759 179.75 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -64.96 7.95 0.24 Allowed 'Trans proline' 0 N--CA 1.483 0.855 0 C-N-CA 121.172 1.248 . . . . 5.0499999999999998 110.588 179.792 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.2 mt -80.7 17.31 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.947 -1.095 . . . . 5.1399999999999997 110.099 -179.497 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.41 ' CG ' ' HZ1' ' C' ' 320' ' ' LYS . 16.8 m-20 -79.5 -140.19 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.426 -0.797 . . . . 2.8500000000000001 109.559 179.814 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.585 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -68.8 156.92 53.39 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.651 -1.38 . . . . 1.27 109.651 -179.88 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.7 129.95 44.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -1.157 . . . . 2.1099999999999999 109.524 -179.946 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.59 156.22 16.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.138 -0.976 . . . . 1.01 109.947 -179.869 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.88 -169.07 2.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.565 -0.71 . . . . 0.57999999999999996 109.399 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.5 p -151.61 148.5 28.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 1.1599999999999999 108.936 -179.785 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.6 tp -142.0 135.69 29.54 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.344 -0.847 . . . . 1.1699999999999999 109.705 -179.041 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.81 131.48 34.3 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.52 116.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.451 -0.781 . . . . 1.1299999999999999 109.402 -179.587 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.577 HH21 ' H ' ' A' ' 325' ' ' GLY . 29.7 ttt-85 -75.36 149.5 38.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.638 -0.664 . . . . 2.8199999999999998 109.897 -179.984 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.23 2.96 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.15 -1.18 . . . . 0.45000000000000001 110.15 179.4 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -81.21 -45.89 15.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -1.096 . . . . 3.0800000000000001 109.242 179.588 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.72 -41.07 85.54 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.135 -0.978 . . . . 2.54 108.959 179.672 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.69 -40.26 96.37 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 4.1100000000000003 109.113 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -55.25 -55.01 36.27 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.541 -0.724 . . . . 0.56999999999999995 109.591 -179.934 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.08 -37.06 52.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.783 -179.855 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.5 -51.42 67.49 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.247 -0.908 . . . . 1.29 110.118 -179.507 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.27 -44.89 96.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.179 -0.951 . . . . 0.40000000000000002 109.053 -179.821 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.27 -39.26 56.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 3.8500000000000001 109.298 179.705 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.06 -54.01 50.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.78 109.849 -179.795 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.27 -39.54 87.21 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.193 -0.942 . . . . 1.1699999999999999 108.704 179.67 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.95 -55.24 37.66 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.542 -0.723 . . . . 1.2 109.461 179.568 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.74 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 2.1200000000000001 109.611 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.6 73.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.635 -179.828 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.34 -46.18 89.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.354 179.919 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.85 -32.47 69.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.325 -0.86 . . . . 2.0899999999999999 109.47 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.17 -52.77 52.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 1.3799999999999999 109.193 179.992 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.4 -46.18 89.74 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.318 -0.863 . . . . 2.6800000000000002 109.173 179.855 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.57 -32.33 68.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.612 -0.68 . . . . 1.3400000000000001 109.572 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.86 82.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 1.3 109.751 -179.643 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.13 -7.05 59.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.145 -0.972 . . . . 1.8 109.552 -179.829 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -11.07 60.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.915 . . . . 1.47 109.428 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -3.47 86.65 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.555 -1.418 . . . . 1.6599999999999999 109.555 179.97 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.62 -79.18 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.246 -1.149 . . . . 4.7800000000000002 109.828 -179.69 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -45.32 108.75 0.81 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.414 -0.804 . . . . 6.1900000000000004 109.756 -179.659 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.52 155.19 59.7 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 C-N-CA 120.673 0.916 . . . . 6.1799999999999997 110.058 -179.715 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.466 -1.454 . . . . 6.9000000000000004 109.466 179.924 . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.358 -0.608 . . . . 7.6900000000000004 109.358 . . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' D' ' 321' ' ' LYS . 37.7 tttm 73.94 -53.52 0.69 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.6 . . . . 7.4500000000000002 109.581 -179.876 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' D' ' 323' ' ' LEU . 34.3 mttm 60.57 146.97 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.631 -0.668 . . . . 6.8399999999999999 109.764 179.754 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -65.1 8.04 0.24 Allowed 'Trans proline' 0 N--CA 1.483 0.864 0 C-N-CA 121.191 1.26 . . . . 5.1200000000000001 110.592 179.752 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.2 mt -80.67 17.2 1.18 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.91 -1.119 . . . . 4.6600000000000001 110.088 -179.546 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.417 ' CG ' ' HZ1' ' D' ' 320' ' ' LYS . 16.8 m-20 -79.49 -140.08 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.395 -0.816 . . . . 2.46 109.566 179.87 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.579 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -68.86 157.0 53.45 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.683 -1.367 . . . . 1.0800000000000001 109.683 -179.898 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.77 129.93 44.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -1.174 . . . . 1.6699999999999999 109.468 -179.906 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -94.65 156.31 16.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.263 -0.898 . . . . 1.01 109.874 -179.807 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.89 -169.16 2.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.51 -0.744 . . . . 0.63 109.402 -179.932 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 46.6 p -151.52 148.65 28.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.139 -0.975 . . . . 1.1299999999999999 109.001 -179.909 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.11 135.52 29.17 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.369 -0.832 . . . . 1.1000000000000001 109.673 -178.942 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.68 131.46 34.33 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.5 -0.926 . . . . 1.3700000000000001 108.5 178.954 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.52 116.26 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.486 -0.758 . . . . 1.1499999999999999 109.381 -179.53 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.587 HH21 ' H ' ' B' ' 325' ' ' GLY . 29.7 ttt-85 -75.24 149.45 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.618 -0.676 . . . . 2.77 109.877 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.82 134.23 2.94 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.144 -1.182 . . . . 0.42999999999999999 110.144 179.365 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.563 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -81.23 -45.76 15.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.43 -1.041 . . . . 3.1200000000000001 109.247 179.612 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.83 -41.08 86.03 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 2.2200000000000002 108.899 179.695 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.6 -40.26 96.48 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.322 -0.861 . . . . 3.5 109.16 179.657 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.37 -54.85 38.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.52 -0.737 . . . . 0.5 109.637 -179.97 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.23 -37.07 54.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.712 -179.816 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.44 -51.39 67.7 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 110.188 -179.553 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.187 -0.946 . . . . 0.32000000000000001 109.149 -179.961 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.24 -39.25 56.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.168 -0.958 . . . . 2.96 109.271 179.688 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.13 -53.94 50.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 109.808 -179.724 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.34 -39.53 87.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.157 -0.964 . . . . 1.0800000000000001 108.646 179.777 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.495 -0.753 . . . . 1.22 109.399 179.626 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.76 -34.16 77.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.41 -0.806 . . . . 1.73 109.586 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.96 -50.52 73.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.598 -179.769 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.33 -46.21 89.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.289 -0.882 . . . . 1.1100000000000001 109.341 179.879 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.84 -32.5 69.48 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.473 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.02 -52.89 53.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 1.1699999999999999 109.234 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.21 89.62 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.355 -0.841 . . . . 2.1499999999999999 109.097 179.903 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.52 -32.41 68.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.55 -0.719 . . . . 1.4399999999999999 109.539 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.83 82.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.3 -0.875 . . . . 1.3 109.772 -179.57 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.06 -7.05 59.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 1.3999999999999999 109.612 -179.928 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.56 -10.98 60.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 1.6000000000000001 109.37 179.888 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -3.37 86.66 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.574 -1.411 . . . . 1.5 109.574 179.909 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.67 -79.21 0.25 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.304 -1.115 . . . . 4.5499999999999998 109.741 -179.624 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -45.35 108.75 0.81 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 5.6699999999999999 109.736 -179.65 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.59 155.28 59.54 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 120.641 0.894 . . . . 6.1200000000000001 110.053 -179.667 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.953 -1.471 . . . . 7.2699999999999996 109.496 179.9 . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.201 0.524 . . . . 1.7 109.669 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 44.3 m-85 -94.26 157.02 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.252 -0.905 . . . . 0.61 109.368 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -138.8 -170.53 2.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.325 -0.859 . . . . 0.58 109.404 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -151.45 146.45 25.94 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.704 -0.85 . . . . 0.42 108.704 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.41 135.68 32.3 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.376 -0.827 . . . . 0.36 109.699 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.47 34.58 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.495 -0.928 . . . . 1.37 108.495 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.2 113.86 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.419 -0.801 . . . . 0.47 109.205 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.36 151.46 41.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.655 -0.653 . . . . 2.1 109.792 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 137.37 2.89 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.067 -1.213 . . . . 0.42 110.067 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -81.88 -45.6 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.368 -1.078 . . . . 2.68 109.353 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.37 -43.6 83.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.205 -0.934 . . . . 2.22 109.162 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.12 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.346 -0.846 . . . . 2.77 109.297 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.68 -56.5 18.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.613 -0.679 . . . . 0.43 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.97 -39.54 59.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.305 -0.872 . . . . 1.66 109.724 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.2 -51.94 64.29 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.301 -0.874 . . . . 0.44 110.349 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.93 -46.02 92.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.29 108.944 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.39 -42.29 61.31 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.3 -0.875 . . . . 2.44 109.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.4 -44.06 96.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 1.74 109.728 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.19 -46.46 90.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.942 . . . . 0.3 109.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -58.19 -49.35 77.37 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.287 -0.883 . . . . 1.22 109.252 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.8 -38.74 91.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 1.72 109.578 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.61 56.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.27 109.759 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.72 -43.23 98.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.29 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.47 -35.46 74.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.902 . . . . 1.91 109.147 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.83 -46.67 84.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.876 . . . . 0.41 108.96 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.15 -50.58 67.65 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.738 -0.838 . . . . 1.56 108.738 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.41 75.32 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.623 -0.673 . . . . 1.43 109.197 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.68 64.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.838 . . . . 0.66 109.685 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 1.18 109.407 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.256 0.55 . . . . 1.61 109.646 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 44.5 m-85 -94.19 157.2 16.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.922 . . . . 0.57 109.418 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -138.97 -170.68 2.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.841 . . . . 0.53 109.402 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.43 146.47 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.759 -0.83 . . . . 0.38 108.759 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.39 135.7 32.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.351 -0.843 . . . . 0.36 109.805 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.36 34.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.523 -0.917 . . . . 1.36 108.523 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.09 113.73 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.482 -0.761 . . . . 0.49 109.283 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.22 151.39 41.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.634 -0.666 . . . . 2.1 109.864 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.09 137.32 2.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.039 -1.224 . . . . 0.44 110.039 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.94 -45.52 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.413 -1.051 . . . . 2.72 109.237 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.59 83.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.231 -0.918 . . . . 2.21 109.162 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.335 -0.853 . . . . 2.79 109.287 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.62 -56.49 18.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.531 -0.731 . . . . 0.45 109.768 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.91 -39.58 59.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.855 . . . . 1.68 109.685 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.22 -51.95 64.17 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.337 -0.852 . . . . 0.43 110.317 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.97 -45.95 92.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.28 108.948 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.34 -42.31 61.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 2.52 109.302 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.48 -44.02 96.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.235 -0.915 . . . . 1.75 109.657 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.21 -46.48 90.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.208 -0.932 . . . . 0.31 109.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.16 -49.4 77.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.36 -0.838 . . . . 1.21 109.321 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.78 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.354 -0.841 . . . . 1.69 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -53.51 57.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 0.27 109.8 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.93 -43.01 99.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.3 109.258 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.75 -35.28 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.315 -0.866 . . . . 1.93 109.087 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.86 -46.7 83.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 0.4 109.025 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.06 -50.61 67.69 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.59 108.762 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -37.39 75.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 109.171 -0.678 . . . . 1.43 109.171 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 0.65 109.667 -179.848 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.203 0.525 . . . . 2.11 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 45.2 m-85 -94.26 157.14 16.19 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.279 -0.888 . . . . 0.64 109.379 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.88 -170.7 2.92 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.36 -0.837 . . . . 0.49 109.39 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -151.46 146.4 25.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 0.47 108.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 61.2 tp -140.31 135.77 32.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.412 -0.805 . . . . 0.42 109.792 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.52 130.46 34.57 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.534 -0.914 . . . . 1.81 108.534 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.17 113.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.471 -0.768 . . . . 0.42 109.229 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.29 151.38 41.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.723 -0.611 . . . . 2.35 109.83 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.08 137.38 2.95 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.989 -1.244 . . . . 0.41 109.989 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.98 -45.52 15.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.397 -1.061 . . . . 2.59 109.235 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.42 -43.54 83.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.955 . . . . 2.54 109.156 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -63.28 -41.74 99.03 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.318 -0.864 . . . . 3.39 109.304 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.69 -56.45 18.99 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.53 -0.731 . . . . 0.47 109.742 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.99 -39.5 59.5 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.347 -0.846 . . . . 1.66 109.758 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.25 -52.0 63.92 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.322 -0.861 . . . . 0.61 110.297 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.85 -45.97 92.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.33 109.02 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.38 -42.33 61.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.224 -0.922 . . . . 3.28 109.27 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.47 -43.99 96.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.871 . . . . 1.78 109.74 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.13 -46.56 90.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.38 109.154 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -58.12 -49.41 77.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.286 -0.884 . . . . 1.2 109.282 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.79 91.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.329 -0.857 . . . . 2.12 109.589 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.45 58.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.373 -0.83 . . . . 0.26 109.771 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.83 -43.11 98.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.4 109.27 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.65 -35.37 74.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 2.09 109.087 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.84 -46.74 83.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.437 -0.789 . . . . 0.75 108.943 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.05 -50.67 67.5 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.764 -0.828 . . . . 2.19 108.764 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.34 75.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.225 -0.657 . . . . 1.34 109.225 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.72 109.679 -179.853 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.184 0.516 . . . . 1.67 109.669 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 44.5 m-85 -94.22 157.07 16.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.61 109.37 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.84 -170.59 2.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.288 -0.882 . . . . 0.56 109.418 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -151.46 146.5 25.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.319 -0.863 . . . . 0.43 108.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.3 tp -140.4 135.67 32.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.446 -0.784 . . . . 0.35 109.722 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.5 130.43 34.58 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.463 -0.939 . . . . 1.37 108.463 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.17 113.85 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.682 0.753 . . . . 0.48 109.183 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -73.32 151.43 41.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.689 -0.632 . . . . 2.08 109.795 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.94 137.37 2.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.048 -1.221 . . . . 0.4 110.048 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -82.04 -45.42 15.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -1.057 . . . . 2.64 109.289 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.6 83.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.304 -0.873 . . . . 2.22 109.106 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.23 -41.83 99.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.322 -0.861 . . . . 2.74 109.287 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.66 -56.51 18.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.545 -0.722 . . . . 0.43 109.72 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.9 -39.62 59.36 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.26 -0.9 . . . . 1.69 109.745 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.15 -52.0 64.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.265 -0.897 . . . . 0.43 110.301 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.9 -45.95 92.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.27 108.993 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.46 -42.22 61.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.288 -0.882 . . . . 2.45 109.306 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.41 -44.13 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.247 -0.908 . . . . 1.75 109.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.12 -46.5 90.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.239 -0.913 . . . . 0.31 109.182 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 1.22 109.281 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.75 -38.82 92.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 1.73 109.581 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.56 57.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.293 -0.879 . . . . 0.28 109.806 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.83 -43.2 98.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.31 109.281 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.57 -35.33 74.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.881 . . . . 1.91 109.15 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.83 -46.71 83.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 0.43 109.063 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.09 -50.63 67.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.746 -0.835 . . . . 1.57 108.746 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.625 -0.672 . . . . 1.44 109.187 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -19.73 64.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.64 109.677 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 1.21 109.433 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.22 0.533 . . . . 1.7 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -95.03 155.47 16.72 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.258 -0.901 . . . . 0.61 109.718 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.22 138.67 31.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.226 -0.921 . . . . 0.58 109.1 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -96.36 161.71 13.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.304 -0.872 . . . . 0.42 109.024 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.6 tp -149.31 135.29 18.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 0.36 110.253 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.57 34.74 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.635 -0.876 . . . . 1.37 108.635 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -124.33 118.06 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 CA-C-O 121.663 0.744 . . . . 0.47 109.958 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.43 147.71 35.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.62 -0.675 . . . . 2.1 109.801 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.49 137.64 5.43 Favored Glycine 0 N--CA 1.496 2.681 0 O-C-N 121.139 -0.976 . . . . 0.42 110.755 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.43 -43.36 13.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.549 -0.971 . . . . 2.68 109.252 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.27 -45.92 91.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.186 -0.946 . . . . 2.22 109.547 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.507 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -62.94 -40.71 98.47 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.249 -0.907 . . . . 2.77 109.667 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -52.64 52.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.406 -0.808 . . . . 0.43 109.616 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.25 -38.52 63.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 1.66 110.037 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 60.0 ttp -64.61 -50.16 68.23 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.221 -0.925 . . . . 0.44 110.621 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -59.71 -44.71 93.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.082 -1.011 . . . . 0.29 109.016 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.84 -45.96 59.9 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.393 -0.817 . . . . 2.44 109.54 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.06 -48.56 81.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 1.74 110.051 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.73 -38.8 86.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.3 109.164 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -59.12 -53.11 62.03 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.385 -0.822 . . . . 1.22 109.827 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.98 -33.7 76.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.72 110.105 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.2 -55.71 31.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.937 . . . . 0.27 110.318 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.23 -41.84 97.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.29 109.53 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.46 75.03 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.1 -1.0 . . . . 1.91 109.011 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.95 -52.03 53.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.461 -0.775 . . . . 0.41 109.549 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.34 -38.77 90.76 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.699 0.762 . . . . 1.56 109.059 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.32 -39.08 69.54 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.62 -0.675 . . . . 1.43 109.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.76 47.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.66 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.845 . . . . 1.18 109.849 -179.65 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.203 0.525 . . . . 1.61 109.749 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -95.01 155.43 16.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.29 -0.881 . . . . 0.57 109.649 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -142.14 138.69 31.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.303 -0.873 . . . . 0.53 109.087 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -96.31 161.82 13.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.38 109.061 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.8 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 0.36 110.18 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.52 34.72 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.652 -0.87 . . . . 1.36 108.652 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.26 118.13 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-O 121.643 0.735 . . . . 0.49 109.883 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -77.55 147.79 35.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.598 -0.689 . . . . 2.1 109.76 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.54 137.69 5.47 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.691 -0.964 . . . . 0.44 110.691 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.44 -43.41 13.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.471 -1.017 . . . . 2.72 109.263 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.25 -45.83 91.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 2.21 109.563 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.504 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.5 ttm-85 -63.06 -40.67 98.39 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 2.79 109.592 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.58 -52.5 54.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.455 -0.778 . . . . 0.45 109.611 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -53.24 -38.54 63.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 1.68 110.029 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.63 -50.23 67.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 0.43 110.577 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -59.74 -44.72 93.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.28 108.975 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.75 -46.05 59.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.383 -0.823 . . . . 2.52 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.06 -48.61 80.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 1.75 110.047 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.65 -38.77 85.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.31 109.267 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.21 -53.12 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.21 109.731 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.02 -33.69 76.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.69 110.115 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.27 -55.64 32.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.214 -0.929 . . . . 0.27 110.272 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.2 -41.85 97.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.3 109.615 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.01 -35.44 75.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 1.93 108.995 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.98 -51.82 54.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.463 -0.773 . . . . 0.4 109.571 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.38 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.355 -0.841 . . . . 1.59 108.984 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.25 -39.07 69.34 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.616 -0.678 . . . . 1.43 109.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.65 109.631 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.251 0.548 . . . . 2.11 109.741 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -95.09 155.51 16.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -0.878 . . . . 0.64 109.705 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.2 138.58 31.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.216 -0.927 . . . . 0.49 109.075 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -96.22 161.6 13.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.919 . . . . 0.47 109.104 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.2 tp -149.26 135.45 19.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.972 . . . . 0.42 110.165 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.34 128.55 34.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.635 -0.876 . . . . 1.81 108.635 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.39 118.09 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-O 121.732 0.777 . . . . 0.42 109.881 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.49 147.78 35.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 2.35 109.772 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.57 137.66 5.47 Favored Glycine 0 N--CA 1.497 2.73 0 C-N-CA 120.257 -0.973 . . . . 0.41 110.723 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -85.45 -43.46 13.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -1.027 . . . . 2.59 109.228 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.25 -45.83 91.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.91 . . . . 2.54 109.579 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.514 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.73 98.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.264 -0.898 . . . . 3.39 109.569 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.51 -52.59 53.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.435 -0.791 . . . . 0.47 109.619 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -53.2 -38.57 62.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.882 . . . . 1.66 110.028 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.56 -50.21 68.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.201 -0.937 . . . . 0.61 110.598 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -59.68 -44.73 93.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.33 109.011 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.88 -45.94 60.24 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 3.28 109.553 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.13 -48.56 81.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.385 -0.822 . . . . 1.78 109.999 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.65 -38.77 85.93 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.122 -0.986 . . . . 0.38 109.22 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -59.27 -53.05 62.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 1.2 109.688 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.01 -33.65 76.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 2.12 110.033 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -55.72 31.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.291 -0.881 . . . . 0.26 110.226 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -41.91 97.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.4 109.521 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.95 -35.51 75.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.172 -0.955 . . . . 2.09 109.002 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.89 -51.94 54.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 0.75 109.547 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.39 -38.91 91.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.435 -0.791 . . . . 2.19 109.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.3 -38.99 69.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.659 -0.651 . . . . 1.34 109.477 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.72 109.608 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.347 0.594 . . . . 1.67 109.664 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -95.03 155.56 16.68 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.242 -0.911 . . . . 0.61 109.657 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.25 138.69 31.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.184 -0.947 . . . . 0.56 109.039 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -96.36 161.84 13.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.43 109.055 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.026 . . . . 0.35 110.195 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.18 128.57 34.72 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.703 -0.851 . . . . 1.37 108.703 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.33 118.15 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 CA-C-O 121.603 0.716 . . . . 0.48 109.867 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.59 147.81 35.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.639 -0.663 . . . . 2.08 109.795 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.53 137.56 5.42 Favored Glycine 0 N--CA 1.495 2.613 0 O-C-N 121.189 -0.944 . . . . 0.4 110.764 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -85.4 -43.35 13.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.465 -1.021 . . . . 2.64 109.263 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.34 -45.81 92.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.22 109.527 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.508 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.64 98.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.283 -0.885 . . . . 2.74 109.612 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.67 -52.42 55.93 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.456 -0.777 . . . . 0.43 109.617 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.34 -38.47 63.28 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 1.69 109.999 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 60.0 ttp -64.72 -50.08 68.34 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.197 -0.94 . . . . 0.43 110.638 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.78 -44.72 93.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.064 -1.023 . . . . 0.27 108.977 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -50.78 -46.01 59.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.409 -0.807 . . . . 2.45 109.537 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.11 -48.63 80.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.275 -0.89 . . . . 1.75 110.018 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.58 -38.82 85.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.093 -1.004 . . . . 0.31 109.231 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.15 -53.15 61.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.277 -0.89 . . . . 1.22 109.712 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.01 -33.59 76.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 1.73 110.042 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.29 -55.73 31.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.122 -0.986 . . . . 0.28 110.317 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.26 -41.83 97.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.088 -1.008 . . . . 0.31 109.567 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.51 75.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.136 -0.977 . . . . 1.91 108.972 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.92 -52.02 53.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.42 -0.8 . . . . 0.43 109.571 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.34 -38.85 91.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.379 -0.826 . . . . 1.57 108.993 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.27 -39.11 69.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.719 -0.613 . . . . 1.44 109.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.77 -50.74 48.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 0.64 109.559 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.84 . . . . 1.21 109.865 -179.682 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.318 0.58 . . . . 1.7 109.787 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.77 151.2 19.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.262 -0.899 . . . . 0.61 109.135 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.72 -169.05 2.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.347 -0.845 . . . . 0.58 109.837 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.01 151.61 32.31 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.321 -0.992 . . . . 0.42 108.321 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 65.0 tp -143.53 135.62 26.78 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.279 -0.888 . . . . 0.36 109.895 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.47 128.03 34.36 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.371 -0.974 . . . . 1.37 108.371 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.1 mt -123.75 107.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 108.892 -0.781 . . . . 0.47 108.892 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.52 142.8 42.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.53 -0.731 . . . . 2.1 109.845 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.5 133.3 7.95 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.878 -1.289 . . . . 0.42 109.878 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.71 -46.9 20.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.365 -1.079 . . . . 2.68 109.296 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -58.04 -44.15 87.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.858 . . . . 2.22 109.355 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.12 -43.33 98.72 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.36 -0.837 . . . . 2.77 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -54.41 -58.65 6.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.569 -0.707 . . . . 0.43 109.868 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.32 -40.06 61.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.421 -0.799 . . . . 1.66 109.745 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.223 -0.923 . . . . 0.44 110.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.43 -47.99 83.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.119 -0.988 . . . . 0.29 108.994 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.33 -43.04 61.63 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.377 -0.827 . . . . 2.44 109.682 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.85 -43.46 94.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -0.939 . . . . 1.74 109.939 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.57 -43.78 98.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.3 109.314 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.71 -51.37 69.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.229 -0.92 . . . . 1.22 109.455 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.97 -39.61 95.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.87 . . . . 1.72 109.803 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -52.36 65.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.325 -0.859 . . . . 0.27 109.948 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.29 109.486 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.59 -35.89 75.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.222 -0.924 . . . . 1.91 109.43 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.14 -49.28 74.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.255 -0.903 . . . . 0.41 109.351 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.54 78.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.388 -0.82 . . . . 1.56 108.974 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.29 -31.06 67.12 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.545 -0.722 . . . . 1.43 109.597 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.9 84.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.66 109.93 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.261 -0.899 . . . . 1.18 109.46 -179.879 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.305 0.574 . . . . 1.61 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -93.72 151.09 19.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.192 -0.942 . . . . 0.57 109.105 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -135.67 -169.08 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.327 -0.858 . . . . 0.53 109.8 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -150.98 151.52 32.21 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.371 -0.974 . . . . 0.38 108.371 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.41 135.72 27.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.36 109.847 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.72 128.02 34.4 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.367 -0.975 . . . . 1.36 108.367 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.954 -0.758 . . . . 0.49 108.954 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.44 142.76 42.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.567 -0.708 . . . . 2.1 109.889 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.39 133.23 7.91 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -77.56 -46.95 20.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -1.126 . . . . 2.72 109.38 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.96 -44.27 86.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.375 -0.828 . . . . 2.21 109.314 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.06 -43.35 98.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.314 -0.866 . . . . 2.79 109.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.56 6.98 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.663 -0.648 . . . . 0.45 109.965 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.29 -40.06 61.31 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.359 -0.838 . . . . 1.68 109.778 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -51.26 66.03 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.285 -0.884 . . . . 0.43 109.983 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.44 -47.96 83.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.28 109.003 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.92 61.91 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.338 -0.851 . . . . 2.52 109.64 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 1.75 109.946 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.69 -43.76 98.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.155 -0.966 . . . . 0.31 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.65 -51.34 69.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.266 -0.896 . . . . 1.21 109.443 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.06 -39.54 95.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.69 109.827 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.97 -52.23 66.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -0.884 . . . . 0.27 109.919 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.76 -43.84 98.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.3 109.468 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.47 -36.02 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.93 109.376 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.18 -49.27 74.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.4 109.337 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.08 -48.5 78.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.345 -0.847 . . . . 1.59 108.984 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.26 -31.06 67.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.554 -0.716 . . . . 1.43 109.626 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.927 . . . . 0.65 109.902 -179.559 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.284 0.564 . . . . 2.11 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -93.73 151.0 19.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.885 . . . . 0.64 109.185 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.6 -169.11 2.33 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.327 -0.858 . . . . 0.49 109.831 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.5 p -150.99 151.49 32.16 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.354 -0.98 . . . . 0.47 108.354 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 65.2 tp -143.43 135.72 27.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.216 -0.927 . . . . 0.42 109.838 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.74 127.96 34.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.37 -0.974 . . . . 1.81 108.37 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.62 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 108.885 -0.783 . . . . 0.42 108.885 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.55 142.77 42.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.583 -0.698 . . . . 2.35 109.857 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.36 133.31 7.94 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.887 -1.285 . . . . 0.41 109.887 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.55 -47.03 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -1.085 . . . . 2.59 109.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.0 -44.08 87.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 2.54 109.364 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.24 -43.28 98.48 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.37 -0.831 . . . . 3.39 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.51 -58.51 7.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.66 -0.65 . . . . 0.47 109.897 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.44 -39.91 61.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 1.66 109.761 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.27 66.06 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.227 -0.921 . . . . 0.61 110.014 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.49 -47.92 83.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -0.965 . . . . 0.33 109.013 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.93 61.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.352 -0.842 . . . . 3.28 109.692 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.94 -43.38 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.261 -0.899 . . . . 1.78 109.901 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.65 -43.76 98.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.131 -0.981 . . . . 0.38 109.285 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.73 -51.27 70.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 1.2 109.448 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.02 -39.6 95.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.336 -0.853 . . . . 2.12 109.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -52.26 66.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.907 . . . . 0.26 109.952 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.83 -43.83 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.93 . . . . 0.4 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.43 -36.0 75.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.191 -0.943 . . . . 2.09 109.38 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -49.27 74.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -0.879 . . . . 0.75 109.351 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.438 -0.789 . . . . 2.19 108.925 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.24 -31.09 67.06 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.611 -0.68 . . . . 1.34 109.623 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.72 109.917 -179.536 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.278 0.561 . . . . 1.67 109.835 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.66 151.01 19.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.246 -0.909 . . . . 0.61 109.25 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.65 -169.06 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.406 -0.809 . . . . 0.56 109.836 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.1 151.42 31.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.433 -0.951 . . . . 0.43 108.433 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 65.3 tp -143.34 135.68 27.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.234 -0.917 . . . . 0.35 109.883 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.75 128.11 34.45 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.325 -0.991 . . . . 1.37 108.325 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -123.78 107.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 N-CA-C 108.89 -0.781 . . . . 0.48 108.89 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.42 142.86 42.95 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.631 -0.668 . . . . 2.08 109.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.34 133.26 7.92 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.6 -46.98 20.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.388 -1.066 . . . . 2.64 109.393 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.04 -44.13 87.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 2.22 109.368 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.15 -43.36 98.53 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.38 -0.825 . . . . 2.74 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.58 6.89 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.587 -0.696 . . . . 0.43 109.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.34 -40.01 61.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.374 -0.829 . . . . 1.69 109.793 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.26 66.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.228 -0.92 . . . . 0.43 110.026 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.41 -48.02 83.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.27 109.008 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.37 -42.97 61.73 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.308 -0.87 . . . . 2.45 109.742 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.51 94.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.92 . . . . 1.75 109.89 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.63 -43.81 98.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.31 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -57.55 -51.52 69.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.295 -0.878 . . . . 1.22 109.463 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.98 -39.53 94.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 1.73 109.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.85 -52.3 66.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 0.28 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.84 -43.53 98.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.176 -0.953 . . . . 0.31 109.469 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.75 -35.87 75.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.91 109.407 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.3 -49.23 74.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -0.868 . . . . 0.43 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.07 -48.57 78.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.444 -0.785 . . . . 1.57 108.951 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.25 -31.15 67.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.543 -0.723 . . . . 1.44 109.6 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.0 84.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.255 -0.903 . . . . 0.64 109.939 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.096 -1.003 . . . . 1.21 109.525 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 326' ' ' GLU . 21.1 mp0 . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.541 -0.54 . . . . 1.7 109.541 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 30.4 m-85 -98.0 151.83 19.91 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -0.891 . . . . 0.61 110.418 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.41 135.77 32.4 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.374 -0.973 . . . . 0.58 108.374 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 71.1 p -96.84 160.71 14.21 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.249 -0.907 . . . . 0.42 109.715 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -148.2 134.56 19.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.36 109.81 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.59 129.64 34.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 1.37 109.543 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.96 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 N-CA-C 109.044 -0.725 . . . . 0.47 109.044 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.8 154.9 35.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 2.1 110.19 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 139.26 2.23 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.411 -1.076 . . . . 0.42 110.411 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -82.82 -47.56 11.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.353 -1.087 . . . . 2.68 109.342 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.54 -37.5 73.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 2.22 108.831 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.86 -38.91 90.03 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.394 -0.816 . . . . 2.77 109.23 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.54 -52.2 64.5 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.566 -0.709 . . . . 0.43 109.878 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.35 -39.13 60.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 1.66 109.956 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.97 -53.37 55.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 0.44 110.054 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.84 -45.1 95.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.995 . . . . 0.29 108.94 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.23 -41.68 60.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 2.44 109.213 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.92 63.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 1.74 109.503 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -38.88 86.03 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.161 -0.962 . . . . 0.3 108.563 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -55.8 30.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.426 -0.796 . . . . 1.22 109.361 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.14 -34.07 76.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 1.72 109.497 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.77 -55.34 34.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -0.863 . . . . 0.27 109.756 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.73 -44.77 96.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 0.29 109.64 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.09 -34.81 73.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.906 . . . . 1.91 109.231 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.57 -50.74 66.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.355 -0.841 . . . . 0.41 109.667 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.08 99.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 1.56 109.061 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.51 -33.78 66.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.488 -0.758 . . . . 1.43 109.406 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.05 -47.82 67.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.265 -0.897 . . . . 0.66 109.672 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 1.18 109.643 -179.877 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' B' ' 326' ' ' GLU . 21.2 mp0 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.316 0.579 . . . . 1.61 109.504 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.4 m-85 -97.98 151.6 20.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.221 -0.924 . . . . 0.57 110.438 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.15 135.82 32.86 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.29 -1.004 . . . . 0.53 108.29 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.9 p -96.81 160.82 14.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.262 -0.899 . . . . 0.38 109.74 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -148.24 134.44 19.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.355 -0.84 . . . . 0.36 109.843 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.45 129.51 34.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 1.36 109.593 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.3 mt -124.06 115.88 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.547 -0.721 . . . . 0.49 109.108 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -75.67 155.13 36.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.365 -0.834 . . . . 2.1 110.206 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.14 139.2 2.1 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.429 -1.068 . . . . 0.44 110.429 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -82.7 -47.76 11.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -1.08 . . . . 2.72 109.264 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.5 -37.49 73.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.99 . . . . 2.21 108.814 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -61.79 -39.0 90.16 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.482 -0.761 . . . . 2.79 109.257 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.46 -52.14 64.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.482 -0.761 . . . . 0.45 110.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.37 -39.11 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 1.68 110.022 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -63.0 -53.33 55.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.201 -0.937 . . . . 0.43 110.107 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.85 -45.06 96.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.28 108.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.2 -41.81 60.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 2.52 109.214 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.54 -52.82 64.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 1.75 109.61 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.55 -38.89 85.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.31 108.607 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.63 -55.59 32.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.434 -0.791 . . . . 1.21 109.352 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.25 -33.96 76.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.393 -0.817 . . . . 1.69 109.536 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.83 -55.49 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -0.888 . . . . 0.27 109.831 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.59 -44.92 96.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.255 -0.903 . . . . 0.3 109.566 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.125 -0.985 . . . . 1.93 109.393 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.62 -50.63 66.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.279 -0.888 . . . . 0.4 109.646 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.12 -43.14 99.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 1.59 109.013 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -56.43 -33.8 66.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.591 -0.693 . . . . 1.43 109.452 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.65 109.6 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.529 -0.545 . . . . 2.11 109.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 31.0 m-85 -98.08 151.72 20.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.268 -0.895 . . . . 0.64 110.397 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.26 135.9 32.77 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.373 -0.973 . . . . 0.49 108.373 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -96.94 160.77 14.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.333 -0.854 . . . . 0.47 109.737 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.0 tp -148.22 134.56 19.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.859 . . . . 0.42 109.824 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.48 129.54 34.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.475 -0.765 . . . . 1.81 109.607 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.12 116.0 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.536 -0.727 . . . . 0.42 109.059 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.82 155.07 35.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.414 -0.804 . . . . 2.35 110.132 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 139.23 2.18 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.371 -1.092 . . . . 0.41 110.371 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.8 -47.66 11.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -1.076 . . . . 2.59 109.247 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.44 -37.55 73.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 2.54 108.837 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.76 -39.07 90.33 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.387 -0.821 . . . . 3.39 109.27 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -55.48 -52.18 64.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -0.779 . . . . 0.47 109.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.42 -39.08 60.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.333 -0.854 . . . . 1.66 109.977 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.02 -53.36 55.11 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.191 -0.943 . . . . 0.61 110.065 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.84 -45.1 95.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.33 108.877 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.21 -41.83 60.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.845 . . . . 3.28 109.189 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -58.51 -52.81 64.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 1.78 109.595 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.52 -38.95 86.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.38 108.606 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.59 -55.72 31.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.364 -0.835 . . . . 1.2 109.34 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.11 -34.04 76.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 2.12 109.521 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.89 -55.4 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.318 -0.864 . . . . 0.26 109.763 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.63 -44.95 96.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.28 -0.888 . . . . 0.4 109.626 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.85 -34.87 73.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 2.09 109.341 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.66 -50.61 66.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.356 -0.84 . . . . 0.75 109.644 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.14 99.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.379 -0.825 . . . . 2.19 109.013 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -56.48 -33.8 66.31 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.417 -0.802 . . . . 1.34 109.349 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.285 -0.885 . . . . 0.72 109.608 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' D' ' 326' ' ' GLU . 21.1 mp0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.304 0.574 . . . . 1.67 109.542 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 30.1 m-85 -97.94 151.94 19.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.221 -0.924 . . . . 0.61 110.413 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.55 135.82 32.23 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.313 -0.995 . . . . 0.56 108.313 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 70.5 p -96.84 160.77 14.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.287 -0.883 . . . . 0.43 109.725 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 35.7 tp -148.26 134.54 19.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.854 . . . . 0.35 109.821 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.5 129.67 34.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.821 . . . . 1.37 109.542 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.98 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.519 -0.738 . . . . 0.48 109.1 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.73 154.96 36.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.808 . . . . 2.08 110.171 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.3 139.18 2.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.383 -1.087 . . . . 0.4 110.383 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.68 -47.66 11.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -1.152 . . . . 2.64 109.252 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -57.5 -37.65 73.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.051 -1.03 . . . . 2.22 108.799 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.73 -38.99 90.0 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.503 -0.748 . . . . 2.74 109.213 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.52 -52.09 64.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.586 -0.696 . . . . 0.43 109.927 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.4 -39.18 60.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 1.69 109.932 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.01 -53.29 56.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.078 -1.013 . . . . 0.43 110.135 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.82 -45.07 95.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.27 108.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.24 -41.75 60.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 2.45 109.163 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.81 64.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.75 109.598 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.6 -38.92 86.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.202 -0.936 . . . . 0.31 108.579 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.56 -55.64 32.18 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.422 -0.799 . . . . 1.22 109.355 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.2 -34.16 77.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 1.73 109.533 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -55.33 34.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.86 . . . . 0.28 109.782 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.68 -44.79 96.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.833 . . . . 0.31 109.672 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.14 -34.8 74.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.91 109.265 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.6 -50.67 66.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -0.882 . . . . 0.43 109.686 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.13 99.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 1.57 108.999 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.44 -33.87 66.27 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.432 -0.792 . . . . 1.44 109.423 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.82 67.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.64 109.634 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.297 -0.877 . . . . 1.21 109.679 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.277 -0.638 . . . . 1.7 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.91 145.82 26.07 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.384 -0.822 . . . . 0.61 110.036 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -140.43 136.58 33.19 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.443 -0.947 . . . . 0.58 108.443 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.67 162.42 13.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.37 -0.831 . . . . 0.42 109.181 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 41.0 tp -149.4 132.32 16.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 0.36 109.941 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.41 126.39 33.2 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.614 -0.884 . . . . 1.37 108.614 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.83 111.0 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 O-C-N 121.587 -0.696 . . . . 0.47 109.302 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.81 150.25 37.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.368 -0.832 . . . . 2.1 109.712 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.74 138.58 8.15 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.973 -1.251 . . . . 0.42 109.973 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -84.72 -51.18 6.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -1.07 . . . . 2.68 109.499 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.63 -42.28 83.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 2.22 109.33 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.56 -44.72 96.52 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.332 -0.855 . . . . 2.77 109.339 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.9 -55.1 34.24 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.673 -0.642 . . . . 0.43 109.772 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -52.39 -38.2 58.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.66 109.936 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.23 70.49 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 0.44 110.615 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.34 -43.09 99.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.29 109.17 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.69 -44.46 63.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 2.44 109.386 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.79 -45.85 92.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.306 -0.871 . . . . 1.74 109.725 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.29 -0.881 . . . . 0.3 109.224 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.44 -50.83 72.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.203 -0.935 . . . . 1.22 109.322 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.2 -36.68 82.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 1.72 109.355 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -51.35 70.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.304 -0.872 . . . . 0.27 109.626 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 46.9 mt -62.34 -45.25 94.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 0.29 109.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.58 -35.01 73.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 1.91 109.286 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -63.75 -50.32 69.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.418 -0.801 . . . . 0.41 109.182 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.22 -40.07 88.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 1.56 109.034 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 348' ' ' LEU . 1.8 m-20 -56.48 -36.18 68.8 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.642 -0.661 . . . . 1.43 109.516 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.908 . . . . 0.66 109.658 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.421 ' NE2' HD21 ' B' ' 350' ' ' LEU . 76.1 mt-30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.18 109.369 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.402 -0.592 . . . . 1.61 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.9 145.59 26.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.273 -0.892 . . . . 0.57 110.157 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.29 136.44 33.28 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.452 -0.944 . . . . 0.53 108.452 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.2 p -97.53 162.45 13.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.374 -0.829 . . . . 0.38 109.2 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 41.2 tp -149.45 132.35 16.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.258 -0.901 . . . . 0.36 109.906 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.36 126.35 33.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.612 -0.885 . . . . 1.36 108.612 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.77 111.06 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.574 -0.704 . . . . 0.49 109.35 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.89 150.27 37.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.1 109.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.61 8.12 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.032 -1.227 . . . . 0.44 110.032 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -84.79 -51.15 6.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.404 -1.056 . . . . 2.72 109.537 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.54 -42.45 82.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 2.21 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.45 -44.76 96.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.381 -0.825 . . . . 2.79 109.343 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -54.98 -55.07 34.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.579 -0.7 . . . . 0.45 109.759 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -52.37 -38.18 58.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 1.68 109.975 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.44 -50.41 69.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.263 -0.898 . . . . 0.43 110.525 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.22 -43.08 99.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.28 109.213 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.73 -44.43 63.26 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.126 -0.984 . . . . 2.52 109.335 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.86 -45.77 93.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.201 -0.937 . . . . 1.75 109.73 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.174 -0.954 . . . . 0.31 109.219 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.43 -50.94 71.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.21 109.309 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.17 -36.62 82.41 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.287 -0.883 . . . . 1.69 109.398 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.68 -51.32 70.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.27 109.583 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.27 -45.03 95.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.3 109.35 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.9 -34.92 73.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.316 -0.865 . . . . 1.93 109.243 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -63.78 -50.19 69.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.414 -0.804 . . . . 0.4 109.192 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.32 -40.17 89.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 1.59 108.942 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.52 -36.11 68.83 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.649 -0.657 . . . . 1.43 109.514 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 0.65 109.709 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.358 -0.608 . . . . 2.11 109.358 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.95 145.69 26.22 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.221 -0.924 . . . . 0.64 110.145 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.28 136.56 33.41 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.427 -0.953 . . . . 0.49 108.427 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -97.55 162.51 13.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.376 -0.828 . . . . 0.47 109.294 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.5 132.26 15.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.42 110.014 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.33 126.29 33.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.603 -0.888 . . . . 1.81 108.603 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.4 mt -123.8 111.02 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.499 -0.751 . . . . 0.42 109.294 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.75 150.27 37.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.369 -0.832 . . . . 2.35 109.632 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.5 8.06 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.992 -1.243 . . . . 0.41 109.992 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.66 -51.17 7.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -1.061 . . . . 2.59 109.525 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.59 -42.33 82.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 2.54 109.349 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.62 -44.64 96.62 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 3.39 109.303 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -55.03 35.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.604 -0.685 . . . . 0.47 109.685 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.43 -38.26 58.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 1.66 109.968 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.39 -50.26 70.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.61 110.596 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.27 -43.13 99.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 0.33 109.208 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.63 -44.55 62.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 3.28 109.407 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.78 -45.83 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.315 -0.865 . . . . 1.78 109.73 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.53 -43.42 98.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.21 -0.931 . . . . 0.38 109.232 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -58.54 -50.9 72.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 1.2 109.284 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.02 -36.76 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 2.12 109.417 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -51.32 70.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.26 109.552 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 46.5 mt -62.34 -45.04 95.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.4 109.385 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.88 -34.94 73.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 2.09 109.226 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -63.68 -50.19 70.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.331 -0.855 . . . . 0.75 109.255 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.34 -40.18 89.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 2.19 108.996 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' C' ' 348' ' ' LEU . 1.8 m-20 -56.51 -36.12 68.82 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.615 -0.678 . . . . 1.34 109.427 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.877 . . . . 0.72 109.66 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.413 -0.588 . . . . 1.67 109.413 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -97.93 145.6 26.3 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.218 -0.926 . . . . 0.61 110.125 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.3 136.36 33.17 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.526 -0.916 . . . . 0.56 108.526 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.56 162.44 13.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.368 -0.833 . . . . 0.43 109.195 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.38 132.33 16.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.165 -0.959 . . . . 0.35 109.941 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -84.33 126.33 33.11 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.61 -0.885 . . . . 1.37 108.61 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.82 111.05 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.6 -0.688 . . . . 0.48 109.385 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.75 150.18 37.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.482 -0.761 . . . . 2.08 109.732 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.72 138.57 8.14 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.996 -1.242 . . . . 0.4 109.996 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.75 -51.13 7.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -1.073 . . . . 2.64 109.518 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.51 -42.53 82.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.359 -0.838 . . . . 2.22 109.362 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.39 -44.7 96.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.296 -0.878 . . . . 2.74 109.308 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.12 -54.99 36.16 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.585 -0.697 . . . . 0.43 109.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.69 110.025 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.35 70.02 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.43 110.506 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.29 -43.02 99.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.27 109.212 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.71 -44.49 63.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.145 -0.972 . . . . 2.45 109.387 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.84 -45.83 92.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.75 109.689 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.44 -43.56 98.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.051 -1.031 . . . . 0.31 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -58.44 -50.97 71.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 1.22 109.335 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -36.68 82.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.835 . . . . 1.73 109.472 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.34 70.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.352 -0.842 . . . . 0.28 109.62 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.9 mt -62.3 -45.17 94.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.31 109.334 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.74 -34.93 73.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 1.91 109.252 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -63.79 -50.3 69.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.371 -0.831 . . . . 0.43 109.195 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.29 -40.01 88.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 1.57 109.048 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.61 -36.07 69.0 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.69 -0.632 . . . . 1.44 109.423 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.1 83.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.64 109.662 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.434 ' NE2' HD21 ' C' ' 350' ' ' LEU . 76.2 mt-30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 1.21 109.328 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.439 -0.578 . . . . 1.7 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.49 147.79 23.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.301 -0.874 . . . . 0.61 109.915 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.56 -173.26 3.3 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.747 -0.834 . . . . 0.58 108.747 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -150.58 149.92 30.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.171 -0.956 . . . . 0.42 108.637 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.9 tp -142.09 133.28 26.23 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.295 -0.878 . . . . 0.36 109.673 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.44 128.19 34.64 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.962 -0.755 . . . . 1.37 108.962 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.86 114.76 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.5 -0.75 . . . . 0.47 109.269 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -75.38 147.82 39.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.341 -0.849 . . . . 2.1 109.835 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.75 5.36 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.211 -1.155 . . . . 0.42 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.34 -44.38 14.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -1.084 . . . . 2.68 109.223 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.43 -46.7 83.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.866 . . . . 2.22 109.075 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -62.88 -43.05 99.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 109.148 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.81 -55.6 28.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.621 -0.674 . . . . 0.43 109.751 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.75 -37.54 51.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 1.66 109.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -62.92 -52.44 63.05 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.241 -0.912 . . . . 0.44 110.299 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.23 -42.75 99.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.29 109.109 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.95 -42.49 62.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 2.44 109.318 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.95 -51.96 67.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 1.74 109.782 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.35 -38.17 82.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.114 -0.991 . . . . 0.3 108.837 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.32 -54.87 41.81 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.7 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -61.88 -34.14 75.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.72 109.798 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.25 -50.71 72.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.27 109.737 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.86 -42.46 99.08 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.29 109.368 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.38 -40.81 83.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.91 108.888 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.53 -41.92 98.46 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.775 -0.824 . . . . 0.41 108.775 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.252 -0.905 . . . . 1.56 108.712 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.31 66.48 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.197 0.522 . . . . 1.43 109.948 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.52 82.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.983 . . . . 0.66 109.746 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.87 . . . . 1.18 109.832 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.463 -0.569 . . . . 1.61 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -96.45 147.72 23.54 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.343 -0.848 . . . . 0.57 109.941 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -135.5 -173.21 3.28 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.761 -0.829 . . . . 0.53 108.761 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -150.66 149.77 30.26 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.062 -1.024 . . . . 0.38 108.645 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -141.95 133.31 26.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.358 -0.839 . . . . 0.36 109.721 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.38 128.2 34.63 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.962 -0.755 . . . . 1.36 108.962 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.89 114.71 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.53 -0.731 . . . . 0.49 109.294 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -75.22 147.82 40.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 2.1 109.959 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.92 136.73 5.31 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.248 -1.141 . . . . 0.44 110.248 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.33 -44.33 15.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.479 -1.012 . . . . 2.72 109.208 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -57.54 -46.83 83.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.265 -0.897 . . . . 2.21 109.043 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.56 -43.16 99.51 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 2.79 109.206 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -54.81 -55.68 27.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.498 -0.751 . . . . 0.45 109.719 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.77 -37.44 51.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.68 109.901 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.41 63.12 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.202 -0.936 . . . . 0.43 110.354 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.21 -42.78 99.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.117 -0.99 . . . . 0.28 109.053 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.99 -42.49 63.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.52 109.353 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.87 -51.94 67.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.915 . . . . 1.75 109.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.25 -38.29 83.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.083 -1.01 . . . . 0.31 108.858 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.35 -54.85 41.98 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 1.21 109.664 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -34.09 75.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.271 -0.893 . . . . 1.69 109.841 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -50.69 72.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.27 109.781 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.89 -42.45 99.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.16 -0.963 . . . . 0.3 109.389 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -58.42 -40.77 83.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.141 -0.974 . . . . 1.93 108.817 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.4 108.819 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.47 -44.26 97.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 1.59 108.654 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.22 -32.37 66.44 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.78 -0.575 . . . . 1.43 110.021 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.65 109.797 -179.662 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.449 -0.574 . . . . 2.11 109.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.47 147.86 23.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.88 . . . . 0.64 109.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -135.6 -173.21 3.29 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.755 -0.831 . . . . 0.49 108.755 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.3 p -150.6 149.96 30.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.093 -1.005 . . . . 0.47 108.577 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.1 133.34 26.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.372 -0.83 . . . . 0.42 109.666 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.42 128.24 34.65 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.96 -0.756 . . . . 1.81 108.96 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.87 114.74 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.442 -0.786 . . . . 0.42 109.247 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.37 147.76 39.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.81 . . . . 2.35 109.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.78 5.37 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.225 -1.15 . . . . 0.41 110.225 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -83.33 -44.36 14.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.442 -1.034 . . . . 2.59 109.225 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.54 -46.67 83.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.308 -0.87 . . . . 2.54 109.04 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.83 -43.03 99.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.286 -0.884 . . . . 3.39 109.149 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -54.89 -55.66 28.09 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.643 -0.661 . . . . 0.47 109.764 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.68 -37.46 50.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.332 -0.855 . . . . 1.66 109.932 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.45 62.98 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.247 -0.908 . . . . 0.61 110.302 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -42.7 99.07 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.115 -0.991 . . . . 0.33 109.089 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -51.99 -42.55 63.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 3.28 109.297 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.91 -51.9 67.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.78 109.839 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.26 -38.3 83.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.38 108.871 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.34 -54.84 42.17 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.468 -0.77 . . . . 1.2 109.658 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -61.87 -34.09 75.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 2.12 109.783 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -50.69 72.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.26 109.721 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.87 -42.41 99.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.133 -0.98 . . . . 0.4 109.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.09 108.758 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.76 -41.66 97.96 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.775 -0.824 . . . . 0.75 108.775 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.6 -44.2 97.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.19 108.657 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -32.33 66.35 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.191 0.52 . . . . 1.34 110.049 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.72 109.81 -179.722 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.571 . . . . 1.67 109.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -96.38 147.81 23.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.272 -0.892 . . . . 0.61 109.927 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.61 -173.3 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.746 -0.835 . . . . 0.56 108.746 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.6 p -150.67 149.64 30.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.43 108.741 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.6 tp -141.88 133.32 26.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.324 -0.86 . . . . 0.35 109.728 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.46 128.22 34.66 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.954 -0.758 . . . . 1.37 108.954 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.84 114.79 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.462 -0.774 . . . . 0.48 109.266 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.36 147.74 39.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.422 -0.798 . . . . 2.08 109.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.01 136.81 5.39 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.207 -1.157 . . . . 0.4 110.207 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -83.35 -44.38 14.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.417 -1.049 . . . . 2.64 109.235 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -57.5 -46.64 83.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -0.85 . . . . 2.22 109.134 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.84 -43.07 99.78 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.362 -0.836 . . . . 2.74 109.181 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -54.84 -55.66 27.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.554 -0.716 . . . . 0.43 109.758 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -51.68 -37.49 50.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.312 -0.868 . . . . 1.69 109.922 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -63.01 -52.4 63.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.275 -0.891 . . . . 0.43 110.283 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -42.74 99.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.27 109.116 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.98 -42.5 63.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 2.45 109.316 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.99 -51.86 67.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 1.75 109.819 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.27 -38.33 83.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.931 . . . . 0.31 108.836 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.32 -54.84 42.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.453 -0.78 . . . . 1.22 109.634 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -61.89 -34.11 75.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 1.73 109.767 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -50.64 72.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.255 -0.903 . . . . 0.28 109.769 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.92 -42.43 99.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.31 109.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.52 -40.7 83.66 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.241 -0.912 . . . . 1.91 108.824 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.59 -41.73 98.32 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.835 -0.802 . . . . 0.43 108.835 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.55 -44.23 97.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 1.57 108.738 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.27 66.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.842 -0.536 . . . . 1.44 110.034 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.53 82.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 0.64 109.768 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.351 -0.843 . . . . 1.21 109.814 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.242 0.544 . . . . 1.7 109.737 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.67 154.42 17.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.208 -0.933 . . . . 0.61 109.231 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.91 -175.17 4.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.256 -0.902 . . . . 0.58 109.573 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.79 148.36 29.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.296 -0.878 . . . . 0.42 108.716 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.5 tp -141.07 133.3 28.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.359 -0.838 . . . . 0.36 109.819 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.61 131.38 34.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.757 -0.831 . . . . 1.37 108.757 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.1 mt -123.65 110.15 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 CA-C-O 121.642 0.734 . . . . 0.47 109.436 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.409 ' C ' ' CD ' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.14 20.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.605 -0.684 . . . . 2.1 109.413 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.77 130.75 3.93 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.796 -1.321 . . . . 0.42 109.796 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' A' ' 335' ' ' ARG . 19.8 ttt-85 -78.94 -50.38 11.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -1.129 . . . . 2.68 109.105 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.64 -45.07 85.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.335 -0.853 . . . . 2.22 109.239 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.32 -41.09 98.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.298 -0.876 . . . . 2.77 109.447 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.22 -55.93 25.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 0.43 109.944 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.75 -38.32 47.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 1.66 110.021 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.121 -0.987 . . . . 0.44 110.519 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.98 98.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.067 -1.021 . . . . 0.29 109.295 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.48 -44.6 62.53 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.212 -0.93 . . . . 2.44 109.567 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.39 -42.96 99.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 1.74 110.09 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.29 -39.75 91.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.3 109.492 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -58.36 -52.71 64.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 1.22 109.824 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.72 -31.53 72.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 1.72 109.777 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.06 -56.26 24.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 0.27 110.22 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.16 -39.75 91.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 0.29 109.514 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.09 -41.78 88.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.936 . . . . 1.91 109.302 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.21 -42.6 96.54 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.391 -0.966 . . . . 0.41 108.391 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.303 -0.999 . . . . 1.56 108.303 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -32.47 67.27 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.094 -0.706 . . . . 1.43 109.094 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.9 65.79 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.335 -0.853 . . . . 0.66 109.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 1.18 109.218 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.267 0.556 . . . . 1.61 109.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -93.71 154.47 17.78 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.235 -0.916 . . . . 0.57 109.344 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -138.89 -175.13 4.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.248 -0.907 . . . . 0.53 109.512 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.91 148.25 28.89 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.639 -0.875 . . . . 0.38 108.639 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.16 133.26 27.85 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.264 -0.898 . . . . 0.36 109.753 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.58 131.35 34.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.754 -0.832 . . . . 1.36 108.754 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.5 mt -123.58 110.1 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.491 -0.755 . . . . 0.49 109.52 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.411 ' CD ' ' C ' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.16 20.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.643 -0.66 . . . . 2.1 109.414 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.8 130.63 3.91 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.823 -1.311 . . . . 0.44 109.823 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' B' ' 335' ' ' ARG . 20.0 ttt-85 -78.83 -50.33 11.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.298 -1.119 . . . . 2.72 109.121 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.68 -45.1 86.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.872 . . . . 2.21 109.245 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.35 -40.94 98.67 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 2.79 109.394 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.25 -55.96 25.41 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.524 -0.735 . . . . 0.45 109.96 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -38.38 46.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.256 -0.903 . . . . 1.68 110.038 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.19 -51.95 61.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.165 -0.959 . . . . 0.43 110.46 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.94 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.049 -1.032 . . . . 0.28 109.218 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.42 -44.74 62.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.244 -0.91 . . . . 2.52 109.575 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.23 -43.11 99.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.75 110.085 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.3 -39.64 91.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.31 109.482 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.45 -52.7 64.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.939 . . . . 1.21 109.729 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -31.53 72.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.69 109.806 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.97 -56.42 22.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 0.27 110.154 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.14 -39.77 91.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.114 -0.991 . . . . 0.3 109.47 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.02 -41.77 88.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.131 -0.981 . . . . 1.93 109.415 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.21 -42.55 96.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.422 -0.955 . . . . 0.4 108.422 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.36 -45.43 88.23 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.325 -0.991 . . . . 1.59 108.325 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.66 -32.37 67.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.044 -0.724 . . . . 1.43 109.044 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 O-C-N 121.297 -0.877 . . . . 0.65 109.252 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.198 0.523 . . . . 2.11 109.747 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.59 154.45 17.84 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.268 -0.895 . . . . 0.64 109.334 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -138.93 -175.04 4.01 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.309 -0.87 . . . . 0.49 109.535 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.88 148.38 29.06 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.638 -0.875 . . . . 0.47 108.638 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.25 133.2 27.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.875 . . . . 0.42 109.743 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.52 131.34 34.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.746 -0.835 . . . . 1.81 108.746 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.59 110.15 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.366 -0.834 . . . . 0.42 109.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.403 ' CD ' ' C ' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -75.96 120.16 20.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.612 -0.68 . . . . 2.35 109.429 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.82 130.72 3.92 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.758 -1.337 . . . . 0.41 109.758 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' C' ' 335' ' ' ARG . 19.9 ttt-85 -78.88 -50.28 11.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.364 -1.08 . . . . 2.59 109.09 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.78 -45.1 86.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.309 -0.869 . . . . 2.54 109.153 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.355 -0.841 . . . . 3.39 109.475 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.26 -55.92 25.88 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.536 -0.728 . . . . 0.47 109.959 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.82 -38.23 47.5 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 1.66 110.063 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.25 -51.87 61.5 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.15 -0.969 . . . . 0.61 110.473 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.89 98.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.075 -1.015 . . . . 0.33 109.307 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.58 -44.6 62.83 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.127 -0.983 . . . . 3.28 109.593 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.33 -42.97 99.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.78 110.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.24 -39.79 91.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.38 109.507 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.35 -52.71 64.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 1.2 109.754 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -31.45 72.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.224 -0.923 . . . . 2.12 109.786 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.04 -56.32 23.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.89 . . . . 0.26 110.2 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.14 -39.72 91.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 0.4 109.551 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.16 -41.73 89.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.144 -0.972 . . . . 2.09 109.341 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.533 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -64.24 -42.49 96.5 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.397 -0.964 . . . . 0.75 108.397 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.39 -45.48 88.26 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.309 -0.997 . . . . 2.19 108.309 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.54 -32.51 67.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.068 -0.716 . . . . 1.34 109.068 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.371 -0.831 . . . . 0.72 109.253 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.196 0.522 . . . . 1.67 109.694 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -93.69 154.42 17.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.273 -0.892 . . . . 0.61 109.241 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -138.86 -175.09 4.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.56 109.595 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.4 p -149.92 148.28 28.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.43 108.698 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 48.6 tp -141.2 133.17 27.63 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.294 -0.879 . . . . 0.35 109.772 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.44 131.29 34.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.792 -0.818 . . . . 1.37 108.792 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.63 110.02 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.472 -0.768 . . . . 0.48 109.513 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.41 ' CD ' ' C ' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -75.88 120.16 20.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.651 -0.656 . . . . 2.08 109.467 179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.87 130.69 3.91 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 109.765 -1.334 . . . . 0.4 109.765 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' D' ' 335' ' ' ARG . 19.6 ttt-85 -78.96 -50.28 11.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.354 -1.086 . . . . 2.64 109.114 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.61 -45.27 85.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.822 . . . . 2.22 109.173 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.372 -0.83 . . . . 2.74 109.499 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.23 -55.96 25.35 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.411 -0.805 . . . . 0.43 109.929 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.74 -38.4 47.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.69 110.047 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.16 -51.81 62.04 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.224 -0.923 . . . . 0.43 110.526 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.27 109.279 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.54 -44.7 62.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.211 -0.931 . . . . 2.45 109.562 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.35 -42.88 99.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 1.75 110.139 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.28 -39.7 91.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.16 -0.963 . . . . 0.31 109.539 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.37 -52.8 64.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 1.22 109.71 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.65 -31.55 72.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.73 109.823 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.99 -56.42 22.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 0.28 110.145 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.08 -39.79 91.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.31 109.473 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.14 -41.66 88.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.91 109.339 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.547 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.25 -42.59 96.42 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.419 -0.956 . . . . 0.43 108.419 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.289 -1.004 . . . . 1.57 108.289 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.63 -32.45 67.27 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.055 -0.72 . . . . 1.44 109.055 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.95 65.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.64 109.299 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 1.21 109.324 179.705 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.342 0.592 . . . . 1.7 109.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.92 152.88 17.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.254 -0.904 . . . . 0.61 109.745 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.06 -166.78 1.75 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.533 -0.729 . . . . 0.58 109.251 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -151.94 145.69 25.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.939 . . . . 0.42 108.896 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.49 137.43 33.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.363 -0.836 . . . . 0.36 109.847 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.01 133.52 33.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.909 -0.775 . . . . 1.37 108.909 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.36 117.25 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.461 -0.774 . . . . 0.47 109.365 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -75.11 151.53 38.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.641 -0.662 . . . . 2.1 109.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.91 142.83 4.02 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.49 -1.044 . . . . 0.42 110.49 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.35 -48.95 11.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -1.052 . . . . 2.68 109.03 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.37 -37.86 73.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.853 . . . . 2.22 108.749 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.608 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.15 -43.87 87.57 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.377 -0.827 . . . . 2.77 109.03 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.03 -57.39 12.33 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.642 -0.661 . . . . 0.43 109.792 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.58 -39.75 58.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.327 -0.858 . . . . 1.66 109.928 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.51 -52.54 60.79 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.146 -0.971 . . . . 0.44 110.184 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.95 -46.07 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.14 -0.975 . . . . 0.29 109.13 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.81 -41.43 57.36 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.195 -0.941 . . . . 2.44 109.414 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.96 -54.04 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 1.74 109.753 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -38.68 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.172 -0.955 . . . . 0.3 108.663 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.24 -55.62 32.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.7 . . . . 1.22 109.474 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.7 -33.67 75.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 1.72 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -51.55 69.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.381 -0.824 . . . . 0.27 109.541 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.87 -45.65 92.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.29 109.13 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.52 -35.99 73.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 1.91 109.175 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.85 75.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 0.41 109.198 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.8 -44.4 96.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.37 -0.831 . . . . 1.56 108.769 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.78 -32.89 66.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.614 -0.679 . . . . 1.43 109.573 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.24 79.25 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.66 109.639 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 1.18 109.695 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.453 -0.573 . . . . 1.61 109.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -94.89 152.83 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.57 109.709 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.0 -166.8 1.75 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.589 -0.694 . . . . 0.53 109.24 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.92 145.59 24.99 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.192 -0.942 . . . . 0.38 108.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.42 137.46 33.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.402 -0.811 . . . . 0.36 109.846 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.0 133.54 33.91 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.912 -0.773 . . . . 1.36 108.912 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.42 117.24 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.433 -0.792 . . . . 0.49 109.371 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.55 38.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.636 -0.665 . . . . 2.1 109.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.86 4.0 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.458 -1.057 . . . . 0.44 110.458 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.31 -48.94 11.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -1.046 . . . . 2.72 109.096 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.4 -37.87 73.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.885 . . . . 2.21 108.763 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.609 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.08 -43.9 87.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.336 -0.852 . . . . 2.79 109.097 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.17 -57.31 12.72 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.748 -0.595 . . . . 0.45 109.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.44 -39.88 58.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 1.68 109.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.48 -52.48 61.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.132 -0.98 . . . . 0.43 110.217 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.94 -46.19 90.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.095 -1.003 . . . . 0.28 109.093 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.72 -41.43 56.24 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.211 -0.931 . . . . 2.52 109.496 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.97 -54.03 50.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.237 -0.914 . . . . 1.75 109.779 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.93 -38.85 83.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.163 -0.961 . . . . 0.31 108.642 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.22 -55.59 32.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.562 -0.711 . . . . 1.21 109.443 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.61 -33.78 75.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.433 -0.792 . . . . 1.69 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.81 -51.58 69.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.313 -0.867 . . . . 0.27 109.592 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.79 -45.7 92.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.3 109.117 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.47 -36.0 73.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.365 -0.834 . . . . 1.93 109.193 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.89 75.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.397 -0.814 . . . . 0.4 109.162 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.393 -0.817 . . . . 1.59 108.837 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.67 -32.93 65.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.63 -0.668 . . . . 1.43 109.554 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.65 109.594 -179.782 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.344 0.592 . . . . 2.11 109.441 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.86 152.84 18.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.28 -0.888 . . . . 0.64 109.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.08 -166.78 1.75 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.589 -0.694 . . . . 0.49 109.156 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -151.96 145.58 24.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.205 -0.934 . . . . 0.47 108.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -140.4 137.58 34.12 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.442 -0.786 . . . . 0.42 109.857 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.11 133.5 33.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.814 -0.81 . . . . 1.81 108.814 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -123.42 117.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 121.492 -0.755 . . . . 0.42 109.396 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -75.18 151.57 38.49 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.396 0.617 . . . . 2.35 109.802 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.92 142.83 4.03 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.466 -1.053 . . . . 0.41 110.466 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -81.2 -49.06 11.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.465 -1.02 . . . . 2.59 109.087 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.38 -37.85 73.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.24 -0.913 . . . . 2.54 108.752 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.607 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.14 -43.83 87.53 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.394 -0.816 . . . . 3.39 109.076 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.2 -57.27 12.9 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.749 -0.594 . . . . 0.47 109.801 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -51.52 -39.84 58.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.66 109.942 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.56 -52.45 61.0 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.215 -0.928 . . . . 0.61 110.234 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.0 -46.05 90.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.067 -1.021 . . . . 0.33 109.117 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.79 -41.41 57.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.174 -0.953 . . . . 3.28 109.416 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.03 -53.96 51.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 1.78 109.777 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.07 -38.7 83.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.38 108.613 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.3 -55.61 32.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.51 -0.744 . . . . 1.2 109.447 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.51 -33.88 75.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 2.12 109.361 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.84 -51.54 69.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.26 109.504 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.89 -45.62 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.246 -0.909 . . . . 0.4 109.061 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.59 -35.92 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 2.09 109.174 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 21.3 tp -63.61 -48.9 75.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 0.75 109.228 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.439 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 14.9 ttmm -62.79 -44.4 96.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.35 -0.844 . . . . 2.19 108.812 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.77 -32.87 66.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.69 -0.631 . . . . 1.34 109.537 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.72 109.672 -179.87 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.365 0.602 . . . . 1.67 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -95.0 152.71 18.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.233 -0.917 . . . . 0.61 109.653 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -130.9 -166.73 1.73 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.701 . . . . 0.56 109.276 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.95 145.67 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.144 -0.973 . . . . 0.43 108.837 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.5 tp -140.47 137.47 33.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.395 -0.816 . . . . 0.35 109.855 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.05 133.51 33.89 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.932 -0.766 . . . . 1.37 108.932 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.36 117.18 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.485 -0.759 . . . . 0.48 109.419 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.6 38.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.666 -0.646 . . . . 2.08 109.842 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.79 3.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.536 -1.026 . . . . 0.4 110.536 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.21 -48.99 11.33 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -1.051 . . . . 2.64 109.124 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.34 -37.88 73.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -0.888 . . . . 2.22 108.751 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.609 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.24 -43.78 87.94 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.31 -0.869 . . . . 2.74 109.048 179.525 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.16 -57.36 12.53 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.347 0.594 . . . . 0.43 109.769 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.49 -39.83 58.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.301 -0.874 . . . . 1.69 109.97 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.47 -52.54 60.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.16 -0.962 . . . . 0.43 110.222 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.91 -46.21 90.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.022 -1.048 . . . . 0.27 109.095 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -50.71 -41.45 56.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.201 -0.937 . . . . 2.45 109.444 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.98 -54.04 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 1.75 109.73 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.99 -38.73 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.31 108.61 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.26 -55.66 32.01 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.527 -0.733 . . . . 1.22 109.393 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.439 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 45.0 tt0 -62.69 -33.65 75.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 1.73 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -51.55 69.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.349 -0.844 . . . . 0.28 109.593 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 50.5 mt -61.92 -45.65 92.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.31 109.061 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.47 -35.96 72.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.297 -0.877 . . . . 1.91 109.219 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.63 -48.85 75.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.41 -0.806 . . . . 0.43 109.222 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.413 -0.804 . . . . 1.57 108.839 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.68 -32.96 65.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.713 -0.617 . . . . 1.44 109.531 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.18 79.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.64 109.629 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 1.21 109.632 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.152 0.501 . . . . 1.7 109.654 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -98.26 153.32 18.58 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.207 -0.933 . . . . 0.61 109.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -141.2 139.0 33.75 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.705 -0.85 . . . . 0.58 108.705 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -98.98 161.58 13.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.438 -0.789 . . . . 0.42 109.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.09 132.76 17.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.063 -1.023 . . . . 0.36 110.157 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.67 127.16 34.42 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.722 -0.844 . . . . 1.37 108.722 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.65 109.29 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.474 -0.766 . . . . 0.47 109.391 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.53 152.2 39.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.397 -0.814 . . . . 2.1 109.518 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.8 130.2 4.9 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.954 -1.258 . . . . 0.42 109.954 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.491 ' NH1' ' OE2' ' A' ' 339' ' ' GLU . 1.3 tmt_? -73.7 -48.69 30.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.43 -1.041 . . . . 2.68 109.458 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 2.22 109.21 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.571 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -55.59 -42.57 74.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.364 -0.835 . . . . 2.77 109.922 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -54.53 -57.95 9.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.569 -0.707 . . . . 0.43 110.128 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.491 ' OE2' ' NH1' ' A' ' 335' ' ' ARG . 44.7 mt-10 -50.44 -41.37 52.57 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.283 -0.886 . . . . 1.66 110.093 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.22 48.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 0.44 110.737 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.01 -47.91 82.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.952 -1.093 . . . . 0.29 109.12 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.61 -43.33 62.49 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.215 -0.928 . . . . 2.44 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.66 -43.95 97.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.121 -0.987 . . . . 1.74 109.963 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.29 -43.94 98.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.3 109.443 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -58.78 -49.36 77.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.198 -0.939 . . . . 1.22 109.673 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.73 98.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.875 . . . . 1.72 110.1 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.82 -56.26 24.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.27 109.986 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.09 -42.18 98.03 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.29 109.531 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.51 -34.17 73.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.91 109.482 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.27 -50.26 68.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.41 109.395 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -63.0 -45.96 89.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.342 -0.849 . . . . 1.56 108.971 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -57.62 -38.11 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.631 -0.668 . . . . 1.43 109.755 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.65 71.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.66 109.922 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.37 -0.831 . . . . 1.18 109.8 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.23 0.538 . . . . 1.61 109.676 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -98.33 153.34 18.61 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.179 -0.951 . . . . 0.57 109.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -141.17 139.05 33.81 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.756 -0.831 . . . . 0.53 108.756 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -99.1 161.51 13.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.808 . . . . 0.38 109.046 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.7 tp -148.0 132.85 18.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.36 110.106 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.76 127.12 34.46 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.644 -0.873 . . . . 1.36 108.644 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.7 109.48 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.507 -0.746 . . . . 0.49 109.363 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.59 152.17 39.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.389 -0.819 . . . . 2.1 109.536 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.76 130.35 4.93 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.928 -1.269 . . . . 0.44 109.928 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' B' ' 339' ' ' GLU . 1.3 tmt_? -73.82 -48.66 29.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 2.72 109.418 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.29 -41.65 80.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 2.21 109.203 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -55.51 -42.7 74.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.477 -0.764 . . . . 2.79 109.832 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.51 -57.89 9.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.525 -0.734 . . . . 0.45 110.096 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' B' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.32 53.49 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.293 -0.879 . . . . 1.68 110.01 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.17 -53.26 47.65 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.163 -0.96 . . . . 0.43 110.7 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.97 -47.89 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.056 -1.028 . . . . 0.28 109.108 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.68 -43.27 62.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.271 -0.893 . . . . 2.52 109.5 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.79 -43.85 97.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 1.75 109.903 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.36 -43.8 98.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 0.31 109.483 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.96 -49.25 78.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.297 -0.877 . . . . 1.21 109.579 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.21 -40.88 98.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.283 -0.886 . . . . 1.69 110.049 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.75 -56.23 24.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.27 110.016 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.13 -42.21 98.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.286 -0.884 . . . . 0.3 109.48 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.43 -34.24 73.68 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.23 -0.919 . . . . 1.93 109.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.26 -50.22 68.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.907 . . . . 0.4 109.408 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.0 -45.94 90.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.289 -0.882 . . . . 1.59 108.987 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -57.6 -38.11 74.35 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.524 -0.735 . . . . 1.43 109.751 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.65 109.9 -179.616 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.176 0.512 . . . . 2.11 109.634 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.28 153.24 18.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.176 -0.953 . . . . 0.64 109.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -141.14 139.15 33.88 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.725 -0.843 . . . . 0.49 108.725 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -99.03 161.66 13.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.46 -0.775 . . . . 0.47 108.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.08 132.82 17.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.114 -0.991 . . . . 0.42 110.113 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.66 127.11 34.4 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.732 -0.84 . . . . 1.81 108.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.64 109.42 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.456 -0.778 . . . . 0.42 109.352 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 2.35 109.531 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.71 130.32 4.91 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.951 -1.26 . . . . 0.41 109.951 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' C' ' 339' ' ' GLU . 1.3 tmt_? -73.85 -48.67 29.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -1.092 . . . . 2.59 109.434 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.28 -41.54 79.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 2.54 109.202 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.577 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -55.68 -42.59 75.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.389 -0.82 . . . . 3.39 109.897 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -54.54 -57.85 9.76 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.469 -0.769 . . . . 0.47 110.162 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' C' ' 335' ' ' ARG . 44.7 mt-10 -50.49 -41.41 53.23 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.292 -0.88 . . . . 1.66 110.043 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.3 47.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.174 -0.954 . . . . 0.61 110.677 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.91 -47.92 82.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.98 -1.075 . . . . 0.33 109.098 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.69 -43.23 62.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.885 . . . . 3.28 109.572 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.8 -43.78 97.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 1.78 109.959 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.42 -43.8 98.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.38 109.486 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.87 -49.35 78.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.265 -0.897 . . . . 1.2 109.585 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.22 -40.77 98.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.885 . . . . 2.12 110.048 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.89 -56.14 25.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.298 -0.876 . . . . 0.26 110.029 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.408 HD13 ' HE ' ' A' ' 337' ' ' ARG . 29.3 mt -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.4 109.524 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.6 -34.1 73.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.171 -0.955 . . . . 2.09 109.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.3 -50.32 68.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.75 109.351 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.92 -46.02 89.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.33 -0.856 . . . . 2.19 109.025 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -57.54 -38.03 74.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.588 -0.695 . . . . 1.34 109.838 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.72 109.866 -179.63 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.179 0.514 . . . . 1.67 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -98.28 153.26 18.64 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.236 -0.915 . . . . 0.61 109.95 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.1 139.17 33.95 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.666 -0.864 . . . . 0.56 108.666 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -99.09 161.59 13.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.387 -0.821 . . . . 0.43 108.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -148.04 132.84 17.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.35 110.159 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.75 127.15 34.46 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.672 -0.862 . . . . 1.37 108.672 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.55 109.43 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.432 -0.792 . . . . 0.48 109.367 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -74.6 152.12 39.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.8 . . . . 2.08 109.539 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.85 130.3 4.95 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.889 -1.284 . . . . 0.4 109.889 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' D' ' 339' ' ' GLU . 1.3 tmt_? -73.89 -48.66 29.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -1.066 . . . . 2.64 109.424 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.127 -0.983 . . . . 2.22 109.212 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -55.58 -42.62 75.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.497 -0.752 . . . . 2.74 109.916 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -54.49 -57.91 9.53 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.543 -0.723 . . . . 0.43 110.113 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' D' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.36 53.55 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.36 -0.837 . . . . 1.69 110.005 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.11 -53.16 49.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.069 -1.019 . . . . 0.43 110.783 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.09 -47.77 83.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.051 -1.031 . . . . 0.27 109.069 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.76 -43.31 62.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.363 -0.835 . . . . 2.45 109.511 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.62 -44.03 96.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 1.75 109.973 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.177 -0.952 . . . . 0.31 109.511 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.85 -49.42 77.8 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.22 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.72 98.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.873 . . . . 1.73 110.118 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.91 -56.18 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.236 -0.915 . . . . 0.28 109.962 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.31 109.49 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.33 -34.3 73.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 1.91 109.498 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.19 -50.27 68.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 0.43 109.389 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.02 -45.91 90.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.374 -0.829 . . . . 1.57 109.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -57.62 -38.0 74.23 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.636 -0.665 . . . . 1.44 109.852 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.58 71.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.64 109.86 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.21 109.806 -179.657 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.252 0.549 . . . . 1.7 109.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -97.12 158.75 15.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.332 -0.855 . . . . 0.61 109.574 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.07 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.384 -0.823 . . . . 0.58 109.112 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.68 150.07 29.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.14 -0.975 . . . . 0.42 109.371 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -142.18 133.47 26.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.36 109.634 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.15 131.83 34.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.409 -0.807 . . . . 1.37 108.974 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.54 114.48 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.477 -0.764 . . . . 0.47 109.098 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.599 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.88 150.53 39.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.056 -0.72 . . . . 2.1 109.056 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 88.55 126.74 2.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.28 -1.128 . . . . 0.42 110.28 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.523 ' CG ' HH11 ' A' ' 335' ' ' ARG . 1.2 ttt-85 -71.89 -52.21 18.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 2.68 109.132 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.47 -37.07 72.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 2.22 109.366 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.27 -41.21 97.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.311 -0.868 . . . . 2.77 109.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.25 -50.64 70.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.43 109.673 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -52.12 -40.04 60.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 1.66 109.985 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.39 -52.49 64.39 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.205 -0.935 . . . . 0.44 110.191 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.63 -44.69 96.06 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.29 108.931 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.6 -40.32 59.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.258 -0.901 . . . . 2.44 109.299 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.14 -53.46 57.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.74 109.656 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.75 -38.05 80.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.93 . . . . 0.3 108.542 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.09 -54.59 45.28 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.427 -0.796 . . . . 1.22 109.298 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.417 -0.802 . . . . 1.72 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -55.01 38.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.27 109.621 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.9 -44.19 97.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.298 -0.876 . . . . 0.29 109.421 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.58 -36.04 77.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.91 109.481 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.92 -48.44 76.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.41 109.529 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.83 -43.53 98.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 1.56 109.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.8 -35.16 68.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.56 -0.713 . . . . 1.43 109.529 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.93 80.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.66 109.932 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.4 HE22 HD11 ' B' ' 350' ' ' LEU . 33.8 mt-30 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.185 -0.947 . . . . 1.18 109.731 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.263 0.554 . . . . 1.61 109.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -97.15 158.62 15.35 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.326 -0.858 . . . . 0.57 109.617 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.99 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.344 -0.847 . . . . 0.53 109.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -151.64 150.08 29.86 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.015 -1.053 . . . . 0.38 109.359 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -142.17 133.53 26.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.394 -0.816 . . . . 0.36 109.594 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.24 131.78 34.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.459 -0.775 . . . . 1.36 108.983 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.44 114.48 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.467 -0.771 . . . . 0.49 109.131 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.54 39.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.499 -0.751 . . . . 2.1 109.13 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 88.54 126.85 2.71 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.232 -1.147 . . . . 0.44 110.232 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.517 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.2 ttt-85 -72.08 -52.12 18.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.463 -1.022 . . . . 2.72 109.173 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.41 -37.15 72.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 2.21 109.402 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.27 -41.19 97.03 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.334 -0.854 . . . . 2.79 109.179 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.26 -50.54 71.07 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.506 -0.746 . . . . 0.45 109.772 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.404 -0.81 . . . . 1.68 110.017 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.44 -52.55 64.08 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 0.43 110.084 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.62 -44.76 95.96 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.116 -0.99 . . . . 0.28 108.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.47 -40.54 59.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.285 -0.884 . . . . 2.52 109.25 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -60.04 -53.47 57.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.75 109.676 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.77 -37.93 80.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.31 108.651 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.23 -54.55 45.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.78 . . . . 1.21 109.288 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.463 -0.773 . . . . 1.69 109.486 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.64 -54.98 38.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.27 109.597 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.9 -44.38 97.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.336 -0.853 . . . . 0.3 109.419 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.42 -36.09 77.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.89 . . . . 1.93 109.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.4 HD11 HE22 ' A' ' 354' ' ' GLN . 50.0 tp -63.9 -48.42 76.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.923 . . . . 0.4 109.548 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.79 -43.56 98.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.844 . . . . 1.59 109.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.71 -35.3 68.36 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.508 -0.745 . . . . 1.43 109.562 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.65 109.903 -179.646 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.334 0.588 . . . . 2.11 109.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -97.14 158.77 15.28 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.204 -0.935 . . . . 0.64 109.521 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.08 -171.14 2.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.371 -0.831 . . . . 0.49 109.131 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.65 150.12 29.9 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.159 -0.963 . . . . 0.47 109.354 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -142.25 133.48 26.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.395 -0.816 . . . . 0.42 109.628 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.14 131.83 34.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.397 -0.814 . . . . 1.81 109.041 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.47 114.38 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.484 -0.76 . . . . 0.42 109.111 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.83 150.61 39.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.504 -0.747 . . . . 2.35 109.107 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 88.47 126.8 2.68 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.257 -1.137 . . . . 0.41 110.257 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.2 ttt-85 -71.98 -52.14 18.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -1.026 . . . . 2.59 109.23 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.45 -37.1 72.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 2.54 109.36 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.34 -41.1 96.95 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.296 -0.877 . . . . 3.39 109.144 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.41 -50.51 71.39 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.482 -0.761 . . . . 0.47 109.713 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.97 60.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 1.66 110.037 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.42 -52.43 64.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.272 -0.892 . . . . 0.61 110.142 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.086 -1.009 . . . . 0.33 108.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -51.47 -40.54 59.69 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.276 -0.89 . . . . 3.28 109.283 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.99 -53.51 57.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 1.78 109.642 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.8 -37.95 80.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.245 -0.91 . . . . 0.38 108.607 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.11 -54.58 45.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.435 -0.791 . . . . 1.2 109.386 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.54 -33.36 74.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.444 -0.785 . . . . 2.12 109.566 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.64 -54.9 39.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.878 . . . . 0.26 109.677 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.95 -44.38 97.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.4 109.413 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.35 -36.08 77.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 2.09 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.432 HD11 HE22 ' D' ' 354' ' ' GLN . 49.9 tp -63.95 -48.38 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.75 109.562 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.86 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.361 -0.837 . . . . 2.19 109.013 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.74 -35.17 68.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.522 -0.736 . . . . 1.34 109.557 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.72 109.936 -179.622 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.245 0.545 . . . . 1.67 109.944 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -97.13 158.81 15.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.312 -0.867 . . . . 0.61 109.564 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.18 -171.25 2.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.342 -0.849 . . . . 0.56 109.105 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.61 150.17 29.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.122 -0.986 . . . . 0.43 109.333 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -142.21 133.4 26.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.346 -0.846 . . . . 0.35 109.691 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -87.07 131.86 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.411 -0.806 . . . . 1.37 109.079 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.54 114.43 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.346 -0.846 . . . . 0.48 109.167 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.52 39.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.517 -0.739 . . . . 2.08 109.109 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 88.55 126.71 2.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.24 -1.144 . . . . 0.4 110.24 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.528 HH11 ' CG ' ' D' ' 335' ' ' ARG . 1.2 ttt-85 -71.95 -52.12 18.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.438 -1.036 . . . . 2.64 109.183 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.48 -37.08 72.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.375 -0.828 . . . . 2.22 109.37 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.35 -41.14 96.9 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.339 -0.851 . . . . 2.74 109.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.33 -50.45 71.43 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.541 -0.724 . . . . 0.43 109.705 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.29 -40.0 61.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 1.69 109.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.29 -52.56 64.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.204 -0.935 . . . . 0.43 110.17 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.67 -44.71 96.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.081 -1.012 . . . . 0.27 108.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.48 -40.52 59.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.277 -0.89 . . . . 2.45 109.299 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.97 -53.58 56.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.75 109.667 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.72 -38.03 80.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 0.31 108.543 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.06 -54.61 45.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 1.22 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -62.55 -33.52 75.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.382 -0.824 . . . . 1.73 109.458 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.59 -54.95 39.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.315 -0.866 . . . . 0.28 109.608 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.0 -44.15 97.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 0.31 109.472 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.59 -36.08 77.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.23 -0.919 . . . . 1.91 109.45 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.84 -48.35 77.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.328 -0.858 . . . . 0.43 109.597 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.86 -43.61 98.33 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -0.844 . . . . 1.57 109.069 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.72 -35.22 68.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.557 -0.714 . . . . 1.44 109.612 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.11 81.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -0.88 . . . . 0.64 109.939 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.432 HE22 HD11 ' C' ' 350' ' ' LEU . 33.8 mt-30 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.207 -0.933 . . . . 1.21 109.744 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.262 0.553 . . . . 1.7 109.632 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.81 154.95 17.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.326 -0.859 . . . . 0.61 109.244 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -136.95 -172.33 3.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.323 -0.861 . . . . 0.58 109.445 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -150.43 152.17 33.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.303 -0.999 . . . . 0.42 108.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.0 133.88 22.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.36 109.783 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.13 129.17 34.85 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.612 -0.884 . . . . 1.37 108.612 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -123.59 110.61 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.472 -0.767 . . . . 0.47 109.278 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.12 147.68 40.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.67 -0.644 . . . . 2.1 109.702 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.38 2.44 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.972 -1.251 . . . . 0.42 109.972 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.463 ' HG3' HH11 ' A' ' 335' ' ' ARG . 9.7 ttm-85 -71.22 -43.08 68.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -1.106 . . . . 2.68 109.258 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.347 -0.846 . . . . 2.22 109.63 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.59 -39.79 95.29 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.2 -0.938 . . . . 2.77 109.56 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -54.44 -54.4 41.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.393 -0.817 . . . . 0.43 109.769 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.91 -40.62 61.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 1.66 109.687 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.28 -52.96 59.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.346 -0.846 . . . . 0.44 110.36 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.29 109.15 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.94 -35.78 47.04 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.324 -0.86 . . . . 2.44 109.448 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.54 -48.74 79.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.086 -1.009 . . . . 1.74 109.658 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.3 -37.4 80.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.3 108.664 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.12 -57.35 13.22 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 1.22 109.506 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -63.16 -35.48 80.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.409 -0.807 . . . . 1.72 109.568 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.08 -54.35 48.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.27 109.966 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.12 -44.28 97.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.134 -0.979 . . . . 0.29 109.388 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.55 -35.86 75.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.216 -0.928 . . . . 1.91 109.347 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.02 -48.82 74.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 0.41 109.344 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.51 -48.01 79.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.359 -0.838 . . . . 1.56 108.985 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.95 -32.07 69.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.669 -0.644 . . . . 1.43 109.571 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.26 77.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.66 109.979 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 1.18 109.681 -179.716 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.3 0.571 . . . . 1.61 109.583 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -93.77 154.93 17.5 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.282 -0.886 . . . . 0.57 109.267 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -136.88 -172.27 3.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.53 109.397 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.0 p -150.37 152.38 34.3 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.247 -1.02 . . . . 0.38 108.247 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.12 133.67 22.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 0.36 109.82 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.96 129.17 34.84 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.592 -0.892 . . . . 1.36 108.592 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.9 mt -123.67 110.64 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.507 -0.746 . . . . 0.49 109.248 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.9 ttt-85 -75.13 147.61 40.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.618 -0.676 . . . . 2.1 109.695 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.24 124.45 2.46 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.992 -1.243 . . . . 0.44 109.992 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' B' ' 335' ' ' ARG . 9.6 ttm-85 -71.36 -42.94 67.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -1.14 . . . . 2.72 109.276 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.77 -45.78 89.0 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.331 -0.856 . . . . 2.21 109.566 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.55 -39.88 95.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.233 -0.917 . . . . 2.79 109.525 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.4 -54.43 40.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.485 -0.76 . . . . 0.45 109.75 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.89 -40.65 61.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.68 109.734 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.27 -52.92 60.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.267 -0.896 . . . . 0.43 110.356 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.51 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.168 -0.957 . . . . 0.28 109.135 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.93 -35.78 46.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 2.52 109.448 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.59 -48.84 79.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.75 109.609 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.25 -37.33 80.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.275 -0.891 . . . . 0.31 108.697 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.17 -57.34 13.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.506 -0.746 . . . . 1.21 109.478 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.22 -35.45 80.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.47 -0.769 . . . . 1.69 109.565 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.04 -54.43 47.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.375 -0.828 . . . . 0.27 109.984 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.07 -44.23 97.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.3 109.515 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.63 -35.75 74.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.233 -0.917 . . . . 1.93 109.328 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.15 -48.88 74.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.271 -0.893 . . . . 0.4 109.288 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.41 -47.91 80.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 1.59 108.983 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.99 -32.04 69.33 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.592 -0.693 . . . . 1.43 109.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.858 . . . . 0.65 109.939 -179.504 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.283 0.563 . . . . 2.11 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -93.83 154.86 17.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.22 -0.925 . . . . 0.64 109.313 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -136.89 -172.32 3.15 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.49 109.392 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -150.48 152.19 33.85 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.294 -1.002 . . . . 0.47 108.294 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.3 tp -144.99 133.75 22.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.42 109.813 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.99 129.2 34.84 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.62 -0.881 . . . . 1.81 108.62 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.73 110.61 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-O 121.676 0.75 . . . . 0.42 109.231 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -75.12 147.71 40.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.548 -0.72 . . . . 2.35 109.745 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 124.38 2.42 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.982 -1.247 . . . . 0.41 109.982 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.456 HH11 ' HG3' ' C' ' 335' ' ' ARG . 9.6 ttm-85 -71.27 -42.89 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -1.143 . . . . 2.59 109.339 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.78 -45.8 88.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.367 -0.833 . . . . 2.54 109.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -63.61 -39.81 95.3 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.237 -0.915 . . . . 3.39 109.47 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.46 -54.42 41.14 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.462 -0.774 . . . . 0.47 109.742 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.89 -40.66 61.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 1.66 109.723 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.26 -52.95 60.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.302 -0.874 . . . . 0.61 110.352 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.13 -53.78 52.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.005 . . . . 0.33 109.117 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -52.05 -35.74 48.24 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.281 -0.887 . . . . 3.28 109.391 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.61 -48.73 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.78 109.646 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.36 -37.27 80.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.38 108.666 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.19 -57.32 13.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.556 -0.715 . . . . 1.2 109.489 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -63.17 -35.48 80.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 2.12 109.568 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -54.45 46.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.26 109.952 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.03 -44.29 97.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.195 -0.94 . . . . 0.4 109.494 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.53 -35.83 74.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.09 109.326 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.1 -48.9 74.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.75 109.321 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.93 79.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.348 -0.845 . . . . 2.19 108.975 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.95 -32.05 69.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.678 -0.639 . . . . 1.34 109.631 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.316 -0.865 . . . . 0.72 109.997 -179.52 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.206 0.527 . . . . 1.67 109.644 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.81 155.01 17.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.311 -0.868 . . . . 0.61 109.269 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -137.03 -172.3 3.15 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.275 -0.89 . . . . 0.56 109.415 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 36.9 p -150.44 152.23 33.98 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.274 -1.01 . . . . 0.43 108.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.08 133.76 22.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.115 -0.991 . . . . 0.35 109.783 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.06 129.2 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 1.37 108.611 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.65 110.68 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.488 -0.757 . . . . 0.48 109.263 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.22 147.73 40.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.628 -0.67 . . . . 2.08 109.686 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.25 124.38 2.45 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.885 -1.286 . . . . 0.4 109.885 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' D' ' 335' ' ' ARG . 9.7 ttm-85 -71.23 -42.94 68.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -1.196 . . . . 2.64 109.332 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.76 -45.66 89.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 2.22 109.619 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.7 -39.81 95.22 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.235 -0.916 . . . . 2.74 109.525 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.41 -54.37 41.65 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.447 -0.783 . . . . 0.43 109.779 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.97 -40.59 61.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.246 -0.909 . . . . 1.69 109.715 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -63.4 -52.81 60.05 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.345 -0.847 . . . . 0.43 110.306 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.24 -53.75 52.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.117 -0.989 . . . . 0.27 109.169 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.96 -35.8 47.31 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.278 -0.889 . . . . 2.45 109.42 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -61.56 -48.73 79.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.156 -0.965 . . . . 1.75 109.649 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.32 -37.27 80.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.31 108.724 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.13 -57.41 12.98 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 1.22 109.432 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.21 -35.47 80.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.375 -0.828 . . . . 1.73 109.539 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.06 -54.39 47.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.859 . . . . 0.28 109.939 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.17 -44.06 97.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.235 -0.915 . . . . 0.31 109.538 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -35.9 75.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.91 109.313 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.06 -48.94 74.27 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.291 -0.88 . . . . 0.43 109.308 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.2 ttmp? -63.46 -47.97 79.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.362 -0.836 . . . . 1.57 108.959 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.88 -32.17 69.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.637 -0.664 . . . . 1.44 109.641 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.1 77.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.64 109.974 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.876 . . . . 1.21 109.573 -179.672 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.458 -0.571 . . . . 1.7 109.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -93.82 158.46 15.65 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.287 -0.883 . . . . 0.61 109.644 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.83 -169.22 2.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.463 -0.773 . . . . 0.58 109.286 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.86 149.93 29.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 0.42 108.86 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -143.24 134.35 25.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.867 . . . . 0.36 109.412 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.9 132.72 34.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.677 -0.861 . . . . 1.37 108.677 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.12 113.71 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.464 -0.772 . . . . 0.47 109.488 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -74.96 143.41 43.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 2.1 109.827 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.34 137.76 7.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.031 -1.227 . . . . 0.42 110.031 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.513 HH11 ' HG2' ' A' ' 335' ' ' ARG . 1.3 ttt-85 -82.67 -44.69 15.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.395 -1.062 . . . . 2.68 109.148 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.85 -43.01 85.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.343 -0.848 . . . . 2.22 109.379 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.34 -40.62 97.81 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.28 -0.887 . . . . 2.77 109.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.92 -54.6 42.8 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.481 -0.762 . . . . 0.43 109.767 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.94 -38.74 57.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.818 . . . . 1.66 109.855 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.56 -51.61 66.7 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.271 -0.893 . . . . 0.44 110.211 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.18 -43.82 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.29 109.013 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -51.98 -42.7 63.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.218 -0.926 . . . . 2.44 109.422 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.73 -53.32 59.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.887 . . . . 1.74 109.789 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.44 -35.59 76.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.121 -0.987 . . . . 0.3 108.694 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.06 -55.62 32.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.401 -0.812 . . . . 1.22 109.45 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.306 -0.871 . . . . 1.72 109.609 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.6 -52.69 64.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.27 110.021 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.129 -0.982 . . . . 0.29 109.364 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.37 -35.68 74.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.211 -0.931 . . . . 1.91 109.429 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -63.69 -51.28 65.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.372 -0.83 . . . . 0.41 109.139 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.8 -46.06 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.811 . . . . 1.56 109.181 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.68 -33.84 68.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.603 -0.686 . . . . 1.43 109.706 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.97 84.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.87 . . . . 0.66 109.782 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 1.18 109.667 -179.754 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.298 0.57 . . . . 1.61 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.84 158.28 15.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.223 -0.923 . . . . 0.57 109.791 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.65 -169.14 2.4 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.53 109.318 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.85 150.05 29.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.38 108.793 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -143.25 134.38 25.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.267 -0.896 . . . . 0.36 109.414 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.89 132.74 34.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.684 -0.858 . . . . 1.36 108.684 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.2 113.7 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.493 -0.754 . . . . 0.49 109.383 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.12 143.39 43.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 2.1 109.789 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.38 137.85 7.1 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.048 -1.221 . . . . 0.44 110.048 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' B' ' 335' ' ' ARG . 1.4 ttt-85 -82.67 -44.74 15.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -1.035 . . . . 2.72 109.2 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.87 -43.13 85.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 2.21 109.28 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.19 -40.63 98.06 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.293 -0.879 . . . . 2.79 109.409 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -55.93 -54.59 42.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.445 -0.784 . . . . 0.45 109.762 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.95 -38.7 57.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 1.68 109.806 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.57 -51.7 66.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.185 -0.947 . . . . 0.43 110.093 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.17 -43.8 98.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.106 -0.996 . . . . 0.28 109.053 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.95 -42.69 63.07 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.259 -0.901 . . . . 2.52 109.442 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.72 -53.31 59.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.75 109.793 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.48 -35.49 76.02 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.166 -0.959 . . . . 0.31 108.749 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.17 -55.59 33.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.425 -0.797 . . . . 1.21 109.411 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.8 -33.01 74.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.36 -0.838 . . . . 1.69 109.624 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.6 -52.73 64.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 0.27 110.008 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.38 -44.74 96.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 0.3 109.395 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -59.31 -35.75 74.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.93 109.415 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -63.63 -51.38 65.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.4 109.181 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.68 -46.11 91.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.442 -0.786 . . . . 1.59 109.137 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.67 -33.81 68.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.678 -0.639 . . . . 1.43 109.695 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.9 . . . . 0.65 109.788 -179.618 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.507 -0.553 . . . . 2.11 109.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -93.75 158.36 15.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.325 -0.86 . . . . 0.64 109.723 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -136.74 -169.16 2.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.49 109.311 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.91 150.05 29.62 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -0.903 . . . . 0.47 108.761 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -143.3 134.38 25.67 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.291 -0.881 . . . . 0.42 109.384 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 132.77 34.0 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.604 -0.888 . . . . 1.81 108.604 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.13 113.65 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.493 -0.755 . . . . 0.42 109.489 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.07 143.42 43.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 2.35 109.75 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.86 7.04 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.037 -1.225 . . . . 0.41 110.037 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' C' ' 335' ' ' ARG . 1.4 ttt-85 -82.73 -44.75 15.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.406 -1.055 . . . . 2.59 109.168 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.76 -43.15 85.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.54 109.338 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.31 -40.65 97.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.229 -0.92 . . . . 3.39 109.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.81 -54.63 42.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.46 -0.775 . . . . 0.47 109.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.97 -38.58 57.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.295 -0.878 . . . . 1.66 109.866 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttp -62.67 -51.61 66.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.279 -0.888 . . . . 0.61 110.154 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -43.72 98.43 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.15 -0.969 . . . . 0.33 109.028 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.07 -42.66 63.34 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.228 -0.92 . . . . 3.28 109.439 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.77 -53.26 60.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 1.78 109.744 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.44 -35.6 76.22 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.38 108.722 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.08 -55.63 32.64 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.409 -0.807 . . . . 1.2 109.387 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 2.12 109.621 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -52.74 64.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.26 109.975 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.8 mt -61.49 -44.7 96.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.4 109.334 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.29 -35.81 74.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 2.09 109.348 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.9 tt -63.65 -51.31 65.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.75 109.134 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.83 -46.02 91.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.31 -0.869 . . . . 2.19 109.139 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.71 -33.78 68.78 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.603 -0.686 . . . . 1.34 109.742 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.72 109.78 -179.695 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.474 -0.565 . . . . 1.67 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -93.63 158.41 15.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.283 -0.886 . . . . 0.61 109.803 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -136.79 -169.14 2.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.393 -0.817 . . . . 0.56 109.336 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.99 149.86 29.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.259 -0.901 . . . . 0.43 108.748 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -143.13 134.43 26.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.874 . . . . 0.35 109.479 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -86.04 132.75 33.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.668 -0.864 . . . . 1.37 108.668 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.12 113.68 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.474 -0.766 . . . . 0.48 109.452 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.01 143.38 43.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 2.08 109.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.35 137.77 7.04 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.026 -1.23 . . . . 0.4 110.026 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.524 HH11 ' HG2' ' D' ' 335' ' ' ARG . 1.4 ttt-85 -82.56 -44.83 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.447 -1.031 . . . . 2.64 109.153 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.82 -43.04 85.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -0.849 . . . . 2.22 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.37 -40.59 97.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.301 -0.874 . . . . 2.74 109.336 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -55.93 -54.61 42.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.747 . . . . 0.43 109.835 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.81 -38.77 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.69 109.903 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.55 -51.69 66.39 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 0.43 110.141 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.15 -43.81 98.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.1 -1.0 . . . . 0.27 108.96 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.0 -42.6 63.12 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.28 -0.888 . . . . 2.45 109.538 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.83 -53.24 60.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 1.75 109.804 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.48 -35.55 76.18 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.243 -0.911 . . . . 0.31 108.735 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.02 -55.68 32.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.386 -0.821 . . . . 1.22 109.453 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.79 -33.0 74.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 1.73 109.681 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -52.6 64.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.367 -0.833 . . . . 0.28 110.001 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.31 109.347 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.31 -35.73 74.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -0.887 . . . . 1.91 109.381 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.502 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.9 tt -63.68 -51.41 65.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.407 -0.808 . . . . 0.43 109.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.74 -46.01 91.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.346 -0.846 . . . . 1.57 109.179 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.61 -33.98 68.79 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.66 -0.65 . . . . 1.44 109.75 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.0 85.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.64 109.783 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.149 -0.969 . . . . 1.21 109.707 -179.746 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.262 0.553 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.13 147.99 22.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.222 -0.924 . . . . 0.61 109.351 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -136.05 -172.95 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.349 -0.844 . . . . 0.58 109.513 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.6 p -150.29 148.47 28.9 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.42 108.759 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.74 136.08 33.79 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.319 -0.863 . . . . 0.36 109.761 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.75 127.65 34.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.654 -0.869 . . . . 1.37 108.654 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.86 111.48 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.478 -0.764 . . . . 0.47 109.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -73.84 151.95 40.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.727 . . . . 2.1 109.618 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.93 127.06 1.93 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.761 -1.336 . . . . 0.42 109.761 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.57 -36.45 44.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.278 -1.13 . . . . 2.68 109.24 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.18 -50.64 72.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 2.22 109.483 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.472 ' HG3' HH11 ' A' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.3 87.15 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.215 -0.928 . . . . 2.77 109.75 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -50.99 -53.46 33.0 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.296 -0.878 . . . . 0.43 109.172 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -55.47 -37.13 67.38 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.403 -0.81 . . . . 1.66 109.246 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.39 -52.92 59.62 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 0.44 110.411 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.108 -0.995 . . . . 0.29 109.286 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.27 -42.52 61.15 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.14 -0.975 . . . . 2.44 109.56 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.7 -44.74 93.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.276 -0.89 . . . . 1.74 110.133 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.49 -42.6 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.049 -1.032 . . . . 0.3 109.394 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.59 -49.04 78.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.907 . . . . 1.22 109.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.16 -40.81 98.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.72 110.278 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.9 -59.01 5.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.27 110.154 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.8 -40.16 91.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.278 -0.889 . . . . 0.29 109.475 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -61.01 -36.84 80.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 1.91 108.959 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.01 -47.82 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.41 108.981 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.24 66.29 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.868 0.842 . . . . 1.56 109.058 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.71 -32.69 63.54 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.807 -0.558 . . . . 1.43 109.823 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.94 79.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.153 -0.967 . . . . 0.66 109.599 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 1.18 109.669 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.247 0.546 . . . . 1.61 109.572 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -94.03 147.91 22.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.287 -0.883 . . . . 0.57 109.484 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -136.0 -172.94 3.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.249 -0.907 . . . . 0.53 109.478 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -150.34 148.37 28.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.301 -0.875 . . . . 0.38 108.769 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.69 136.02 33.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.343 -0.848 . . . . 0.36 109.74 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.67 127.62 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.684 -0.858 . . . . 1.36 108.684 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.79 111.41 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.457 -0.777 . . . . 0.49 109.227 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -73.8 151.92 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.478 -0.764 . . . . 2.1 109.65 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.96 127.22 1.96 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.772 -1.331 . . . . 0.44 109.772 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.79 -36.46 42.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -1.161 . . . . 2.72 109.178 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.12 -50.71 72.63 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.261 -0.899 . . . . 2.21 109.449 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' B' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.283 -0.886 . . . . 2.79 109.779 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -51.13 -53.3 35.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.373 -0.83 . . . . 0.45 109.198 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.51 -37.18 67.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.331 -0.856 . . . . 1.68 109.173 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.36 -52.85 60.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.547 -0.721 . . . . 0.43 110.427 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.89 -45.89 91.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.088 -1.008 . . . . 0.28 109.21 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.21 -42.57 61.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.268 -0.895 . . . . 2.52 109.613 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.55 -44.8 93.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 1.75 110.23 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.54 -42.56 96.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.31 109.446 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -58.47 -49.18 78.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.21 109.649 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.99 -40.92 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.864 . . . . 1.69 110.314 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.89 -58.96 6.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.27 110.133 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.86 -40.17 91.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.315 -0.866 . . . . 0.3 109.434 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.93 -36.86 80.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.064 -1.023 . . . . 1.93 109.05 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.03 -47.89 81.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.4 108.987 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.49 -51.3 66.18 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.861 0.839 . . . . 1.59 108.978 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -55.78 -32.61 63.62 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.762 -0.586 . . . . 1.43 109.748 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.65 109.563 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.252 0.549 . . . . 2.11 109.573 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -94.08 147.9 22.69 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.273 -0.892 . . . . 0.64 109.431 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -135.98 -172.91 3.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.358 -0.839 . . . . 0.49 109.541 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -150.31 148.48 28.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.235 -0.915 . . . . 0.47 108.773 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.1 tp -139.75 136.05 33.73 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.379 -0.826 . . . . 0.42 109.774 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.65 127.68 34.56 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.692 -0.855 . . . . 1.81 108.692 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 111.34 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.513 -0.742 . . . . 0.42 109.217 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -73.69 151.96 40.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.546 -0.721 . . . . 2.35 109.571 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.85 127.12 1.91 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.761 -1.336 . . . . 0.41 109.761 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.64 -36.5 43.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.246 -1.15 . . . . 2.59 109.239 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.18 -50.64 72.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.228 -0.92 . . . . 2.54 109.439 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.471 HH11 ' HG3' ' C' ' 337' ' ' ARG . 23.3 ttm-85 -64.87 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.243 -0.911 . . . . 3.39 109.747 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.43 33.2 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.47 109.228 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -55.46 -37.18 67.41 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.331 -0.856 . . . . 1.66 109.227 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.32 -52.9 60.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.402 -0.811 . . . . 0.61 110.448 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.87 -45.87 91.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.089 -1.007 . . . . 0.33 109.244 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.18 -42.59 60.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.169 -0.957 . . . . 3.28 109.632 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.59 -44.79 93.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.311 -0.868 . . . . 1.78 110.161 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.56 -42.6 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.955 . . . . 0.38 109.335 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.14 78.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.226 -0.921 . . . . 1.2 109.638 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.05 -40.78 98.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 2.12 110.374 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.87 -59.04 5.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 0.26 110.158 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.82 -40.12 91.59 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.328 -0.858 . . . . 0.4 109.476 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -60.93 -36.89 80.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.014 -1.054 . . . . 2.09 109.009 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.9 81.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.348 -0.845 . . . . 0.75 108.929 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.53 -51.24 66.33 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.784 0.802 . . . . 2.19 108.957 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -55.8 -32.62 63.67 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.84 -0.538 . . . . 1.34 109.831 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 0.72 109.58 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.234 0.54 . . . . 1.67 109.549 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.05 147.95 22.64 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.916 . . . . 0.61 109.468 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 -173.01 3.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.289 -0.882 . . . . 0.56 109.549 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -150.34 148.39 28.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.863 . . . . 0.43 108.782 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.68 136.21 34.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 0.35 109.671 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.78 127.64 34.6 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.615 -0.883 . . . . 1.37 108.615 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.2 mt -123.81 111.43 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.513 -0.742 . . . . 0.48 109.225 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -73.81 151.99 40.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 2.08 109.622 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 127.17 1.92 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.801 -1.32 . . . . 0.4 109.801 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.66 -36.54 43.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -1.136 . . . . 2.64 109.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.15 -50.63 72.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.247 -0.908 . . . . 2.22 109.468 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' D' ' 337' ' ' ARG . 23.1 ttm-85 -64.84 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.275 -0.89 . . . . 2.74 109.794 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.4 33.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.427 -0.796 . . . . 0.43 109.287 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.47 -37.1 67.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.297 -0.877 . . . . 1.69 109.296 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.37 -52.91 59.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.395 -0.816 . . . . 0.43 110.435 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.093 -1.004 . . . . 0.27 109.312 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.54 61.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.146 -0.971 . . . . 2.45 109.631 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.71 -44.7 93.6 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 1.75 110.142 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.55 -42.55 96.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.31 109.408 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.17 78.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.3 -0.875 . . . . 1.22 109.625 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.04 -40.86 98.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 1.73 110.345 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.78 -59.14 5.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 0.28 110.091 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.69 -40.21 91.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.31 109.511 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -61.02 -36.79 80.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.108 -0.995 . . . . 1.91 109.029 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.83 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.43 108.981 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.35 65.83 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.86 0.838 . . . . 1.57 108.973 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.69 -32.63 63.45 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.774 -0.579 . . . . 1.44 109.843 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.98 79.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.64 109.547 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.898 . . . . 1.21 109.639 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.315 0.579 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.09 157.78 16.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.28 -0.887 . . . . 0.61 109.39 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.05 -171.67 3.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.381 -0.825 . . . . 0.58 109.241 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -152.01 147.16 26.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.186 -0.946 . . . . 0.42 108.783 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.59 132.77 26.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.36 109.65 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.0 130.76 34.57 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.591 -0.892 . . . . 1.37 108.591 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.51 116.73 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.546 -0.721 . . . . 0.47 109.51 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.34 149.82 40.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.679 -0.638 . . . . 2.1 109.645 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.4 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.136 -1.185 . . . . 0.42 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -84.27 -45.66 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -1.125 . . . . 2.68 109.327 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.9 -42.16 84.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 2.22 109.078 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.59 -43.81 97.88 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.227 -0.921 . . . . 2.77 108.974 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.66 -53.7 53.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.635 -0.665 . . . . 0.43 109.692 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.89 -39.66 59.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.384 -0.823 . . . . 1.66 110.062 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.63 -49.81 73.71 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.222 -0.924 . . . . 0.44 110.252 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.0 -41.49 96.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 0.29 109.112 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.09 -44.04 64.19 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.24 -0.912 . . . . 2.44 109.651 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.21 -53.59 55.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 1.74 109.937 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.87 -37.74 80.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.124 -0.985 . . . . 0.3 108.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.416 ' O ' ' OE1' ' A' ' 349' ' ' GLU . 22.7 t-20 -59.76 -56.91 15.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.364 -0.835 . . . . 1.22 109.568 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.86 71.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 1.72 110.125 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -46.37 86.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.27 109.856 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.93 -51.01 68.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.29 109.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 349' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 345' ' ' ASN . 2.8 mp0 -57.06 -34.13 67.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 1.91 109.558 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.21 -46.77 85.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.125 -0.984 . . . . 0.41 108.945 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.61 -52.3 61.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.375 -0.828 . . . . 1.56 108.944 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.05 -30.94 66.56 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.638 -0.664 . . . . 1.43 109.61 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.14 84.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.197 -0.939 . . . . 0.66 110.008 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.165 -0.959 . . . . 1.18 109.852 -179.701 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.275 0.56 . . . . 1.61 109.574 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.13 157.74 16.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.57 109.386 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.55 2.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -0.801 . . . . 0.53 109.212 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.1 147.51 26.55 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.287 -0.883 . . . . 0.38 108.742 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.93 132.68 25.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 0.36 109.642 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -85.09 130.81 34.55 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.493 -0.928 . . . . 1.36 108.493 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.4 mt -123.62 116.65 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.459 -0.776 . . . . 0.49 109.456 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.25 149.8 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.596 -0.69 . . . . 2.1 109.711 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.39 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.124 -1.19 . . . . 0.44 110.124 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -84.25 -45.63 12.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -1.086 . . . . 2.72 109.35 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.04 -41.99 84.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 2.21 109.031 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.67 -43.86 97.74 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.33 -0.856 . . . . 2.79 108.939 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.66 -53.73 52.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.61 -0.681 . . . . 0.45 109.652 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.76 59.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 1.68 110.038 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.5 ttp -62.61 -49.78 73.85 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.43 110.216 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -41.53 96.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.133 -0.979 . . . . 0.28 109.134 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.18 -43.89 64.37 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.19 -0.944 . . . . 2.52 109.718 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.21 -53.66 55.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 1.75 109.903 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.19 -0.943 . . . . 0.31 108.82 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' B' ' 349' ' ' GLU . 22.6 t-20 -59.82 -56.87 16.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.43 -0.794 . . . . 1.21 109.522 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.42 -31.84 71.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.307 -0.871 . . . . 1.69 110.031 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -46.37 87.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.27 109.915 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.91 -51.17 67.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.3 109.817 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 349' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 345' ' ' ASN . 2.8 mp0 -56.81 -34.22 67.48 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.079 -1.013 . . . . 1.93 109.586 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.29 -46.7 85.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.021 -1.049 . . . . 0.4 108.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.69 -52.16 61.87 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.426 -0.796 . . . . 1.59 108.991 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.04 -31.04 66.64 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.71 -0.619 . . . . 1.43 109.604 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.65 110.002 -179.516 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.296 0.57 . . . . 2.11 109.567 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.06 157.7 16.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -0.889 . . . . 0.64 109.414 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.04 -171.69 3.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.448 -0.782 . . . . 0.49 109.233 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.95 147.36 26.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.306 -0.871 . . . . 0.47 108.738 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.77 132.69 25.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.338 -0.852 . . . . 0.42 109.657 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -84.93 130.79 34.58 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.566 -0.901 . . . . 1.81 108.566 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.5 mt -123.59 116.7 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.461 -0.774 . . . . 0.42 109.451 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.3 149.89 40.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.577 -0.702 . . . . 2.35 109.691 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 138.36 2.87 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.184 -1.166 . . . . 0.41 110.184 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -84.27 -45.63 12.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.421 -1.047 . . . . 2.59 109.36 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.99 -42.17 84.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 2.54 109.034 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.62 -43.8 97.9 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.37 -0.831 . . . . 3.39 108.899 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.63 -53.72 52.97 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.627 -0.671 . . . . 0.47 109.668 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.77 59.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.313 -0.867 . . . . 1.66 110.02 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.64 -49.78 73.83 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.164 -0.96 . . . . 0.61 110.233 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.04 -41.49 96.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.069 -1.019 . . . . 0.33 109.081 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.1 -44.02 64.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 3.28 109.685 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.05 -53.72 54.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 1.78 109.918 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.83 -37.77 80.15 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.16 -0.962 . . . . 0.38 108.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' C' ' 349' ' ' GLU . 22.7 t-20 -59.77 -56.88 16.36 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.392 -0.818 . . . . 1.2 109.54 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.81 71.74 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 2.12 110.078 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -46.43 86.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.26 109.889 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.85 -51.24 67.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.4 109.824 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' C' ' 345' ' ' ASN . 2.8 mp0 -56.84 -34.17 67.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 2.09 109.537 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.33 -46.73 85.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.066 -1.021 . . . . 0.75 108.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.55 -52.28 61.8 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.438 -0.788 . . . . 2.19 109.018 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.91 -31.06 66.41 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.693 -0.629 . . . . 1.34 109.633 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.219 -0.926 . . . . 0.72 109.988 -179.412 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.218 0.533 . . . . 1.67 109.608 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.01 157.69 16.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.61 109.383 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.6 2.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.56 109.244 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -152.02 147.51 26.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.271 -0.893 . . . . 0.43 108.799 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.9 tp -141.88 132.76 25.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.326 -0.859 . . . . 0.35 109.651 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.12 130.78 34.55 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.493 -0.928 . . . . 1.37 108.493 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.64 116.7 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.472 -0.768 . . . . 0.48 109.448 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.33 149.79 40.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.66 -0.65 . . . . 2.08 109.714 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 138.47 2.92 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.147 -1.181 . . . . 0.4 110.147 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -84.19 -45.74 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -1.097 . . . . 2.64 109.351 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.87 -42.17 83.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.22 109.054 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.63 -43.84 97.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 2.74 108.882 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.72 -53.7 53.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.645 -0.659 . . . . 0.43 109.605 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.84 -39.78 59.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.86 . . . . 1.69 110.02 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.242 -0.911 . . . . 0.43 110.167 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.0 -41.43 96.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.971 . . . . 0.27 109.124 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.14 -43.99 64.32 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.285 -0.884 . . . . 2.45 109.69 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.11 -53.71 54.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.192 -0.943 . . . . 1.75 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.87 -37.79 80.34 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.31 108.825 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' D' ' 349' ' ' GLU . 22.7 t-20 -59.78 -56.94 15.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.431 -0.793 . . . . 1.22 109.489 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.3 -31.93 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.73 110.088 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.43 -46.47 86.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.28 109.938 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.89 -50.96 68.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.192 -0.943 . . . . 0.31 109.902 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 349' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 345' ' ' ASN . 2.8 mp0 -57.11 -34.05 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 1.91 109.547 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.24 -46.83 85.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.007 -1.058 . . . . 0.43 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.62 -52.16 62.07 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.442 -0.786 . . . . 1.57 108.984 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.06 -30.91 66.56 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.659 -0.651 . . . . 1.44 109.637 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.1 83.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.312 -0.867 . . . . 0.64 109.983 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 1.21 109.801 -179.691 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.286 0.565 . . . . 1.7 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.06 157.89 15.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.261 -0.9 . . . . 0.61 109.677 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.58 109.122 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.8 p -96.01 160.63 14.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.28 -0.888 . . . . 0.42 109.2 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.31 135.81 20.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.36 110.105 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.7 130.34 34.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 1.37 108.887 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.84 114.25 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 CA-C-O 121.576 0.703 . . . . 0.47 109.436 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -76.26 146.29 39.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 2.1 110.008 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.68 6.97 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.537 -1.025 . . . . 0.42 110.537 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.421 ' O ' ' OE2' ' A' ' 339' ' ' GLU . 27.6 ttm180 -85.2 -45.78 11.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.403 -1.057 . . . . 2.68 109.31 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.6 80.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 2.22 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.44 -0.787 . . . . 2.77 109.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -54.29 -59.48 4.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.378 -0.826 . . . . 0.43 110.341 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 339' ' ' GLU . 4.9 mp0 -51.56 -34.83 38.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.137 -0.977 . . . . 1.66 110.021 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.53 -52.54 57.19 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.211 -0.93 . . . . 0.44 110.219 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.48 -45.22 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.29 108.982 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.99 -43.94 60.78 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.376 -0.828 . . . . 2.44 109.532 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.55 -48.21 82.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 1.74 109.941 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.51 -41.55 97.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.3 109.329 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.59 -51.0 71.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 1.22 109.538 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.14 -36.87 85.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.865 . . . . 1.72 109.708 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.9 -49.09 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.898 . . . . 0.27 109.928 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -48.0 82.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.29 109.489 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.76 72.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.289 -0.882 . . . . 1.91 109.619 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.04 -50.38 68.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.41 109.346 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.16 -47.32 80.3 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.407 -0.808 . . . . 1.56 109.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.77 -35.28 72.52 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.593 -0.692 . . . . 1.43 109.645 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -48.12 68.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.66 109.88 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.34 -0.85 . . . . 1.18 109.983 -179.591 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.292 0.567 . . . . 1.61 109.815 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -95.99 157.93 15.67 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.212 -0.93 . . . . 0.57 109.703 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.27 139.15 33.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.362 -0.836 . . . . 0.53 109.045 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -95.87 160.58 14.4 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.879 . . . . 0.38 109.194 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.4 tp -148.3 135.86 20.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.36 110.025 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.63 130.4 34.58 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.806 -0.813 . . . . 1.36 108.806 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.8 mt -123.88 114.32 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 CA-C-O 121.539 0.685 . . . . 0.49 109.448 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.27 146.3 39.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.561 -0.712 . . . . 2.1 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.58 6.9 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.579 -1.009 . . . . 0.44 110.579 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' B' ' 339' ' ' GLU . 27.6 ttm180 -85.12 -45.81 11.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 2.72 109.339 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.89 -42.59 80.11 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.088 -1.008 . . . . 2.21 109.236 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.09 -39.09 93.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.45 -0.781 . . . . 2.79 109.892 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.45 -59.39 4.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.801 . . . . 0.45 110.371 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.9 mp0 -51.53 -34.91 38.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.112 -0.992 . . . . 1.68 109.965 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.52 -52.56 57.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.246 -0.908 . . . . 0.43 110.211 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.46 -45.2 95.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.134 -0.979 . . . . 0.28 109.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.03 -43.91 60.98 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.393 -0.817 . . . . 2.52 109.547 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -60.49 -48.26 82.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 1.75 109.96 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.51 -41.53 97.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.95 . . . . 0.31 109.311 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -51.07 71.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 1.21 109.424 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.05 -36.82 84.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 1.69 109.712 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -49.05 79.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 0.27 109.876 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.83 -47.99 82.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 0.3 109.51 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.81 72.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.229 -0.92 . . . . 1.93 109.602 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.04 -50.44 68.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.4 109.339 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.34 80.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.441 -0.787 . . . . 1.59 109.097 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.8 -35.11 72.31 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.581 -0.699 . . . . 1.43 109.771 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.65 109.903 -179.654 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.31 0.576 . . . . 2.11 109.811 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.98 157.96 15.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.181 -0.949 . . . . 0.64 109.607 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.25 139.29 33.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.319 -0.863 . . . . 0.49 109.086 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -95.93 160.7 14.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.268 -0.895 . . . . 0.47 109.189 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.4 135.78 20.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.42 110.061 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.65 130.4 34.58 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.799 -0.815 . . . . 1.81 108.799 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.9 114.21 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.516 -0.74 . . . . 0.42 109.416 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.2 146.27 39.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.699 . . . . 2.35 110.094 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 140.62 6.94 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.561 -1.015 . . . . 0.41 110.561 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' C' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.74 11.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.46 -1.024 . . . . 2.59 109.352 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.59 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 2.54 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.16 -39.05 93.54 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.473 -0.767 . . . . 3.39 109.836 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -54.37 -59.53 4.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.47 110.334 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' C' ' 339' ' ' GLU . 4.9 mp0 -51.48 -34.92 37.73 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.209 -0.932 . . . . 1.66 109.99 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.49 -52.54 57.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.253 -0.904 . . . . 0.61 110.224 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -45.18 95.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.113 -0.992 . . . . 0.33 109.003 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -50.99 -43.91 60.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.854 . . . . 3.28 109.606 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.52 -48.19 82.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 1.78 109.976 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.56 -41.56 97.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.38 109.311 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -50.92 72.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 1.2 109.512 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -63.2 -36.88 85.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 2.12 109.669 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.98 -48.99 79.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.223 -0.923 . . . . 0.26 109.929 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -47.99 82.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -0.983 . . . . 0.4 109.491 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.23 -34.79 72.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.915 . . . . 2.09 109.572 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.02 -50.37 68.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.322 -0.861 . . . . 0.75 109.391 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.29 80.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.337 -0.852 . . . . 2.19 109.142 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.81 -35.22 72.51 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.524 -0.735 . . . . 1.34 109.728 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.72 109.867 -179.539 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.242 0.544 . . . . 1.67 109.843 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -95.95 157.97 15.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.311 -0.868 . . . . 0.61 109.64 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.2 139.36 33.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.365 -0.835 . . . . 0.56 109.06 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 63.7 p -95.99 160.73 14.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.175 -0.953 . . . . 0.43 109.179 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.3 tp -148.47 135.78 20.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.129 -0.982 . . . . 0.35 110.034 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.64 130.45 34.57 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.783 -0.821 . . . . 1.37 108.783 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.92 114.26 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.494 -0.754 . . . . 0.48 109.412 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.19 146.25 39.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.511 -0.743 . . . . 2.08 110.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.58 6.93 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.57 -1.012 . . . . 0.4 110.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.41 ' O ' ' OE2' ' D' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.8 11.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -1.065 . . . . 2.64 109.3 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.87 -42.67 80.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 2.22 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -62.96 -39.28 94.19 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.434 -0.791 . . . . 2.74 109.831 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -54.3 -59.45 4.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.429 -0.794 . . . . 0.43 110.377 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' D' ' 339' ' ' GLU . 4.9 mp0 -51.49 -34.9 37.84 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.126 -0.983 . . . . 1.69 110.02 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.51 -52.6 56.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.11 -0.994 . . . . 0.43 110.168 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -45.09 95.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.001 -1.062 . . . . 0.27 109.024 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.13 -43.87 61.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.894 . . . . 2.45 109.547 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -60.54 -48.23 82.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 1.75 109.96 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.5 -41.58 97.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.18 -0.95 . . . . 0.31 109.31 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.58 -50.97 71.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 1.22 109.544 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.15 -36.89 85.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.73 109.689 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -48.98 79.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.28 109.968 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.97 -47.89 82.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.31 109.506 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.22 -34.8 72.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.91 109.612 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.8 tp -64.07 -50.35 68.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.43 109.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.1 -47.43 80.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.279 -0.888 . . . . 1.57 109.118 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.74 -35.17 72.29 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.507 -0.745 . . . . 1.44 109.762 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.04 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.64 109.935 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.271 -0.893 . . . . 1.21 109.918 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.336 0.589 . . . . 1.7 109.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -96.05 152.63 18.35 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.61 109.153 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -135.35 -172.72 3.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.275 -0.89 . . . . 0.58 109.278 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.56 145.55 25.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.218 -0.926 . . . . 0.42 108.952 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.2 tp -139.54 134.85 32.77 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.436 -0.79 . . . . 0.36 109.77 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -86.36 132.75 33.89 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.882 -0.785 . . . . 1.37 108.882 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.83 115.03 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.459 -0.775 . . . . 0.47 109.344 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -75.09 152.44 38.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 2.1 110.024 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 144.19 5.27 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.395 -1.082 . . . . 0.42 110.395 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -82.89 -47.81 11.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.507 -0.996 . . . . 2.68 109.256 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.91 -41.24 77.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 2.22 108.537 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.591 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -47.22 82.66 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.331 -0.856 . . . . 2.77 109.463 179.461 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -56.0 -57.99 9.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.48 -0.763 . . . . 0.43 109.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -51.06 -38.71 53.24 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.459 -0.776 . . . . 1.66 109.923 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.2 -53.63 46.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.128 -0.983 . . . . 0.44 110.208 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.32 -45.33 94.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.06 -1.025 . . . . 0.29 109.207 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.08 -41.91 60.26 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.366 -0.834 . . . . 2.44 109.369 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.02 -54.83 41.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 1.74 109.921 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.96 -39.47 81.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -0.949 . . . . 0.3 108.728 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.42 -53.8 53.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.37 -0.831 . . . . 1.22 109.428 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.99 -35.81 81.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 1.72 110.018 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.14 -49.5 76.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.27 109.881 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.07 -47.94 82.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.29 109.378 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.27 -32.25 68.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 1.91 108.748 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 350' ' ' LEU . 2.5 tt -64.35 -52.44 58.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.392 -0.817 . . . . 0.41 108.824 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -60.34 -39.69 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.716 -0.846 . . . . 1.56 108.716 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.36 -37.79 73.15 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.672 -0.642 . . . . 1.43 109.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.06 85.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.213 -0.929 . . . . 0.66 109.649 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 1.18 109.586 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.286 0.565 . . . . 1.61 109.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -96.18 152.44 18.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.57 109.155 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -135.22 -172.63 3.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.258 -0.901 . . . . 0.53 109.307 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -151.6 145.42 25.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.333 -0.854 . . . . 0.38 108.893 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -139.55 134.83 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.471 -0.768 . . . . 0.36 109.713 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.38 132.76 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.921 -0.77 . . . . 1.36 108.921 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.87 115.03 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.511 -0.743 . . . . 0.49 109.278 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.93 152.52 38.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 2.1 109.949 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.99 143.89 5.19 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.374 -1.09 . . . . 0.44 110.374 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -82.67 -47.67 11.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.54 -0.976 . . . . 2.72 109.22 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.96 -41.57 78.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 2.21 108.521 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -47.58 80.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.311 -0.868 . . . . 2.79 109.504 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -55.52 -57.85 10.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.519 -0.738 . . . . 0.45 109.5 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.27 -39.03 55.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.468 -0.77 . . . . 1.68 109.886 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -63.62 -53.57 49.49 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.215 -0.928 . . . . 0.43 110.123 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.69 -45.39 94.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.092 -1.005 . . . . 0.28 109.145 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.23 -41.39 60.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.339 -0.851 . . . . 2.52 109.289 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.28 -55.11 37.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.936 . . . . 1.75 109.897 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.86 -39.4 81.23 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.31 108.739 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.16 -53.87 53.39 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.35 -0.843 . . . . 1.21 109.429 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.98 -36.06 82.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.69 110.081 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -49.23 77.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.925 . . . . 0.27 109.862 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.07 -47.88 82.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 0.3 109.433 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -58.5 -32.48 68.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 1.93 108.737 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -64.04 -52.05 61.25 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.735 -0.839 . . . . 0.4 108.735 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -60.83 -39.86 90.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.323 -0.861 . . . . 1.59 108.765 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -57.15 -38.12 73.05 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.609 -0.682 . . . . 1.43 109.81 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 0.65 109.706 -179.618 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.211 0.529 . . . . 2.11 109.836 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -95.88 152.24 18.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.422 -0.799 . . . . 0.64 109.195 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.92 -172.15 2.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.275 -0.89 . . . . 0.49 109.29 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -151.89 145.65 25.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 0.47 108.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.4 tp -139.89 134.66 31.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.405 -0.809 . . . . 0.42 109.692 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.59 33.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.02 -0.734 . . . . 1.81 109.02 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.74 115.41 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.42 109.299 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -75.23 153.06 38.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.448 -0.782 . . . . 2.35 110.101 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.08 143.42 4.37 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.402 -1.079 . . . . 0.41 110.402 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -82.08 -47.72 12.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.501 -0.999 . . . . 2.59 109.223 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -56.79 -41.41 77.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.161 -0.962 . . . . 2.54 108.62 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.59 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.47 -47.82 80.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.359 -0.838 . . . . 3.39 109.451 179.473 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -55.39 -57.72 10.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.549 -0.719 . . . . 0.47 109.598 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.31 -38.94 55.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.392 -0.817 . . . . 1.66 109.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.86 -53.23 53.85 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.095 -1.003 . . . . 0.61 110.224 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.87 -45.03 95.53 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.107 -0.995 . . . . 0.33 109.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.5 -41.21 60.81 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.306 -0.872 . . . . 3.28 109.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.39 -55.04 38.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 1.78 109.947 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.0 -39.3 81.41 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.155 -0.966 . . . . 0.38 108.786 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.32 -53.59 56.46 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.412 -0.805 . . . . 1.2 109.428 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.25 -36.12 82.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 2.12 110.023 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.03 -49.34 77.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.195 -0.941 . . . . 0.26 109.871 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.88 -47.66 83.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.149 -0.969 . . . . 0.4 109.453 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -32.45 69.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 2.09 108.726 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -64.12 -51.95 61.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.74 -0.837 . . . . 0.75 108.74 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.95 -39.68 90.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.324 -0.86 . . . . 2.19 108.777 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.21 -37.96 73.0 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.566 -0.709 . . . . 1.34 109.845 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.905 . . . . 0.72 109.735 -179.685 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.269 0.557 . . . . 1.67 109.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -96.23 152.11 18.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.334 -0.854 . . . . 0.61 109.104 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -135.02 -172.6 3.09 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.304 -0.872 . . . . 0.56 109.241 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.69 145.49 25.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.3 -0.875 . . . . 0.43 108.853 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.5 tp -139.37 134.73 32.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.436 -0.79 . . . . 0.35 109.77 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.44 132.6 33.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.872 -0.788 . . . . 1.37 108.872 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.83 115.48 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.562 -0.712 . . . . 0.48 109.324 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -75.4 152.63 38.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 2.08 109.993 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.81 143.87 5.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.391 -1.084 . . . . 0.4 110.391 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -82.73 -47.59 11.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.996 . . . . 2.64 109.213 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.89 -41.67 78.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.485 -0.931 . . . . 2.22 108.485 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.595 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -47.49 81.32 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.374 -0.829 . . . . 2.74 109.546 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.6 -57.64 11.11 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.586 -0.696 . . . . 0.43 109.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -51.41 -38.99 56.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.424 -0.798 . . . . 1.69 109.925 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -63.87 -53.08 56.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.43 110.164 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.977 . . . . 0.27 109.206 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.38 -41.4 60.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.218 -0.927 . . . . 2.45 109.375 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.24 -54.65 43.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 1.75 109.944 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.23 -39.42 82.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.31 108.796 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.28 -53.97 52.14 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.461 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.94 -35.96 81.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 1.73 109.988 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.09 -49.45 76.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.28 109.853 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.08 -47.81 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.143 -0.973 . . . . 0.31 109.402 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.52 -32.43 68.83 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.245 -0.91 . . . . 1.91 108.801 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' C' ' 350' ' ' LEU . 2.5 tt -64.07 -52.14 60.72 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.755 -0.831 . . . . 0.43 108.755 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.74 -39.72 89.7 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.69 -0.856 . . . . 1.57 108.69 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -57.32 -37.62 72.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.63 -0.669 . . . . 1.44 109.807 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.21 85.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.64 109.715 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.371 -0.831 . . . . 1.21 109.64 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.402 -0.592 . . . . 1.7 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 151.98 18.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.245 -0.909 . . . . 0.61 110.015 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.62 -168.54 2.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.443 -0.786 . . . . 0.58 108.985 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.8 p -153.24 142.53 21.56 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.185 -0.947 . . . . 0.42 109.247 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.12 137.0 40.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.557 -0.715 . . . . 0.36 109.716 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.29 33.85 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.831 -0.803 . . . . 1.37 108.831 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.9 mt -123.45 113.56 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.352 -0.842 . . . . 0.47 109.304 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HE ' ' C ' ' A' ' 333' ' ' ARG . 0.1 OUTLIER -74.63 149.99 39.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.541 -0.724 . . . . 2.1 109.998 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.33 138.96 6.41 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.959 -1.256 . . . . 0.42 109.959 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.92 -50.89 11.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -1.151 . . . . 2.68 109.339 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.88 -38.81 76.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 2.22 109.159 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.581 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.5 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.393 -0.817 . . . . 2.77 109.311 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.3 -56.6 18.14 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.684 -0.635 . . . . 0.43 109.823 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.271 -0.893 . . . . 1.66 110.08 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.82 -51.3 65.34 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.2 -0.938 . . . . 0.44 110.576 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.46 80.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.0 -1.062 . . . . 0.29 109.566 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.45 -39.04 46.62 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.069 -1.019 . . . . 2.44 109.371 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.58 -46.77 88.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.148 -0.97 . . . . 1.74 109.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.85 -49.16 77.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 0.3 109.215 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.28 -47.3 84.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.201 -0.937 . . . . 1.22 109.432 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.69 -38.45 87.87 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.327 -0.858 . . . . 1.72 109.444 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.27 -50.16 75.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.35 -0.844 . . . . 0.27 109.577 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.25 -43.07 99.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.29 109.369 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.83 -37.01 75.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 1.91 109.256 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.63 -48.35 77.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.41 109.181 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.48 -47.83 80.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 1.56 109.029 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.57 -34.23 68.99 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.587 -0.696 . . . . 1.43 109.482 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.98 83.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.858 . . . . 0.66 109.84 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 1.18 109.616 -179.766 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.412 -0.588 . . . . 1.61 109.412 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.9 151.87 18.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.305 -0.872 . . . . 0.57 110.026 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.54 -168.56 2.12 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.453 -0.779 . . . . 0.53 108.955 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.9 p -153.26 142.56 21.56 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.104 -0.997 . . . . 0.38 109.153 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.9 tp -136.16 136.96 40.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.589 -0.694 . . . . 0.36 109.715 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.84 132.28 33.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.882 -0.785 . . . . 1.36 108.882 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.0 mt -123.48 113.55 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.517 -0.74 . . . . 0.49 109.295 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.424 ' HE ' ' C ' ' B' ' 333' ' ' ARG . 0.1 OUTLIER -74.66 150.06 39.71 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.643 -0.661 . . . . 2.1 109.995 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.31 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.011 -1.235 . . . . 0.44 110.011 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -78.02 -50.87 11.27 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -1.134 . . . . 2.72 109.287 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.94 -38.83 76.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 2.21 109.136 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -45.9 83.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 2.79 109.394 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.35 -56.61 18.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.653 -0.655 . . . . 0.45 109.804 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -51.55 -40.16 59.17 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.388 -0.82 . . . . 1.68 110.159 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.83 -51.24 65.61 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.43 110.642 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.96 -48.47 80.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.044 -1.035 . . . . 0.28 109.582 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.46 -39.06 46.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.087 -1.008 . . . . 2.52 109.419 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -61.55 -46.81 88.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.971 . . . . 1.75 109.56 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.82 -49.14 77.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.335 -0.853 . . . . 0.31 109.289 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.23 -47.36 83.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 1.21 109.425 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.57 -38.7 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.306 -0.871 . . . . 1.69 109.437 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.07 -50.07 75.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.326 -0.859 . . . . 0.27 109.71 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.33 -43.0 99.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.328 -0.857 . . . . 0.3 109.363 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.91 -36.98 75.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.93 109.208 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.7 -48.21 78.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.37 -0.831 . . . . 0.4 109.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.59 -47.7 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 1.59 109.02 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.78 -34.15 69.3 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.622 -0.674 . . . . 1.43 109.467 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.65 109.895 -179.717 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.427 -0.583 . . . . 2.11 109.427 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -94.87 152.02 18.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.174 -0.954 . . . . 0.64 110.032 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.72 -168.54 2.13 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.967 -0.753 . . . . 0.49 108.967 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.1 p -153.29 142.21 21.19 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.165 -0.959 . . . . 0.47 109.247 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -135.91 137.04 40.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.566 -0.709 . . . . 0.42 109.709 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.88 132.31 33.85 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.833 -0.803 . . . . 1.81 108.833 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.53 113.56 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.419 -0.8 . . . . 0.42 109.176 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HE ' ' C ' ' C' ' 333' ' ' ARG . 0.1 OUTLIER -74.67 150.06 39.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.647 -0.658 . . . . 2.35 109.957 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.35 138.89 6.4 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.068 -1.213 . . . . 0.41 110.068 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.9 -50.97 11.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -1.105 . . . . 2.59 109.246 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.9 -38.76 76.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 2.54 109.087 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.583 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -45.93 83.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.374 -0.829 . . . . 3.39 109.364 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.34 -56.63 17.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.647 -0.658 . . . . 0.47 109.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.352 -0.843 . . . . 1.66 110.128 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.88 -51.24 65.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.189 -0.944 . . . . 0.61 110.612 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.0 -48.32 80.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.33 109.657 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.53 -39.05 47.89 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.088 -1.007 . . . . 3.28 109.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.63 -46.74 88.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 1.78 109.489 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.9 -49.08 77.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 0.38 109.271 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.25 -47.36 83.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.264 -0.897 . . . . 1.2 109.431 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.63 -38.6 88.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.334 -0.854 . . . . 2.12 109.405 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.03 -50.29 74.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.26 109.601 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.22 -43.02 99.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.4 109.422 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.87 -36.91 75.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.279 -0.888 . . . . 2.09 109.291 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.77 -48.32 77.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.384 -0.822 . . . . 0.75 109.165 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.47 -47.81 80.26 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 2.19 108.963 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.63 -34.35 69.22 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.587 -0.695 . . . . 1.34 109.393 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.72 109.829 -179.678 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.428 -0.582 . . . . 1.67 109.428 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 152.01 18.75 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.264 -0.897 . . . . 0.61 109.984 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.75 -168.57 2.14 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.901 -0.777 . . . . 0.56 108.901 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -153.27 142.47 21.45 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.132 -0.98 . . . . 0.43 109.249 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.12 137.04 40.6 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -0.751 . . . . 0.35 109.748 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.23 33.87 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.787 -0.82 . . . . 1.37 108.787 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.43 113.63 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.451 -0.781 . . . . 0.48 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.43 ' HE ' ' C ' ' D' ' 333' ' ' ARG . 0.1 OUTLIER -74.68 150.04 39.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.606 -0.684 . . . . 2.08 109.965 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.3 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.034 -1.227 . . . . 0.4 110.034 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.94 -50.9 11.27 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.299 -1.118 . . . . 2.64 109.3 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.83 -38.84 76.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 2.22 109.125 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.582 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.353 -0.842 . . . . 2.74 109.33 179.739 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.34 -56.6 18.21 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.716 -0.615 . . . . 0.43 109.819 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -51.53 -40.16 59.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.363 -0.835 . . . . 1.69 110.137 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -51.21 65.53 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.136 -0.978 . . . . 0.43 110.575 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.51 80.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.157 -0.964 . . . . 0.27 109.553 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.48 -39.0 46.94 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.13 -0.981 . . . . 2.45 109.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.66 -46.71 88.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.75 109.516 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.93 -49.08 77.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.263 -0.898 . . . . 0.31 109.187 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -58.28 -47.36 83.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 1.22 109.378 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.58 -38.71 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.338 -0.851 . . . . 1.73 109.364 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.08 -50.17 75.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 0.28 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.3 -43.0 99.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.31 109.4 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.81 -36.97 75.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.91 109.266 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.72 -48.31 77.57 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 0.43 109.208 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.5 -47.68 80.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.331 -0.855 . . . . 1.57 108.999 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.77 -34.23 69.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.637 -0.664 . . . . 1.44 109.433 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.85 82.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.64 109.884 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.781 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.263 0.554 . . . . 1.7 109.565 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.52 158.98 15.44 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.254 -0.904 . . . . 0.61 109.258 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.41 -173.64 3.66 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 0.58 109.46 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -151.67 115.49 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 0.42 108.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -101.18 136.65 40.69 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.504 -0.748 . . . . 0.36 109.703 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -86.0 128.58 34.88 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.51 -0.922 . . . . 1.37 108.51 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.16 115.91 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.739 0.781 . . . . 0.47 109.723 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -75.23 147.6 40.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.196 -0.668 . . . . 2.1 109.196 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 145.67 13.25 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 109.799 -1.32 . . . . 0.42 109.799 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.54 -51.48 7.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -1.116 . . . . 2.68 109.525 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.47 -37.78 73.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 2.22 109.232 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.537 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -48.23 79.02 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 2.77 109.545 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.92 -60.15 3.76 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.668 -0.645 . . . . 0.43 109.859 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.42 -38.75 44.74 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.507 -0.746 . . . . 1.66 110.109 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.25 -51.49 63.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.005 -1.059 . . . . 0.44 110.122 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.15 -45.88 91.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.105 -0.997 . . . . 0.29 109.005 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.67 -42.31 45.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.17 -0.956 . . . . 2.44 109.157 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.25 86.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 1.74 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.44 -47.67 85.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.3 109.022 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.09 -48.33 80.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 1.22 109.485 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -61.64 -37.35 83.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.72 109.761 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.57 -56.18 25.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.315 -0.865 . . . . 0.27 110.012 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.4 -39.81 92.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.238 -0.914 . . . . 0.29 109.408 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -61.51 -39.61 91.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.23 -0.919 . . . . 1.91 109.554 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.27 -49.29 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.269 -0.894 . . . . 0.41 108.994 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -64.34 -49.57 71.15 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.651 0.738 . . . . 1.56 109.321 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -55.7 -34.29 64.96 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 120.3 -0.56 . . . . 1.43 109.528 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -45.69 76.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66 109.589 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.342 -0.849 . . . . 1.18 109.468 -179.878 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.557 -0.534 . . . . 1.61 109.557 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -93.37 159.16 15.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.31 -0.869 . . . . 0.57 109.408 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.63 -173.61 3.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.53 109.406 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.2 p -151.72 115.46 4.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -0.775 . . . . 0.38 108.99 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.7 tp -101.12 136.68 40.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.666 . . . . 0.36 109.784 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -86.16 128.53 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.384 -0.969 . . . . 1.36 108.384 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.13 115.93 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 CA-C-O 121.754 0.788 . . . . 0.49 109.723 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -75.16 147.41 40.47 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.266 -0.642 . . . . 2.1 109.266 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.04 145.84 13.92 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.811 -1.316 . . . . 0.44 109.811 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.65 -51.54 7.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.319 -1.106 . . . . 2.72 109.53 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -57.33 -37.98 73.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 2.21 109.243 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.545 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.25 78.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.322 -0.861 . . . . 2.79 109.475 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.98 -60.01 3.96 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.657 -0.652 . . . . 0.45 109.756 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -50.55 -38.69 46.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.68 110.059 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.27 -51.52 63.15 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.055 -1.028 . . . . 0.43 110.122 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.16 -45.86 91.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.958 -1.089 . . . . 0.28 108.987 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -49.62 -42.49 45.09 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.106 -0.996 . . . . 2.52 109.058 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.46 -47.11 86.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.45 -0.781 . . . . 1.75 109.521 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.63 -47.64 85.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.31 109.003 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.07 -48.39 80.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.336 -0.853 . . . . 1.21 109.482 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.65 -37.26 83.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.291 -0.881 . . . . 1.69 109.766 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -56.1 26.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.27 109.987 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.3 -40.06 92.76 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.163 -0.96 . . . . 0.3 109.448 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.73 91.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.197 -0.94 . . . . 1.93 109.585 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.44 -49.5 75.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.929 . . . . 0.4 109.053 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.09 -49.53 71.87 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.83 0.824 . . . . 1.59 109.195 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -55.65 -34.58 65.09 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.734 -0.604 . . . . 1.43 109.478 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.208 -0.932 . . . . 0.65 109.507 -179.737 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.563 -0.532 . . . . 2.11 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -93.4 159.04 15.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.27 -0.894 . . . . 0.64 109.35 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.49 -173.66 3.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.49 109.421 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -151.63 115.42 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -0.816 . . . . 0.47 108.977 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.93 136.84 40.15 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.511 -0.743 . . . . 0.42 109.851 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.22 128.64 34.94 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.352 -0.981 . . . . 1.81 108.352 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.17 115.88 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 121.677 0.751 . . . . 0.42 109.774 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -75.32 147.53 40.07 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.197 -0.668 . . . . 2.35 109.197 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 145.61 13.2 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.759 -1.336 . . . . 0.41 109.759 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.48 -51.34 7.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -1.092 . . . . 2.59 109.583 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -57.53 -37.84 73.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.915 . . . . 2.54 109.161 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.536 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -48.22 79.07 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.27 -0.894 . . . . 3.39 109.584 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.91 -60.02 3.94 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.436 0.636 . . . . 0.47 109.885 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -50.52 -38.87 46.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.416 -0.802 . . . . 1.66 110.063 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.07 -51.55 63.55 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.121 -0.987 . . . . 0.61 110.165 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -62.17 -45.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.043 -1.036 . . . . 0.33 109.028 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.72 -42.55 46.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.111 -0.993 . . . . 3.28 108.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.31 -47.26 86.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.48 -0.762 . . . . 1.78 109.523 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 53.5 mt -60.62 -47.53 85.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.877 . . . . 0.38 109.054 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.15 -48.29 80.71 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.391 -0.818 . . . . 1.2 109.43 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 2.12 109.753 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -56.09 26.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 0.26 109.933 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.38 -40.02 92.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.149 -0.97 . . . . 0.4 109.456 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.81 91.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.192 -0.942 . . . . 2.09 109.522 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -62.39 -49.46 75.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.75 109.046 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.2 -49.41 72.13 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.771 0.796 . . . . 2.19 109.223 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -55.76 -34.49 65.28 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.503 -0.555 . . . . 1.34 109.503 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.72 109.479 -179.749 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.497 -0.557 . . . . 1.67 109.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -93.38 159.23 15.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.309 -0.869 . . . . 0.61 109.392 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.65 -173.69 3.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.56 109.448 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.4 p -151.61 115.53 4.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.437 -0.789 . . . . 0.43 108.88 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -101.09 136.57 40.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.492 -0.755 . . . . 0.35 109.79 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.87 128.43 34.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.59 -0.893 . . . . 1.37 108.59 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.06 115.93 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-O 121.707 0.765 . . . . 0.48 109.734 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -75.22 147.24 40.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.284 -0.636 . . . . 2.08 109.284 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 145.72 13.63 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.963 -1.255 . . . . 0.4 109.963 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.52 -51.46 7.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -1.122 . . . . 2.64 109.626 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -57.37 -38.05 73.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 2.22 109.226 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.544 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.9 -48.3 78.52 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.315 -0.866 . . . . 2.74 109.622 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.88 -60.04 3.91 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.657 -0.652 . . . . 0.43 109.832 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -50.57 -38.76 47.02 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.527 -0.733 . . . . 1.69 110.011 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.2 -51.5 63.43 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.083 -1.011 . . . . 0.43 110.149 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.07 -45.87 91.63 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.034 -1.041 . . . . 0.27 109.018 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -49.73 -42.4 46.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.991 . . . . 2.45 109.038 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.15 86.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.465 -0.772 . . . . 1.75 109.469 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.61 -47.54 85.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.824 . . . . 0.31 109.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -58.17 -48.35 80.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.453 -0.779 . . . . 1.22 109.401 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.66 -37.32 83.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.73 109.794 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.66 -56.01 27.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.28 109.952 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 -39.98 92.77 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.181 -0.949 . . . . 0.31 109.374 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.35 -39.64 91.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.119 -0.988 . . . . 1.91 109.561 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.3 tp -62.34 -49.19 76.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.43 109.005 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -64.39 -49.58 71.01 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.729 0.776 . . . . 1.57 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.59 -34.39 64.78 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.448 -0.575 . . . . 1.44 109.448 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.71 76.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.14 -0.975 . . . . 0.64 109.531 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.21 109.548 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.23 0.538 . . . . 1.7 109.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -96.18 144.99 25.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.227 -0.921 . . . . 0.61 109.503 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -134.59 -172.55 3.05 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.366 -0.834 . . . . 0.58 109.542 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.0 p -149.63 150.65 32.5 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.56 -0.904 . . . . 0.42 108.56 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -142.82 134.42 26.53 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.229 -0.919 . . . . 0.36 109.925 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.35 126.97 33.7 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.588 -0.893 . . . . 1.37 108.588 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.24 109.56 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.47 109.203 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.32 149.61 38.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.598 -0.689 . . . . 2.1 109.792 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.1 114.24 1.35 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.962 -1.255 . . . . 0.42 109.962 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 335' ' ' ARG . 11.4 ttt-85 -65.24 -37.15 86.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -1.14 . . . . 2.68 108.75 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.9 -51.88 68.12 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.439 -0.788 . . . . 2.22 109.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.497 ' HG3' HH11 ' A' ' 337' ' ' ARG . 21.0 ttm-85 -65.18 -36.11 83.17 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.232 -0.917 . . . . 2.77 109.938 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.47 -52.33 47.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.43 109.169 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.87 -38.72 70.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 1.66 109.176 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.85 -53.88 47.41 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.433 -0.792 . . . . 0.44 110.324 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.34 -47.19 87.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.154 -0.966 . . . . 0.29 109.065 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.75 -42.13 62.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.158 -0.964 . . . . 2.44 109.347 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.59 -48.29 82.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 1.74 109.806 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.49 -39.52 88.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.139 -0.975 . . . . 0.3 108.831 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.38 -56.12 26.16 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.533 -0.729 . . . . 1.22 109.287 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 1.72 110.277 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.79 11.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.27 110.194 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.86 -40.77 94.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.253 -0.905 . . . . 0.29 109.643 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.35 -33.82 72.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 1.91 109.239 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.36 -51.79 58.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.41 109.569 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -62.9 -41.05 99.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.366 -0.834 . . . . 1.56 109.099 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.78 -36.64 70.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 1.43 109.483 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.86 68.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.66 109.64 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.18 109.699 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.256 0.551 . . . . 1.61 109.623 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -96.19 144.97 25.93 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.193 -0.942 . . . . 0.57 109.528 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -134.57 -172.6 3.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.337 -0.852 . . . . 0.53 109.523 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 63.1 p -149.55 150.75 32.73 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.51 -0.922 . . . . 0.38 108.51 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.82 134.49 26.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.264 -0.897 . . . . 0.36 109.918 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.53 127.0 33.8 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.49 -0.929 . . . . 1.36 108.49 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.26 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.387 -0.821 . . . . 0.49 109.238 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.72 38.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.632 -0.667 . . . . 2.1 109.831 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 114.19 1.33 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.948 -1.261 . . . . 0.44 109.948 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.48 ' HG2' HH11 ' B' ' 335' ' ' ARG . 11.3 ttt-85 -65.13 -37.21 86.69 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -1.096 . . . . 2.72 108.777 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.89 -51.87 68.17 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.75 . . . . 2.21 109.865 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.489 HH11 ' HG3' ' B' ' 337' ' ' ARG . 21.0 ttm-85 -65.16 -36.08 83.11 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.267 -0.896 . . . . 2.79 109.933 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.55 -52.33 47.98 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.273 -0.892 . . . . 0.45 109.133 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -38.64 70.36 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.337 -0.852 . . . . 1.68 109.252 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.94 -53.91 46.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.503 -0.748 . . . . 0.43 110.308 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.33 -47.22 86.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.137 -0.977 . . . . 0.28 109.096 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.7 -42.09 61.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.221 -0.925 . . . . 2.52 109.385 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.31 82.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -0.976 . . . . 1.75 109.831 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.41 -39.61 88.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 0.31 108.857 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.39 -56.1 26.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.434 -0.791 . . . . 1.21 109.236 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.02 -38.1 89.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.419 -0.801 . . . . 1.69 110.194 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.41 -57.8 11.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.27 110.201 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.83 -40.8 94.17 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.277 -0.889 . . . . 0.3 109.604 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.34 -33.91 73.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.077 -1.015 . . . . 1.93 109.155 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.37 -51.8 57.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.372 -0.83 . . . . 0.4 109.574 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.84 -41.12 99.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.331 -0.856 . . . . 1.59 109.037 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.74 -36.65 70.0 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.564 -0.71 . . . . 1.43 109.508 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.65 109.608 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.23 0.538 . . . . 2.11 109.639 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.23 144.89 26.02 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.206 -0.934 . . . . 0.64 109.518 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.45 -172.66 3.07 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.49 109.544 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 62.9 p -149.54 150.55 32.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.238 -0.914 . . . . 0.47 108.542 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 134.43 26.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.169 -0.957 . . . . 0.42 109.94 -178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.45 127.06 33.8 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.469 -0.937 . . . . 1.81 108.469 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.0 mt -123.29 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.569 -0.707 . . . . 0.42 109.244 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.64 38.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.578 -0.701 . . . . 2.35 109.797 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 114.18 1.35 Allowed Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.946 -1.262 . . . . 0.41 109.946 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' C' ' 335' ' ' ARG . 11.3 ttt-85 -65.24 -37.12 86.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.237 -1.155 . . . . 2.59 108.773 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.83 -51.98 67.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.393 -0.817 . . . . 2.54 109.82 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' C' ' 337' ' ' ARG . 21.1 ttm-85 -65.15 -36.14 83.32 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.288 -0.883 . . . . 3.39 109.84 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.53 -52.37 47.58 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.47 109.124 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.8 -38.72 70.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 1.66 109.165 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.93 -53.9 46.88 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.488 -0.757 . . . . 0.61 110.245 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.3 -47.17 87.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.198 -0.939 . . . . 0.33 109.094 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -51.83 -42.13 62.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.298 -0.877 . . . . 3.28 109.33 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.19 82.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.133 -0.979 . . . . 1.78 109.914 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.55 -39.45 87.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.211 -0.93 . . . . 0.38 108.865 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.45 -56.07 26.82 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.425 -0.797 . . . . 1.2 109.271 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.1 -38.01 89.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.463 -0.773 . . . . 2.12 110.18 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.64 11.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.107 -0.996 . . . . 0.26 110.203 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.01 -40.71 94.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.4 109.551 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.38 -33.87 73.08 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.167 -0.958 . . . . 2.09 109.253 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.42 -51.73 58.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.75 109.601 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.87 -41.13 99.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 2.19 109.067 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -56.73 -36.64 69.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.627 -0.671 . . . . 1.34 109.504 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.72 109.713 -179.871 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.229 0.538 . . . . 1.67 109.628 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -96.17 145.01 25.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.249 -0.907 . . . . 0.61 109.511 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.63 -172.72 3.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.355 -0.84 . . . . 0.56 109.567 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 62.4 p -149.53 150.77 32.8 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.434 -0.95 . . . . 0.43 108.434 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.81 134.47 26.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.231 -0.918 . . . . 0.35 109.912 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.54 127.03 33.83 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.49 -0.93 . . . . 1.37 108.49 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.3 109.51 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.431 -0.793 . . . . 0.48 109.221 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.34 149.59 38.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.645 -0.659 . . . . 2.08 109.863 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.11 114.26 1.35 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.973 -1.251 . . . . 0.4 109.973 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.479 ' HG2' HH11 ' D' ' 335' ' ' ARG . 11.2 ttt-85 -65.25 -37.2 86.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.274 -1.133 . . . . 2.64 108.696 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.82 -51.97 67.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 2.22 109.8 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.477 ' HG3' HH11 ' D' ' 337' ' ' ARG . 21.1 ttm-85 -65.02 -36.21 83.67 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.18 -0.95 . . . . 2.74 109.926 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.48 -52.39 47.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 0.43 109.117 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.79 -38.72 70.31 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.69 109.222 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.88 -53.96 46.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.491 -0.756 . . . . 0.43 110.249 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.27 -47.2 87.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.27 109.104 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.73 -42.1 62.02 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.245 -0.909 . . . . 2.45 109.376 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.67 -48.19 82.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.091 -1.006 . . . . 1.75 109.819 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.51 -39.51 88.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.233 -0.917 . . . . 0.31 108.809 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.37 -56.26 24.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.408 -0.807 . . . . 1.22 109.175 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -62.92 -38.12 89.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.442 -0.786 . . . . 1.73 110.289 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.39 -57.77 11.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.15 -0.969 . . . . 0.28 110.235 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -40.86 94.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 0.31 109.585 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.22 -33.93 72.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.174 -0.954 . . . . 1.91 109.283 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.38 -51.77 58.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.87 . . . . 0.43 109.591 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.85 -41.07 99.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.35 -0.844 . . . . 1.57 109.06 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -56.83 -36.65 70.21 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.559 -0.713 . . . . 1.44 109.467 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.95 68.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.64 109.639 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 1.21 109.65 -179.836 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.321 0.581 . . . . 1.7 109.609 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -95.16 158.06 15.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.228 -0.92 . . . . 0.61 109.633 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -137.05 -168.27 2.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.399 -0.813 . . . . 0.58 109.484 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.0 143.33 23.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.42 108.729 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.8 tp -139.01 137.5 36.39 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 0.36 109.834 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.46 131.25 34.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.406 -0.961 . . . . 1.37 108.406 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.7 mt -123.42 116.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.376 -0.828 . . . . 0.47 109.512 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 31.3 ttt-85 -75.16 151.36 38.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.604 -0.685 . . . . 2.1 109.74 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.66 132.89 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.269 -1.133 . . . . 0.42 110.269 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.43 -48.08 14.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.389 -1.066 . . . . 2.68 109.38 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 336' ' ' GLU . 1.6 pm0 -59.21 -39.71 83.51 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.087 -1.008 . . . . 2.22 108.901 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.55 -41.44 98.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.904 . . . . 2.77 109.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.57 -57.08 13.41 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.619 -0.676 . . . . 0.43 110.009 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.444 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 80.1 mm-40 -51.28 -37.52 47.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.275 -0.89 . . . . 1.66 109.859 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.62 58.97 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.883 . . . . 0.44 110.318 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -61.14 -43.63 98.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.013 . . . . 0.29 109.142 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 41.7 ttp180 -51.42 -44.77 62.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.181 -0.949 . . . . 2.44 109.203 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.31 -47.52 85.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.836 . . . . 1.74 109.831 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.76 -41.01 94.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.3 109.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.99 -54.49 46.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.885 . . . . 1.22 109.318 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' B' ' 351' ' ' LYS . 61.3 tt0 -63.74 -31.14 72.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 1.72 109.373 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -52.82 64.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.27 109.867 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.33 -45.25 95.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.212 -0.93 . . . . 0.29 109.211 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.93 -36.05 74.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.201 -0.937 . . . . 1.91 109.358 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.72 -48.24 77.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.41 109.253 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.19 -46.92 84.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.381 -0.825 . . . . 1.56 108.945 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.09 63.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.705 -0.622 . . . . 1.43 109.733 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.08 73.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.209 -0.932 . . . . 0.66 109.605 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 1.18 109.38 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.268 0.556 . . . . 1.61 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.21 157.9 15.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.19 -0.944 . . . . 0.57 109.615 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.91 -168.15 2.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.53 109.482 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -152.07 143.38 23.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.252 -0.905 . . . . 0.38 108.696 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.9 tp -139.08 137.58 36.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.381 -0.824 . . . . 0.36 109.839 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.51 131.32 34.39 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.393 -0.966 . . . . 1.36 108.393 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.45 116.89 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.458 -0.776 . . . . 0.49 109.523 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.18 151.37 38.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.69 -0.631 . . . . 2.1 109.669 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 132.78 2.55 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.267 -1.133 . . . . 0.44 110.267 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.29 -48.29 14.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -1.099 . . . . 2.72 109.3 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.646 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 1.6 pm0 -59.17 -39.67 83.23 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.104 -0.997 . . . . 2.21 108.92 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.57 -41.43 98.38 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 2.79 109.191 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.55 -57.18 13.0 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.618 -0.676 . . . . 0.45 109.967 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.454 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 80.3 mm-40 -51.21 -37.58 47.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.68 109.807 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.67 58.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.235 -0.916 . . . . 0.43 110.29 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -61.09 -43.64 98.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.02 -1.05 . . . . 0.28 109.189 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 41.6 ttp180 -51.38 -44.76 62.22 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.192 -0.942 . . . . 2.52 109.217 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.37 -47.53 85.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 1.75 109.784 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.75 -40.93 94.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.31 109.057 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -58.11 -54.5 46.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 1.21 109.198 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.74 -31.2 72.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 1.69 109.405 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.79 -52.79 64.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.27 109.949 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.37 -45.13 95.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 0.3 109.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.04 -36.0 74.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.93 109.301 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.71 -48.13 78.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -0.861 . . . . 0.4 109.267 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' A' ' 346' ' ' GLU . 15.0 ttmm -63.39 -46.84 84.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.402 -0.811 . . . . 1.59 108.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.02 63.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.645 -0.659 . . . . 1.43 109.683 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.65 109.642 -179.784 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.31 0.576 . . . . 2.11 109.631 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.11 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.157 -0.964 . . . . 0.64 109.694 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.02 -168.25 2.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.478 -0.764 . . . . 0.49 109.44 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.04 143.29 23.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.23 -0.919 . . . . 0.47 108.772 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.01 137.55 36.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.378 -0.826 . . . . 0.42 109.814 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.53 131.22 34.4 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.375 -0.972 . . . . 1.81 108.375 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.4 116.93 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.452 -0.78 . . . . 0.42 109.446 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.405 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 31.5 ttt-85 -75.25 151.42 38.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.534 -0.729 . . . . 2.35 109.608 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.64 132.87 2.54 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.25 -1.14 . . . . 0.41 110.25 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.36 -48.17 14.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.327 -1.102 . . . . 2.59 109.38 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 1.6 pm0 -59.18 -39.7 83.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.07 -1.019 . . . . 2.54 108.914 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.58 -41.37 98.38 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.358 -0.838 . . . . 3.39 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -55.64 -57.08 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.639 -0.663 . . . . 0.47 109.955 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 80.2 mm-40 -51.26 -37.56 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.66 109.815 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.91 -52.64 58.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.61 110.341 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.04 -43.71 98.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.33 109.206 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 41.6 ttp180 -51.36 -44.77 62.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.201 -0.937 . . . . 3.28 109.16 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.42 -47.34 86.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -0.832 . . . . 1.78 109.845 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.91 -40.93 95.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 0.38 108.991 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.09 -54.42 47.17 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 1.2 109.274 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -63.84 -31.03 72.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 2.12 109.452 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.89 63.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.26 109.867 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.28 -45.17 95.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.4 109.306 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.14 -36.0 74.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.313 -0.867 . . . . 2.09 109.259 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.71 -48.24 77.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.336 -0.852 . . . . 0.75 109.282 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -63.26 -46.89 84.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 2.19 108.891 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.98 -29.99 63.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.781 -0.574 . . . . 1.34 109.606 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.72 109.614 -179.771 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.274 0.559 . . . . 1.67 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.11 158.03 15.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.945 . . . . 0.61 109.634 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.98 -168.2 2.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.418 -0.801 . . . . 0.56 109.427 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -152.08 143.29 23.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.305 -0.872 . . . . 0.43 108.78 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.0 137.5 36.39 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.82 . . . . 0.35 109.805 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -85.46 131.18 34.42 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.424 -0.954 . . . . 1.37 108.424 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 116.86 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.49 -0.756 . . . . 0.48 109.503 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.18 151.34 38.5 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.598 -0.689 . . . . 2.08 109.668 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.74 132.81 2.57 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.247 -1.141 . . . . 0.4 110.247 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.29 -48.21 14.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.09 . . . . 2.64 109.339 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.628 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 1.6 pm0 -59.22 -39.61 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.038 -1.039 . . . . 2.22 108.904 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.55 -41.52 98.43 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.276 -0.89 . . . . 2.74 109.161 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.6 -57.11 13.32 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.66 -0.65 . . . . 0.43 109.926 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.457 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 80.3 mm-40 -51.27 -37.56 47.9 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.272 -0.892 . . . . 1.69 109.849 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.88 -52.68 58.85 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.233 -0.917 . . . . 0.43 110.312 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.27 109.242 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.457 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 41.7 ttp180 -51.44 -44.75 62.44 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.156 -0.965 . . . . 2.45 109.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.38 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.75 109.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.9 -40.94 94.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.31 108.997 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.08 -54.43 47.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.285 -0.884 . . . . 1.22 109.248 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -63.78 -31.08 72.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 1.73 109.405 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.89 63.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.28 109.931 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.26 -45.23 95.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -0.919 . . . . 0.31 109.266 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.128 -0.982 . . . . 1.91 109.334 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.8 -48.17 77.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.43 109.224 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.28 -46.91 84.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.403 -0.811 . . . . 1.57 108.851 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.14 63.52 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.647 -0.658 . . . . 1.44 109.679 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.16 73.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.64 109.621 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 1.21 109.426 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.205 0.526 . . . . 1.7 109.693 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.31 155.77 16.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.92 . . . . 0.61 109.414 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.72 1.67 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.242 -0.911 . . . . 0.58 109.533 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.9 p -152.12 147.42 26.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.245 -0.91 . . . . 0.42 109.131 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.01 133.89 36.01 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.418 -0.801 . . . . 0.36 110.187 -178.561 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.23 129.34 34.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 1.37 109.13 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.96 119.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.506 -0.746 . . . . 0.47 109.188 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.22 152.02 39.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.64 -0.663 . . . . 2.1 110.214 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.63 139.93 2.47 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.321 -1.111 . . . . 0.42 110.321 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.485 ' HG3' HH11 ' A' ' 335' ' ' ARG . 6.6 ttm-85 -79.78 -44.55 20.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.415 -1.05 . . . . 2.68 109.227 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.03 -41.93 84.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 2.22 109.121 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -62.49 -43.44 98.81 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.392 -0.817 . . . . 2.77 109.015 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.84 -57.9 10.1 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.621 -0.674 . . . . 0.43 109.609 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 30.6 mm-40 -51.66 -39.29 57.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.66 109.856 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.68 -52.41 60.76 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.227 -0.92 . . . . 0.44 110.225 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.11 -47.29 86.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.099 -1.001 . . . . 0.29 109.243 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 42.2 ttp180 -50.92 -42.39 59.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 2.44 109.543 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.86 -41.85 87.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.917 . . . . 1.74 109.784 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.11 -47.98 82.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.166 -0.959 . . . . 0.3 109.36 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.51 -47.71 78.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.154 -0.966 . . . . 1.22 109.516 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -39.62 93.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 1.72 109.765 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -50.61 73.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 0.27 109.723 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.06 -44.5 96.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 0.29 109.682 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.73 -33.97 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 1.91 109.426 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' B' ' 350' ' ' LEU . 2.4 tt -64.93 -52.23 57.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.41 109.317 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.26 -44.29 97.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.341 -0.849 . . . . 1.56 109.245 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.93 -35.15 68.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.533 -0.73 . . . . 1.43 109.53 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.79 84.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.66 109.682 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.18 109.642 -179.761 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.199 0.523 . . . . 1.61 109.687 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.42 155.8 16.79 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.282 -0.886 . . . . 0.57 109.465 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.15 -164.74 1.68 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.363 -0.836 . . . . 0.53 109.495 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.6 p -151.99 147.61 26.75 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.9 tp -137.29 133.74 35.33 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.462 -0.774 . . . . 0.36 110.17 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.15 129.39 34.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.492 -0.755 . . . . 1.36 109.076 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.02 119.04 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.522 -0.736 . . . . 0.49 109.203 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.23 152.03 39.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.588 -0.695 . . . . 2.1 110.153 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.47 139.99 2.42 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.381 -1.088 . . . . 0.44 110.381 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.481 ' HG3' HH11 ' B' ' 335' ' ' ARG . 6.5 ttm-85 -79.78 -44.57 20.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -1.032 . . . . 2.72 109.228 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 2.21 109.058 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.54 -43.44 98.8 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.331 -0.856 . . . . 2.79 109.007 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.68 -57.98 9.72 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.646 -0.659 . . . . 0.45 109.644 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 30.7 mm-40 -51.67 -39.34 58.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.339 -0.85 . . . . 1.68 109.741 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.69 -52.46 60.53 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.234 -0.916 . . . . 0.43 110.182 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.02 -47.37 86.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 0.28 109.214 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 42.1 ttp180 -50.97 -42.33 59.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.239 -0.913 . . . . 2.52 109.536 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.82 -41.93 87.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.909 . . . . 1.75 109.782 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.02 -48.02 82.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.161 -0.962 . . . . 0.31 109.397 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -56.46 -47.73 78.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 1.21 109.515 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.34 -39.85 94.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.932 . . . . 1.69 109.744 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.67 72.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.27 109.733 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.08 -44.6 96.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.3 109.607 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.63 -33.89 72.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 1.93 109.516 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -65.12 -52.16 57.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.408 -0.808 . . . . 0.4 109.247 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.21 -44.35 97.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 1.59 109.187 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 -35.16 68.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.503 -0.748 . . . . 1.43 109.508 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 0.65 109.7 -179.892 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.243 0.544 . . . . 2.11 109.664 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.41 155.83 16.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.287 -0.883 . . . . 0.64 109.388 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.8 1.68 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.49 109.5 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.7 p -152.07 147.42 26.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.149 -0.97 . . . . 0.47 109.171 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.0 133.81 35.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.484 -0.76 . . . . 0.42 110.312 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.12 129.46 34.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.458 -0.776 . . . . 1.81 109.08 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -124.11 118.88 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.437 -0.789 . . . . 0.42 109.259 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.14 151.99 39.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 2.35 110.278 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.61 140.1 2.5 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.282 -1.127 . . . . 0.41 110.282 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.466 HH11 ' HG3' ' C' ' 335' ' ' ARG . 6.6 ttm-85 -79.93 -44.51 20.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -1.087 . . . . 2.59 109.247 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.08 -41.92 84.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 2.54 109.106 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.289 -0.882 . . . . 3.39 109.061 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.83 -57.88 10.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.666 -0.646 . . . . 0.47 109.641 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 30.5 mm-40 -51.7 -39.19 57.9 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.818 . . . . 1.66 109.852 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.5 ttp -63.8 -52.4 60.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.213 -0.929 . . . . 0.61 110.168 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.18 -47.28 86.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.181 -0.95 . . . . 0.33 109.16 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 42.2 ttp180 -50.86 -42.42 58.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.222 -0.924 . . . . 3.28 109.588 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.82 -41.95 88.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.294 -0.879 . . . . 1.78 109.773 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.0 -47.96 82.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.899 . . . . 0.38 109.38 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -56.55 -47.74 78.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.877 . . . . 1.2 109.495 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.28 -39.8 94.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 2.12 109.729 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.95 -50.76 72.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.199 -0.938 . . . . 0.26 109.679 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.02 -44.62 96.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.354 -0.841 . . . . 0.4 109.654 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -33.94 72.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 2.09 109.482 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -65.03 -52.24 57.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.384 -0.823 . . . . 0.75 109.217 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.16 -44.36 97.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.326 -0.859 . . . . 2.19 109.22 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.85 -35.26 68.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.473 -0.767 . . . . 1.34 109.506 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.72 109.707 -179.857 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.257 0.551 . . . . 1.67 109.729 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.37 155.81 16.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.219 -0.925 . . . . 0.61 109.434 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.12 -164.67 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.345 -0.847 . . . . 0.56 109.571 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.1 p -152.02 147.56 26.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.252 -0.905 . . . . 0.43 109.157 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.14 133.82 35.71 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.35 110.232 -178.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.14 129.4 34.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.484 -0.76 . . . . 1.37 109.098 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.08 119.04 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.515 -0.74 . . . . 0.48 109.207 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.18 152.07 39.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 2.08 110.223 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.48 140.04 2.44 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.335 -1.106 . . . . 0.4 110.335 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.486 ' HG3' HH11 ' D' ' 335' ' ' ARG . 6.6 ttm-85 -79.84 -44.54 20.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 2.64 109.215 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.1 -41.88 84.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.303 -0.873 . . . . 2.22 109.038 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.51 -43.5 98.67 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.293 -0.879 . . . . 2.74 108.993 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.68 -57.94 9.9 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.404 0.621 . . . . 0.43 109.665 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 30.5 mm-40 -51.66 -39.38 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 1.69 109.798 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.57 -52.52 60.67 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.252 -0.905 . . . . 0.43 110.182 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.07 -47.35 86.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.27 109.151 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 42.2 ttp180 -50.87 -42.45 58.92 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.289 -0.882 . . . . 2.45 109.548 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.88 -41.82 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 1.75 109.706 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.971 . . . . 0.31 109.325 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.41 -47.76 78.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.22 109.534 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.33 -39.91 94.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.73 109.745 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.76 -50.84 72.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.198 -0.939 . . . . 0.28 109.712 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.99 -44.59 96.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.387 -0.82 . . . . 0.31 109.65 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.67 -33.96 72.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.147 -0.971 . . . . 1.91 109.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' C' ' 350' ' ' LEU . 2.4 tt -64.89 -52.35 57.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 0.43 109.248 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.2 -44.29 97.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.263 -0.898 . . . . 1.57 109.225 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.84 -35.33 68.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.542 -0.724 . . . . 1.44 109.51 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.76 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.64 109.751 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 1.21 109.69 -179.817 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.603 -0.518 . . . . 1.7 109.603 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -94.01 155.11 17.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.391 -0.818 . . . . 0.61 109.517 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.504 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 88.1 m-85 -136.59 -170.0 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.742 . . . . 0.58 109.162 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.65 150.42 30.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.285 -0.885 . . . . 0.42 108.921 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -145.85 136.79 24.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.832 . . . . 0.36 109.752 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 26.3 tp60 -84.68 129.68 34.8 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.606 -0.887 . . . . 1.37 108.606 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.89 114.72 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.46 -0.775 . . . . 0.47 109.537 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.84 151.1 39.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.67 -0.644 . . . . 2.1 110.01 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.58 2.07 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.372 -1.091 . . . . 0.42 110.372 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.534 ' HG2' ' NH1' ' A' ' 335' ' ' ARG . 3.7 tpt180 -78.57 -46.76 18.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.417 -1.049 . . . . 2.68 108.974 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.31 -43.85 83.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.187 -0.945 . . . . 2.22 108.842 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.79 -42.94 99.64 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.453 -0.779 . . . . 2.77 109.087 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.57 -57.3 12.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.43 109.774 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -52.02 -37.07 52.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.312 -0.868 . . . . 1.66 109.72 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.3 -53.23 56.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.249 -0.907 . . . . 0.44 110.067 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.58 -43.96 97.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.29 109.296 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.21 -43.33 61.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.876 . . . . 2.44 109.312 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.39 -45.56 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 1.74 109.552 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.8 -44.57 96.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.23 -0.919 . . . . 0.3 109.253 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.95 -51.11 71.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.851 . . . . 1.22 109.37 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.79 -36.45 81.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 1.72 109.365 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.65 -51.16 71.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.386 -0.822 . . . . 0.27 109.565 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.16 -42.34 99.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 0.29 109.35 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.42 -40.97 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.332 -0.855 . . . . 1.91 108.963 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.43 -42.2 98.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.277 -0.889 . . . . 0.41 108.654 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.17 -46.48 88.75 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.639 -0.874 . . . . 1.56 108.639 178.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -34.69 67.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.758 -0.588 . . . . 1.43 109.42 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -26.72 67.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.66 109.244 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.362 -0.836 . . . . 1.18 109.339 179.713 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.591 -0.522 . . . . 1.61 109.591 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -93.99 155.16 17.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 0.57 109.43 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.523 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 87.8 m-85 -136.58 -169.88 2.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.473 -0.767 . . . . 0.53 109.122 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.8 p -151.68 150.58 30.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.255 -0.903 . . . . 0.38 108.952 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -145.98 136.72 24.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.36 109.83 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 26.2 tp60 -84.66 129.68 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.57 -0.9 . . . . 1.36 108.57 178.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.88 114.62 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.48 -0.762 . . . . 0.49 109.55 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.69 151.13 39.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.703 -0.623 . . . . 2.1 110.166 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 133.35 2.0 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.314 -1.114 . . . . 0.44 110.314 178.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.544 ' HG2' ' NH1' ' B' ' 335' ' ' ARG . 3.7 tpt180 -78.44 -46.64 19.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -1.04 . . . . 2.72 108.981 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.32 -44.17 83.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.135 -0.978 . . . . 2.21 108.717 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.71 -42.75 99.37 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 2.79 109.027 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.69 -57.34 12.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.592 -0.693 . . . . 0.45 109.733 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.96 -37.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 1.68 109.786 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.3 55.19 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.248 -0.908 . . . . 0.43 110.083 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.28 109.356 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.29 -43.35 61.62 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.339 -0.85 . . . . 2.52 109.294 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.55 93.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.75 109.585 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.85 -44.49 96.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.258 -0.901 . . . . 0.31 109.225 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.01 -51.09 71.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.286 -0.884 . . . . 1.21 109.367 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -61.85 -36.36 80.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.309 -0.87 . . . . 1.69 109.328 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.5 -51.53 69.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 0.27 109.61 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.07 -42.28 99.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 0.3 109.413 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.3 -40.95 83.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 1.93 109.011 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.7 -42.16 98.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.318 -0.864 . . . . 0.4 108.754 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.99 -46.35 89.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.585 -0.894 . . . . 1.59 108.585 178.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.98 67.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.725 -0.609 . . . . 1.43 109.498 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.65 109.195 179.943 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.26 0.553 . . . . 2.11 109.514 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -93.94 155.07 17.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.91 . . . . 0.64 109.454 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.502 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 88.1 m-85 -136.58 -170.13 2.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.494 -0.754 . . . . 0.49 109.175 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.54 150.67 30.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.277 -0.89 . . . . 0.47 108.925 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -145.95 136.91 24.53 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.42 109.769 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 26.7 tp60 -84.72 129.62 34.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.583 -0.895 . . . . 1.81 108.583 178.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.83 114.67 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.391 -0.818 . . . . 0.42 109.539 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.75 150.93 39.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.589 -0.694 . . . . 2.35 110.052 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.19 133.05 2.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.4 -1.08 . . . . 0.41 110.4 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.534 ' NH1' ' HG2' ' C' ' 335' ' ' ARG . 3.7 tpt180 -78.13 -46.67 20.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -1.054 . . . . 2.59 109.093 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.32 -44.18 83.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.957 . . . . 2.54 108.768 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -61.54 -42.95 99.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.418 -0.801 . . . . 3.39 109.04 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -55.5 -57.41 12.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.551 -0.718 . . . . 0.47 109.786 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -51.97 -36.96 51.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.384 -0.822 . . . . 1.66 109.717 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.34 -53.22 55.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.24 -0.913 . . . . 0.61 110.082 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.55 -43.95 97.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.33 109.329 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.18 -43.39 61.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.311 -0.868 . . . . 3.28 109.42 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.37 -45.51 93.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.78 109.608 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.287 -0.883 . . . . 0.38 109.233 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.99 -51.16 70.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.375 -0.828 . . . . 1.2 109.415 179.644 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.88 -36.31 80.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 2.12 109.387 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.56 -51.4 70.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.26 109.598 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.22 -42.27 99.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.4 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -58.26 -41.08 83.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.377 -0.827 . . . . 2.09 108.966 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.55 -42.11 98.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 0.75 108.705 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -62.06 -46.38 89.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.571 -0.9 . . . . 2.19 108.571 178.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.79 -34.71 67.91 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.726 -0.609 . . . . 1.34 109.478 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.72 109.206 179.838 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.591 -0.522 . . . . 1.67 109.591 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.99 155.06 17.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.344 -0.847 . . . . 0.61 109.422 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.495 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 87.6 m-85 -136.62 -169.93 2.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -0.755 . . . . 0.56 109.149 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.7 150.4 30.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.181 -0.949 . . . . 0.43 108.989 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.1 tp -145.88 136.85 24.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.35 109.766 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 26.2 tp60 -84.67 129.69 34.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.578 -0.897 . . . . 1.37 108.578 178.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.6 mt -123.96 114.85 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.48 109.542 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.83 151.01 39.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.612 -0.68 . . . . 2.08 110.039 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.31 2.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.409 -1.076 . . . . 0.4 110.409 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.538 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 3.7 tpt180 -78.22 -46.79 19.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.44 -1.035 . . . . 2.64 109.077 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.28 -44.0 83.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.102 -0.999 . . . . 2.22 108.822 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.445 -0.784 . . . . 2.74 109.081 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.71 -57.27 12.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.544 -0.723 . . . . 0.43 109.689 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.94 -37.21 51.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.69 109.662 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.17 57.24 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.17 -0.956 . . . . 0.43 110.089 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.54 -43.91 98.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.27 109.363 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -51.29 -43.4 61.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 2.45 109.339 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.6 92.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.319 -0.863 . . . . 1.75 109.574 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.79 -44.4 96.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.897 . . . . 0.31 109.263 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.04 -51.12 71.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.22 109.311 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -61.94 -36.21 80.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 1.73 109.342 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.31 70.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.372 -0.83 . . . . 0.28 109.598 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.06 -42.44 99.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.223 -0.923 . . . . 0.31 109.392 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.32 -40.97 83.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.345 -0.847 . . . . 1.91 108.96 179.553 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.52 -42.04 98.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.286 -0.884 . . . . 0.43 108.687 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.23 -46.5 88.57 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.594 -0.891 . . . . 1.57 108.594 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.74 67.63 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.721 -0.612 . . . . 1.44 109.413 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -26.71 66.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 0.64 109.178 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 1.21 109.329 179.756 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.284 0.564 . . . . 1.7 109.531 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.85 157.63 16.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.61 109.458 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.8 -169.78 2.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.332 -0.855 . . . . 0.58 109.4 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.98 149.71 29.92 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.571 -0.9 . . . . 0.42 108.571 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.27 133.29 24.22 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.36 109.606 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -84.23 130.67 34.81 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.607 -0.886 . . . . 1.37 108.607 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.93 117.0 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.465 -0.772 . . . . 0.47 109.418 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.32 152.38 38.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.543 -0.723 . . . . 2.1 109.959 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 134.23 1.3 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.386 -1.086 . . . . 0.42 110.386 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -80.45 -43.56 20.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.399 -1.059 . . . . 2.68 109.134 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -58.77 -42.95 90.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.154 -0.966 . . . . 2.22 108.911 179.462 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.18 -41.22 99.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.385 -0.822 . . . . 2.77 109.148 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -55.77 -55.72 29.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.561 -0.712 . . . . 0.43 109.73 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -51.59 -38.36 54.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.66 109.823 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.39 -51.57 67.05 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.303 -0.873 . . . . 0.44 109.971 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.1 -45.01 96.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.2 -0.937 . . . . 0.29 108.959 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.49 -42.39 61.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 2.44 109.416 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.38 -53.39 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.874 . . . . 1.74 109.631 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.91 -38.3 81.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 0.3 108.815 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.74 31.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.399 -0.813 . . . . 1.22 109.154 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.41 -31.71 72.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.39 -0.819 . . . . 1.72 109.356 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.56 -54.09 51.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.27 109.915 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.0 -44.83 96.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.29 109.253 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -58.57 -34.76 71.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.91 108.993 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -64.19 -50.5 67.85 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.968 -0.753 . . . . 0.41 108.968 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.687 -0.857 . . . . 1.56 108.687 179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.47 -32.08 64.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.205 -0.665 . . . . 1.43 109.205 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.89 83.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.38 -0.825 . . . . 0.66 109.569 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.287 -0.883 . . . . 1.18 109.344 179.868 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.319 0.581 . . . . 1.61 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -92.82 157.59 16.32 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.239 -0.913 . . . . 0.57 109.434 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.82 -169.85 2.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.53 109.319 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.92 149.92 30.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.579 -0.897 . . . . 0.38 108.579 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -143.37 133.32 24.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.358 -0.839 . . . . 0.36 109.594 -178.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.17 130.59 34.83 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.641 -0.874 . . . . 1.36 108.641 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.85 117.0 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.427 -0.796 . . . . 0.49 109.429 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.31 152.31 38.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.678 -0.639 . . . . 2.1 109.931 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.37 134.49 1.35 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.362 -1.095 . . . . 0.44 110.362 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.67 -43.6 20.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.477 -1.014 . . . . 2.72 109.035 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.68 -43.02 89.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.233 -0.917 . . . . 2.21 108.944 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.19 -41.12 99.14 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.345 -0.847 . . . . 2.79 109.133 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -55.84 -55.59 30.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.454 -0.779 . . . . 0.45 109.769 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -51.62 -38.49 54.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.68 109.729 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -62.26 -51.67 66.8 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.227 -0.921 . . . . 0.43 110.052 -179.408 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.08 -44.88 96.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.108 -0.995 . . . . 0.28 109.007 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -51.48 -42.61 61.76 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.201 -0.937 . . . . 2.52 109.447 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.1 -53.41 58.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.872 . . . . 1.75 109.748 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.86 -38.47 82.23 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.31 108.821 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.68 31.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 1.21 109.118 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -31.78 73.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.827 . . . . 1.69 109.361 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.67 -53.97 52.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 0.27 109.83 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.0 -44.86 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.3 109.226 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.54 -34.75 71.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.901 . . . . 1.93 108.942 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -64.1 -50.46 68.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.49 -0.756 . . . . 0.4 109.001 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.29 -46.8 88.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.646 -0.872 . . . . 1.59 108.646 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.1 64.58 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.621 -0.674 . . . . 1.43 109.187 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 0.65 109.638 179.958 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.311 0.577 . . . . 2.11 109.536 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -92.92 157.62 16.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.64 109.505 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.78 -169.78 2.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.435 -0.791 . . . . 0.49 109.354 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -150.95 149.75 29.99 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.552 -0.907 . . . . 0.47 108.552 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.22 133.27 24.28 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.42 109.657 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.25 130.55 34.81 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.576 -0.898 . . . . 1.81 108.576 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -122.8 116.93 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.501 -0.75 . . . . 0.42 109.409 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.31 152.34 38.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.665 . . . . 2.35 109.949 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 134.25 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.289 -1.124 . . . . 0.41 110.289 179.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -80.46 -43.74 20.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -1.02 . . . . 2.59 109.114 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -58.72 -42.81 89.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.214 -0.929 . . . . 2.54 108.93 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.352 -0.843 . . . . 3.39 109.094 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -55.74 -55.74 28.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.437 -0.79 . . . . 0.47 109.747 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.54 -38.52 54.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.66 109.784 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.24 -51.73 66.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.368 -0.833 . . . . 0.61 109.992 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -44.83 96.85 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.33 109.091 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.51 -42.42 61.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 3.28 109.442 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.33 -53.36 58.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.78 109.738 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.97 -38.21 81.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.197 -0.939 . . . . 0.38 108.917 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -58.92 -55.74 31.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.317 -0.864 . . . . 1.2 109.106 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.43 -31.72 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.399 -0.813 . . . . 2.12 109.36 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -54.09 50.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.26 109.882 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.05 -44.75 96.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.4 109.232 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -58.63 -34.64 71.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 2.09 109.007 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -64.16 -50.41 68.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.45 -0.781 . . . . 0.75 108.936 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.43 -46.65 89.28 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.647 -0.872 . . . . 2.19 108.647 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.57 -31.96 64.73 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.627 -0.671 . . . . 1.34 109.212 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.396 -0.815 . . . . 0.72 109.569 179.998 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.281 0.562 . . . . 1.67 109.53 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -92.78 157.55 16.36 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -0.866 . . . . 0.61 109.536 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.68 -169.6 2.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.383 -0.823 . . . . 0.56 109.365 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.5 p -151.07 149.82 29.97 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.459 -0.941 . . . . 0.43 108.459 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -143.36 133.3 24.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.334 -0.854 . . . . 0.35 109.611 -178.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.3 130.67 34.79 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.634 -0.876 . . . . 1.37 108.634 179.054 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.0 mt -122.94 116.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.47 -0.769 . . . . 0.48 109.419 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.2 152.43 38.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.57 -0.706 . . . . 2.08 109.969 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.24 134.46 1.31 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.297 -1.121 . . . . 0.4 110.297 179.338 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.64 -43.56 20.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -1.008 . . . . 2.64 109.094 179.51 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.75 -43.0 90.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.276 -0.89 . . . . 2.22 108.866 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -63.23 -41.2 99.06 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.427 -0.796 . . . . 2.74 109.085 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -55.68 -55.65 29.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.436 -0.79 . . . . 0.43 109.829 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -51.63 -38.46 54.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 1.69 109.782 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.33 -51.62 66.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.307 -0.87 . . . . 0.43 109.941 -179.362 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.06 -44.85 96.77 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.169 -0.957 . . . . 0.27 109.027 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.61 -42.42 61.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.32 -0.862 . . . . 2.45 109.414 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.29 -53.38 58.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.844 . . . . 1.75 109.693 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.98 -38.29 82.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.31 108.819 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.01 -55.63 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.818 . . . . 1.22 109.095 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.38 -31.86 73.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.73 109.373 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.63 -53.89 53.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.28 109.916 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.99 -44.91 96.72 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.216 -0.928 . . . . 0.31 109.247 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -58.52 -34.79 71.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 1.91 108.947 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -64.01 -50.59 67.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.472 -0.767 . . . . 0.43 109.047 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -60.28 -46.74 88.77 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.6 -0.889 . . . . 1.57 108.6 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.07 64.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.595 -0.69 . . . . 1.44 109.228 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.99 83.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.886 . . . . 0.64 109.54 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.21 109.372 179.895 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.258 0.552 . . . . 1.7 109.562 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.11 159.39 15.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 0.61 109.732 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.39 -168.94 2.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.438 -0.789 . . . . 0.58 109.402 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.73 146.96 26.14 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.138 -0.976 . . . . 0.42 109.105 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -141.01 137.11 32.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.352 -0.842 . . . . 0.36 109.894 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.49 132.74 33.92 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.056 -0.72 . . . . 1.37 109.056 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.52 114.44 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.437 -0.789 . . . . 0.47 108.982 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.18 146.64 43.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.524 -0.735 . . . . 2.1 109.812 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.56 139.73 8.7 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.862 -1.295 . . . . 0.42 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.64 -52.73 6.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -1.109 . . . . 2.68 109.477 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.04 -35.56 71.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.375 -0.828 . . . . 2.22 109.365 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.52 -40.88 96.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.366 -0.834 . . . . 2.77 109.369 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.93 -53.54 55.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.587 -0.695 . . . . 0.43 109.922 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.87 62.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 1.66 109.997 -179.581 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.32 -52.28 64.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.266 -0.897 . . . . 0.44 109.992 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.52 -43.8 98.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.29 108.812 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.2 OUTLIER -51.73 -40.9 61.03 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.408 -0.807 . . . . 2.44 109.289 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.42 -52.94 63.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 1.74 109.695 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.11 -38.45 83.02 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.128 -0.983 . . . . 0.3 108.529 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.3 -55.18 38.34 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.441 -0.787 . . . . 1.22 109.188 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.13 -32.21 73.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 1.72 109.348 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.66 -51.66 68.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.27 109.611 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.426 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.3 mt -61.57 -43.55 98.66 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 0.29 109.493 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.41 -36.02 77.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 1.91 109.391 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.45 -51.96 60.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.41 109.2 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.466 ' HZ3' ' HB2' ' B' ' 347' ' ' ALA . 3.1 ttmp? -61.74 -44.69 96.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 1.56 109.08 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -57.99 -34.52 70.07 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.619 -0.675 . . . . 1.43 109.574 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.48 74.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.66 109.983 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.219 -0.926 . . . . 1.18 109.735 -179.773 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.246 0.546 . . . . 1.61 109.543 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.06 159.48 15.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.271 -0.893 . . . . 0.57 109.785 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.43 -168.94 2.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.403 -0.811 . . . . 0.53 109.361 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.7 147.05 26.24 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.38 109.059 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -141.14 137.07 32.48 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.38 -0.825 . . . . 0.36 109.858 -178.545 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.58 132.81 33.93 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.974 -0.75 . . . . 1.36 108.974 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.53 114.4 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.455 -0.778 . . . . 0.49 108.991 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.14 146.72 43.27 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.592 -0.693 . . . . 2.1 109.893 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.58 139.69 8.68 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.883 -1.287 . . . . 0.44 109.883 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -82.67 -52.71 6.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -1.076 . . . . 2.72 109.461 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.17 -35.46 71.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 2.21 109.349 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.404 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.5 tpp180 -64.64 -40.78 96.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.321 -0.862 . . . . 2.79 109.365 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -55.92 -53.6 54.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.606 -0.684 . . . . 0.45 109.899 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.54 -36.75 62.15 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.328 -0.857 . . . . 1.68 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -52.23 64.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.199 -0.938 . . . . 0.43 109.947 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.79 98.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.28 108.799 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.597 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.87 60.91 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.376 -0.828 . . . . 2.52 109.373 179.666 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -52.97 62.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.3 -0.875 . . . . 1.75 109.683 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -59.98 -38.57 82.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.132 -0.98 . . . . 0.31 108.572 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.19 -55.21 37.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.536 -0.727 . . . . 1.21 109.221 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.19 -32.12 73.43 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.314 -0.866 . . . . 1.69 109.283 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.69 -51.66 68.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.363 -0.836 . . . . 0.27 109.547 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.433 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.55 -43.68 98.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.361 -0.837 . . . . 0.3 109.466 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.27 -36.04 76.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.26 -0.9 . . . . 1.93 109.416 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.5 -51.91 60.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.4 109.228 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.73 -44.71 96.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 1.59 109.084 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.96 -34.54 70.03 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.646 -0.659 . . . . 1.43 109.549 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.192 -0.942 . . . . 0.65 109.927 -179.562 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.552 -0.536 . . . . 2.11 109.552 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -93.99 159.43 15.17 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.278 -0.889 . . . . 0.64 109.737 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.43 -168.98 2.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.354 -0.841 . . . . 0.49 109.354 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.65 147.04 26.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.251 -0.905 . . . . 0.47 109.069 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.18 137.07 32.4 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.401 -0.812 . . . . 0.42 109.855 -178.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.53 132.72 33.94 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.031 -0.729 . . . . 1.81 109.031 179.309 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 114.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.523 -0.736 . . . . 0.42 109.049 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.11 146.7 43.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.551 -0.718 . . . . 2.35 109.885 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 139.69 8.64 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.931 -1.268 . . . . 0.41 109.931 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.66 -52.71 6.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.327 -1.102 . . . . 2.59 109.512 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.07 -35.55 71.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.54 109.416 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.426 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.5 tpp180 -64.54 -40.81 96.28 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.301 -0.874 . . . . 3.39 109.385 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.96 -53.59 55.08 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.506 -0.746 . . . . 0.47 109.864 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.5 -36.79 62.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 1.66 110.01 -179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.47 -52.16 64.62 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.209 -0.932 . . . . 0.61 109.956 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.86 98.09 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.33 108.825 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.603 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.6 -40.96 60.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.347 -0.846 . . . . 3.28 109.382 179.598 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.35 -52.95 63.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 1.78 109.702 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.18 -38.44 83.26 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.173 -0.954 . . . . 0.38 108.502 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.08 -55.35 36.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.521 -0.737 . . . . 1.2 109.257 179.354 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.05 -32.19 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.346 -0.846 . . . . 2.12 109.347 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.73 -51.69 68.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.26 109.515 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.0 mt -61.49 -43.72 98.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.384 -0.822 . . . . 0.4 109.432 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.33 -35.98 76.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.297 -0.877 . . . . 2.09 109.383 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.47 -52.03 60.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.373 -0.829 . . . . 0.75 109.207 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.66 -44.7 96.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.343 -0.848 . . . . 2.19 109.11 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -58.03 -34.47 70.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.596 -0.69 . . . . 1.34 109.554 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.72 109.984 -179.652 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.447 -0.575 . . . . 1.67 109.447 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -94.03 159.38 15.19 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.61 109.738 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.35 -168.97 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.458 -0.776 . . . . 0.56 109.441 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.71 147.02 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.134 -0.979 . . . . 0.43 108.997 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.2 tp -141.1 137.05 32.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.356 -0.84 . . . . 0.35 109.833 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.51 132.74 33.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.492 -0.755 . . . . 1.37 109.073 179.169 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.5 114.33 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.43 -0.794 . . . . 0.48 109.025 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.21 146.81 43.06 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.576 -0.702 . . . . 2.08 109.831 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.54 139.72 8.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.914 -1.274 . . . . 0.4 109.914 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -82.72 -52.68 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -1.069 . . . . 2.64 109.396 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.21 -35.43 71.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.38 -0.825 . . . . 2.22 109.356 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.433 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.5 tpp180 -64.66 -40.77 96.02 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.354 -0.841 . . . . 2.74 109.345 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.95 -53.56 55.39 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.656 -0.653 . . . . 0.43 109.912 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.77 62.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.373 -0.829 . . . . 1.69 110.018 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -62.46 -52.29 64.09 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.146 -0.971 . . . . 0.43 109.868 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -43.77 98.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.13 -0.981 . . . . 0.27 108.816 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.89 60.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.4 -0.812 . . . . 2.45 109.362 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.39 -53.0 62.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.208 -0.932 . . . . 1.75 109.712 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.97 -38.56 82.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.14 -0.975 . . . . 0.31 108.598 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.21 -55.2 38.07 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.483 -0.761 . . . . 1.22 109.22 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -63.04 -32.31 73.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.479 -0.763 . . . . 1.73 109.336 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.6 -51.69 68.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.28 109.575 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.404 HD22 ' NH1' ' B' ' 337' ' ' ARG . 52.4 mt -61.44 -43.73 98.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.389 -0.819 . . . . 0.31 109.5 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.3 -35.95 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 1.91 109.491 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.49 -51.99 60.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.43 109.197 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HZ3' ' HB2' ' C' ' 347' ' ' ALA . 3.1 ttmp? -61.72 -44.75 96.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.372 -0.83 . . . . 1.57 109.077 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.94 -34.51 69.96 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.549 -0.719 . . . . 1.44 109.615 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.44 74.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.64 109.98 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.061 -1.024 . . . . 1.21 109.681 -179.658 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.567 -0.531 . . . . 1.7 109.567 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.38 15.7 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.27 -0.894 . . . . 0.61 109.566 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -136.73 -169.37 2.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.831 . . . . 0.58 109.59 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.0 146.21 26.07 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.53 -0.915 . . . . 0.42 108.53 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.85 136.85 32.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 0.36 109.696 -178.523 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.42 132.04 34.29 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.37 108.57 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.03 114.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.398 -0.814 . . . . 0.47 109.418 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.97 143.13 43.78 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.51 -0.744 . . . . 2.1 109.768 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 140.86 9.48 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 110.154 -1.178 . . . . 0.42 110.154 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -85.17 -50.4 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 2.68 109.378 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.84 -39.29 71.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 2.22 109.191 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.476 -0.765 . . . . 2.77 109.571 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -58.05 9.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.548 -0.72 . . . . 0.43 110.208 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.493 ' CD ' ' H ' ' A' ' 339' ' ' GLU . 4.3 mp0 -51.26 -36.55 42.62 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.033 -1.042 . . . . 1.66 109.897 -179.637 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.04 58.38 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.185 -0.947 . . . . 0.44 110.163 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -43.13 99.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.29 108.905 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.76 -42.63 62.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.253 -0.904 . . . . 2.44 109.4 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.49 -54.46 46.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.312 -0.868 . . . . 1.74 110.018 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.12 -38.17 82.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.215 -0.928 . . . . 0.3 108.658 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.59 -53.7 55.06 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.52 -0.737 . . . . 1.22 109.546 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -63.05 -34.34 77.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 1.72 109.807 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.71 -50.55 73.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.27 110.031 -179.531 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.14 99.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.29 109.475 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.86 -35.7 73.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.91 109.013 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.7 tt -63.42 -48.07 79.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.415 -0.803 . . . . 0.41 109.08 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 15.4 ttmm -60.64 -39.65 89.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.247 -0.908 . . . . 1.56 108.672 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.08 -47.41 81.08 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.322 -0.621 . . . . 1.43 109.322 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.96 68.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -0.779 . . . . 0.66 109.424 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 1.18 109.295 179.904 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.528 -0.545 . . . . 1.61 109.528 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -93.63 158.46 15.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.209 -0.932 . . . . 0.57 109.649 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.81 -169.44 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.439 -0.788 . . . . 0.53 109.553 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.05 146.11 25.96 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.535 -0.913 . . . . 0.38 108.535 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -140.76 136.79 32.87 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.359 -0.838 . . . . 0.36 109.745 -178.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -85.35 132.1 34.29 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.541 -0.911 . . . . 1.36 108.541 179.137 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.08 114.17 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.453 -0.779 . . . . 0.49 109.336 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.12 143.23 43.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.562 -0.711 . . . . 2.1 109.77 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.89 9.45 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.165 -1.174 . . . . 0.44 110.165 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.579 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -85.04 -50.52 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.462 -1.022 . . . . 2.72 109.52 179.794 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.8 -39.24 71.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 2.21 109.213 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.32 -40.53 96.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.434 -0.791 . . . . 2.79 109.63 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.52 -57.95 9.79 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.551 -0.718 . . . . 0.45 110.229 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.3 mp0 -51.31 -36.56 43.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.029 -1.044 . . . . 1.68 109.902 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.1 ttp -63.44 -53.04 58.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.141 -0.974 . . . . 0.43 110.201 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.96 -43.18 99.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.28 108.93 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -51.69 -42.68 62.37 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.304 -0.872 . . . . 2.52 109.408 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.46 -54.44 46.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.75 110.028 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.1 -38.27 82.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.31 108.67 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.53 -53.68 55.28 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.444 -0.785 . . . . 1.21 109.528 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.412 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.23 77.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.381 -0.825 . . . . 1.69 109.755 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -50.67 73.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.229 -0.919 . . . . 0.27 109.952 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.4 -43.32 99.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.3 109.458 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.75 -35.51 72.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.93 109.083 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.551 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.7 tt -63.57 -48.02 79.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.527 -0.733 . . . . 0.4 109.067 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.75 -39.57 89.21 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.259 -0.901 . . . . 1.59 108.611 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 352' ' ' ASP . 5.8 m-20 -57.04 -47.41 81.01 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.581 -0.699 . . . . 1.43 109.307 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.65 109.356 179.893 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.264 0.554 . . . . 2.11 109.566 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -93.73 158.38 15.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.226 -0.921 . . . . 0.64 109.596 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.78 -169.4 2.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.382 -0.824 . . . . 0.49 109.503 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.06 146.17 26.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.489 -0.93 . . . . 0.47 108.489 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.75 136.8 32.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 0.42 109.751 -178.494 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.38 132.08 34.29 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.546 -0.909 . . . . 1.81 108.546 179.129 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.06 114.09 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.409 -0.807 . . . . 0.42 109.37 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.03 143.22 43.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.567 -0.708 . . . . 2.35 109.758 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.84 9.43 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.171 -1.172 . . . . 0.41 110.171 179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.4 OUTLIER -85.06 -50.47 7.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.415 -1.05 . . . . 2.59 109.474 179.799 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.77 -39.31 71.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 2.54 109.223 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.24 -40.61 96.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.406 -0.809 . . . . 3.39 109.558 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -57.98 9.64 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.542 -0.724 . . . . 0.47 110.257 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' C' ' 339' ' ' GLU . 4.3 mp0 -51.35 -36.48 43.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.061 -1.024 . . . . 1.66 109.846 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.1 57.48 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.151 -0.968 . . . . 0.61 110.157 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.98 -43.11 99.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.118 -0.989 . . . . 0.33 108.884 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.77 -42.66 62.57 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 3.28 109.303 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.54 -54.4 46.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 1.78 110.011 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.12 -38.18 82.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.952 . . . . 0.38 108.701 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.75 54.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.468 -0.77 . . . . 1.2 109.477 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.424 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.14 76.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.415 -0.803 . . . . 2.12 109.795 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -50.58 73.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.367 -0.833 . . . . 0.26 109.958 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.188 -0.945 . . . . 0.4 109.459 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -35.61 73.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 2.09 109.051 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -63.51 -48.07 79.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.75 109.047 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.67 -39.58 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.564 -0.902 . . . . 2.19 108.564 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.11 -47.37 81.23 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.446 0.641 . . . . 1.34 109.278 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.397 -0.815 . . . . 0.72 109.393 179.861 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.536 -0.542 . . . . 1.67 109.536 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.36 15.71 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.276 -0.89 . . . . 0.61 109.525 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.78 -169.47 2.48 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.373 -0.83 . . . . 0.56 109.63 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -150.99 146.27 26.11 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.437 -0.949 . . . . 0.43 108.437 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.0 tp -140.79 136.74 32.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 0.35 109.796 -178.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.46 132.0 34.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.592 -0.892 . . . . 1.37 108.592 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.0 114.14 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.49 -0.756 . . . . 0.48 109.37 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.96 143.19 43.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.669 -0.645 . . . . 2.08 109.779 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 140.89 9.47 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.118 -1.193 . . . . 0.4 110.118 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -85.13 -50.6 7.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.394 -1.062 . . . . 2.64 109.378 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -39.25 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.391 -0.818 . . . . 2.22 109.256 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.3 -40.58 96.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.463 -0.773 . . . . 2.74 109.553 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.43 -58.07 9.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.562 -0.711 . . . . 0.43 110.178 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' D' ' 339' ' ' GLU . 4.4 mp0 -51.23 -36.59 42.47 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.98 -1.075 . . . . 1.69 109.866 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.43 -53.13 57.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.272 -0.893 . . . . 0.43 110.19 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.94 -43.17 99.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.974 . . . . 0.27 108.927 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.73 -42.6 62.42 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.333 -0.854 . . . . 2.45 109.411 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.59 -54.38 47.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.75 109.964 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.08 -38.27 82.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.107 -0.996 . . . . 0.31 108.7 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.72 54.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.48 -0.762 . . . . 1.22 109.583 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -63.06 -34.22 77.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 1.73 109.788 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.83 -50.57 73.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 0.28 109.94 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.52 -43.15 99.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.186 -0.946 . . . . 0.31 109.443 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -35.5 73.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.91 108.96 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.539 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.7 tt -63.62 -47.94 79.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.441 -0.787 . . . . 0.43 108.934 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.431 ' HG3' ' HZ3' ' D' ' 351' ' ' LYS . 15.4 ttmm -60.74 -39.69 89.62 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.224 -0.922 . . . . 1.57 108.651 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' D' ' 352' ' ' ASP . 5.7 m-20 -57.02 -47.38 81.02 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.655 -0.653 . . . . 1.44 109.315 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.93 68.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.408 -0.808 . . . . 0.64 109.375 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 1.21 109.284 179.92 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.418 -0.586 . . . . 1.7 109.418 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -95.98 152.07 18.85 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 0.61 109.795 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.83 135.93 30.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.332 -0.855 . . . . 0.58 108.877 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.04 160.95 14.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.313 -0.867 . . . . 0.42 109.549 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -149.24 130.68 14.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.855 . . . . 0.36 109.598 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.99 130.12 34.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.545 -0.909 . . . . 1.37 108.545 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 56.9 mt -123.54 109.39 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.617 -0.677 . . . . 0.47 109.429 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.64 152.27 39.23 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 2.1 109.342 179.362 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.4 130.16 5.79 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.943 -1.263 . . . . 0.42 109.943 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.15 -55.67 5.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -1.037 . . . . 2.68 109.627 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.37 -38.61 74.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.22 109.611 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.9 98.13 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.259 -0.901 . . . . 2.77 109.688 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -53.93 -55.77 23.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.811 . . . . 0.43 110.012 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -51.04 -38.4 51.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.66 109.936 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.3 -52.22 62.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.189 -0.944 . . . . 0.44 110.257 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.097 -1.002 . . . . 0.29 109.321 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.0 -43.25 60.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.923 . . . . 2.44 109.303 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.84 -45.64 93.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 1.74 109.573 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.75 -47.02 87.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.262 -0.899 . . . . 0.3 109.314 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.81 -48.78 78.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 1.22 109.156 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.74 85.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.382 -0.824 . . . . 1.72 109.436 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.98 -52.75 64.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.27 109.719 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.81 -44.22 97.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.177 -0.952 . . . . 0.29 109.253 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -58.06 -36.91 73.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 1.91 108.902 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.7 -41.95 98.04 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.721 -0.844 . . . . 0.41 108.721 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.43 -48.45 77.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.863 -0.791 . . . . 1.56 108.863 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.51 -32.44 58.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.312 0.577 . . . . 1.43 109.615 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.77 34.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -0.909 . . . . 0.66 109.504 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.579 ' OE1' HD21 ' B' ' 350' ' ' LEU . 68.6 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.18 109.653 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.503 -0.555 . . . . 1.61 109.503 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.96 152.0 18.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.331 -0.856 . . . . 0.57 109.847 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -141.79 135.8 30.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.315 -0.866 . . . . 0.53 108.935 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -96.92 161.01 14.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.336 -0.852 . . . . 0.38 109.591 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -149.12 130.65 14.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.328 -0.858 . . . . 0.36 109.676 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -85.08 130.22 34.66 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.519 -0.919 . . . . 1.36 108.519 179.159 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.52 109.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.591 -0.693 . . . . 0.49 109.456 -179.222 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.66 152.26 39.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 2.1 109.266 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.39 130.04 5.75 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.93 -1.268 . . . . 0.44 109.93 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.08 -55.73 5.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -1.109 . . . . 2.72 109.619 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -57.41 -38.51 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.616 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.75 -41.86 98.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.372 -0.83 . . . . 2.79 109.716 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -53.99 -55.79 23.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.36 -0.838 . . . . 0.45 110.021 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.86 -38.51 49.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.321 -0.862 . . . . 1.68 109.952 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.28 -52.19 63.02 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 0.43 110.272 -179.295 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.59 -44.87 95.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.076 -1.015 . . . . 0.28 109.296 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.94 -43.24 60.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 2.52 109.305 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.93 -45.54 94.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 1.75 109.535 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.84 -46.94 87.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.31 109.312 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.76 -48.92 78.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 1.21 109.156 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.54 -37.79 85.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 1.69 109.449 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.0 -52.75 64.44 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.393 -0.817 . . . . 0.27 109.692 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.77 -44.3 97.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.3 109.197 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.03 -36.95 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.929 . . . . 1.93 108.905 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.579 HD21 ' OE1' ' A' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.4 108.823 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.46 77.81 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.878 0.846 . . . . 1.59 108.88 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.5 -32.49 58.05 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.743 -0.598 . . . . 1.43 109.682 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.65 109.585 -179.969 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.462 -0.57 . . . . 2.11 109.462 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.96 152.08 18.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.209 -0.932 . . . . 0.64 109.789 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -141.84 135.88 30.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.382 -0.824 . . . . 0.49 108.85 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.02 160.92 14.07 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.383 -0.823 . . . . 0.47 109.577 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.7 tp -149.09 130.77 15.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.42 109.654 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -85.04 130.06 34.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.81 108.525 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -123.54 109.45 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 CA-C-O 121.442 0.639 . . . . 0.42 109.394 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 2.35 109.267 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.46 130.14 5.8 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.837 -1.305 . . . . 0.41 109.837 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.17 -55.69 5.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.329 -1.101 . . . . 2.59 109.593 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.43 -38.55 74.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 2.54 109.584 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.92 98.14 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.322 -0.861 . . . . 3.39 109.661 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -54.02 -55.83 23.66 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.471 -0.768 . . . . 0.47 109.949 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.91 -38.4 49.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 1.66 110.002 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.34 -52.2 62.78 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.237 -0.914 . . . . 0.61 110.19 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.48 -45.0 95.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.33 109.336 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.92 -43.29 59.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.223 -0.923 . . . . 3.28 109.285 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.86 -45.58 93.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 1.78 109.597 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.8 -46.98 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.938 . . . . 0.38 109.292 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.76 -48.87 78.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 1.2 109.15 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.61 -37.72 84.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 2.12 109.423 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.99 -52.82 64.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.26 109.701 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.7 -44.2 97.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.208 -0.932 . . . . 0.4 109.283 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.13 -36.9 73.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.196 -0.94 . . . . 2.09 108.867 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.546 HD21 ' OE1' ' D' ' 354' ' ' GLN . 4.7 tp -63.63 -42.04 98.19 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.799 -0.815 . . . . 0.75 108.799 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.44 -48.39 77.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.836 0.827 . . . . 2.19 108.828 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -54.52 -32.52 58.26 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.311 0.577 . . . . 1.34 109.65 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.72 109.573 -179.952 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.478 -0.564 . . . . 1.67 109.478 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -96.06 152.14 18.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.257 -0.902 . . . . 0.61 109.751 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.89 135.86 29.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -0.805 . . . . 0.56 108.896 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -96.99 161.09 13.99 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.347 -0.846 . . . . 0.43 109.552 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -149.25 130.65 14.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.35 109.68 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.97 130.11 34.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.554 -0.906 . . . . 1.37 108.554 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.0 mt -123.54 109.34 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 CA-C-O 121.451 0.643 . . . . 0.48 109.478 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -74.57 152.29 39.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.396 -0.815 . . . . 2.08 109.351 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.41 130.06 5.76 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.913 -1.275 . . . . 0.4 109.913 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.03 -55.77 5.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 2.64 109.62 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.34 -38.54 74.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 2.22 109.631 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.74 -41.77 98.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.376 -0.827 . . . . 2.74 109.716 -179.662 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.04 -55.77 24.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.775 . . . . 0.43 109.997 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.97 -38.4 50.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.841 . . . . 1.69 109.952 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.41 -52.21 62.54 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.225 -0.922 . . . . 0.43 110.165 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.92 95.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.965 . . . . 0.27 109.346 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.97 -43.16 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.236 -0.915 . . . . 2.45 109.378 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.88 -45.64 93.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.75 109.53 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.75 -46.97 87.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.31 109.367 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.82 -48.8 78.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.12 -0.987 . . . . 1.22 109.185 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.75 85.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 1.73 109.39 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.97 -52.84 64.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.28 109.678 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.8 -44.09 97.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.31 109.263 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.25 -36.88 73.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 1.91 108.852 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.67 -41.96 98.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.377 -0.827 . . . . 0.43 108.809 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.43 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.876 0.846 . . . . 1.57 108.869 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.53 -32.59 58.47 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.768 -0.582 . . . . 1.44 109.521 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.59 36.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.331 -0.856 . . . . 0.64 109.572 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.546 ' OE1' HD21 ' C' ' 350' ' ' LEU . 68.6 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.374 -0.829 . . . . 1.21 109.647 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.41 -0.589 . . . . 1.7 109.41 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.484 -0.76 . . . . 0.61 109.697 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.82 -170.75 2.76 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.404 -0.81 . . . . 0.58 109.135 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.76 149.38 28.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 0.42 108.558 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.5 tp -142.6 131.99 23.58 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.282 -0.886 . . . . 0.36 109.911 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.13 128.13 34.53 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.719 -0.845 . . . . 1.37 108.719 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.06 117.48 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.469 -0.769 . . . . 0.47 109.658 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.65 149.71 36.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.501 -0.749 . . . . 2.1 109.769 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.22 138.42 6.13 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.538 -1.025 . . . . 0.42 110.538 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' A' ' 335' ' ' ARG . 7.7 ttm-85 -83.62 -51.37 7.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.435 -1.038 . . . . 2.68 109.171 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -58.24 -38.95 77.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.413 -0.805 . . . . 2.22 109.151 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.93 -45.96 86.86 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.562 -0.903 . . . . 2.77 108.562 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.87 -50.41 70.71 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.396 0.617 . . . . 0.43 109.562 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.85 -38.22 61.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 1.66 109.889 -179.703 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.18 -50.08 73.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.249 -0.907 . . . . 0.44 110.087 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.211 -0.93 . . . . 0.29 109.189 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -52.19 -43.42 64.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 2.44 109.431 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.05 -53.53 56.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.25 -0.906 . . . . 1.74 109.764 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.22 -37.12 79.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.138 -0.976 . . . . 0.3 108.817 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.17 -55.9 29.09 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.337 -0.852 . . . . 1.22 109.189 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.03 -31.51 72.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.349 -0.845 . . . . 1.72 109.717 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -54.81 42.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.27 109.942 -179.515 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.99 -44.13 97.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.29 109.429 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.08 -37.18 76.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 1.91 109.538 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -48.9 75.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.907 . . . . 0.41 109.443 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -62.58 -45.41 93.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.329 -0.857 . . . . 1.56 109.028 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.44 -28.8 60.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.385 -0.822 . . . . 1.43 109.216 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.8 80.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.66 110.116 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 1.18 109.755 -179.681 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.442 -0.577 . . . . 1.61 109.442 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.84 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.392 -0.817 . . . . 0.57 109.651 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.85 -170.76 2.77 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.485 -0.76 . . . . 0.53 109.18 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.81 149.19 28.73 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.589 -0.893 . . . . 0.38 108.589 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.38 132.11 24.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.237 -0.914 . . . . 0.36 109.927 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.14 128.02 34.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.703 -0.851 . . . . 1.36 108.703 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.97 117.41 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.494 -0.754 . . . . 0.49 109.687 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.49 149.72 36.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 2.1 109.847 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.15 138.36 6.07 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.533 -1.027 . . . . 0.44 110.533 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 335' ' ' ARG . 7.7 ttm-85 -83.52 -51.44 7.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.483 -1.01 . . . . 2.72 109.096 179.544 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.17 -38.94 77.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.325 -0.859 . . . . 2.21 109.236 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.0 -45.87 87.03 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.488 -0.93 . . . . 2.79 108.488 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.89 -50.52 70.43 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.581 -0.699 . . . . 0.45 109.511 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.76 -38.2 60.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.68 109.971 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -62.3 -49.92 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.966 . . . . 0.43 110.088 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.15 -41.42 96.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.208 -0.932 . . . . 0.28 109.238 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.17 -43.42 64.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 2.52 109.49 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.01 -53.54 56.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 1.75 109.83 -179.724 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.25 -37.05 79.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 0.31 108.782 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.21 -55.81 30.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.419 -0.801 . . . . 1.21 109.203 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.04 -31.72 73.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.404 -0.81 . . . . 1.69 109.755 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.85 -54.96 41.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 0.27 109.974 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 0.3 109.37 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.04 -37.15 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.93 109.543 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.44 -48.95 75.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.816 . . . . 0.4 109.488 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.32 93.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.349 -0.844 . . . . 1.59 109.076 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.87 60.54 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.512 -0.743 . . . . 1.43 109.211 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.803 . . . . 0.65 110.046 -179.543 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.423 -0.584 . . . . 2.11 109.423 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.93 149.51 23.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.45 -0.781 . . . . 0.64 109.668 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -136.87 -170.82 2.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.443 -0.786 . . . . 0.49 109.119 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.72 149.16 28.75 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.649 -0.871 . . . . 0.47 108.649 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.3 tp -142.4 132.14 24.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.296 -0.877 . . . . 0.42 109.896 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.19 128.13 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.707 -0.849 . . . . 1.81 108.707 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -124.05 117.29 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.455 -0.778 . . . . 0.42 109.727 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.46 149.61 36.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.574 -0.704 . . . . 2.35 109.827 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.28 138.44 6.17 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.511 -1.036 . . . . 0.41 110.511 178.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.469 HH11 ' HG3' ' C' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.47 7.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -1.015 . . . . 2.59 109.082 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -38.8 77.56 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.348 -0.845 . . . . 2.54 109.238 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.08 -45.97 86.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.476 -0.935 . . . . 3.39 108.476 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.89 -50.42 70.71 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.637 -0.665 . . . . 0.47 109.529 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.78 -38.15 60.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.343 -0.848 . . . . 1.66 110.031 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.25 -50.05 73.28 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.11 -0.994 . . . . 0.61 110.12 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.02 -41.48 96.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.176 -0.953 . . . . 0.33 109.218 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.24 -43.36 64.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.107 -0.996 . . . . 3.28 109.462 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.03 -53.55 56.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 1.78 109.796 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.21 -37.08 79.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.198 -0.939 . . . . 0.38 108.785 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.16 -55.86 29.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.381 -0.824 . . . . 1.2 109.18 179.424 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.15 -31.58 72.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 2.12 109.702 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.94 -54.9 41.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.26 109.985 -179.589 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.85 -44.3 97.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.4 109.423 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.0 -37.23 76.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 2.09 109.58 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.36 -48.98 75.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 0.75 109.483 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.28 93.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 2.19 109.105 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.47 -28.82 60.69 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.506 -0.747 . . . . 1.34 109.232 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.72 110.129 -179.633 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.301 0.572 . . . . 1.67 109.461 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -101.01 149.31 24.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.374 -0.829 . . . . 0.61 109.701 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.6 -170.75 2.75 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.399 -0.813 . . . . 0.56 109.155 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.79 149.2 28.76 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.936 . . . . 0.43 108.523 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.2 tp -142.37 132.24 24.29 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.348 -0.845 . . . . 0.35 109.919 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -85.23 128.07 34.54 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.702 -0.851 . . . . 1.37 108.702 179.17 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -124.09 117.35 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.453 -0.78 . . . . 0.48 109.678 -179.464 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.55 149.72 36.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.748 . . . . 2.08 109.785 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.18 138.34 6.08 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.537 -1.025 . . . . 0.4 110.537 179.059 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.48 ' HG3' HH11 ' D' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.39 7.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -1.024 . . . . 2.64 109.125 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.23 -38.95 77.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 2.22 109.146 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.97 -45.95 86.81 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.48 -0.933 . . . . 2.74 108.48 179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.84 -50.48 70.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.648 -0.658 . . . . 0.43 109.537 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.81 -38.1 60.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 1.69 109.98 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -62.35 -49.96 73.51 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.225 -0.922 . . . . 0.43 110.095 -179.339 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.96 -41.51 96.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.205 -0.934 . . . . 0.27 109.27 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.27 -43.3 64.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 2.45 109.438 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.09 -53.58 56.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 1.75 109.751 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.23 -37.0 79.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 0.31 108.868 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.2 -55.86 29.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.447 -0.783 . . . . 1.22 109.211 179.37 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.14 -31.47 72.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 1.73 109.697 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.02 -54.84 42.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.28 109.982 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.97 -44.21 97.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.882 . . . . 0.31 109.427 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.08 -37.16 76.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 1.91 109.449 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.46 -48.87 75.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.43 109.42 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.61 -45.37 93.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.312 -0.868 . . . . 1.57 109.066 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.77 60.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 1.44 109.349 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.75 80.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.301 -0.875 . . . . 0.64 110.108 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.108 -0.995 . . . . 1.21 109.7 -179.639 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.492 -0.558 . . . . 1.7 109.492 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.64 146.18 26.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.173 -0.954 . . . . 0.61 109.888 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -141.65 137.02 31.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.32 -0.862 . . . . 0.58 109.02 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.4 p -95.96 163.44 13.14 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.303 -0.873 . . . . 0.42 109.06 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 39.2 tp -150.65 133.79 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.36 110.011 -179.555 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.08 127.99 34.46 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.615 -0.883 . . . . 1.37 108.615 179.244 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.13 110.55 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.526 -0.734 . . . . 0.47 109.72 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -74.68 151.72 39.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.574 -0.704 . . . . 2.1 109.491 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.52 138.03 6.14 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.26 -1.136 . . . . 0.42 110.26 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.24 -47.11 11.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.388 -1.066 . . . . 2.68 109.378 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.59 -43.17 89.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.145 -0.972 . . . . 2.22 109.377 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.31 -41.27 96.73 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.344 -0.848 . . . . 2.77 109.567 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.71 -55.98 24.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.492 -0.755 . . . . 0.43 109.686 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.98 -42.21 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.66 109.662 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 19.0 ttp -63.39 -52.11 63.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.326 -0.859 . . . . 0.44 110.278 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.31 -48.22 82.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.29 109.077 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.54 -43.67 62.42 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.227 -0.921 . . . . 2.44 109.485 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.99 -43.95 94.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.74 110.087 -179.639 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.31 -42.47 98.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.023 . . . . 0.3 109.151 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.69 -54.21 49.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 1.22 109.567 179.682 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.496 ' HG2' ' HZ1' ' B' ' 351' ' ' LYS . 71.2 tt0 -63.6 -37.32 86.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 1.72 109.994 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.53 45.9 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.201 -0.937 . . . . 0.27 110.003 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.7 mt -61.56 -40.09 93.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.251 -0.906 . . . . 0.29 109.394 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.11 -36.42 77.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 1.91 109.406 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.31 -47.75 80.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.41 109.462 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.442 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 17.3 ttmm -62.28 -46.65 87.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 1.56 108.719 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.55 -38.07 71.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.557 -0.714 . . . . 1.43 109.164 179.55 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -25.12 65.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.66 109.613 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 1.18 109.478 179.884 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.451 -0.574 . . . . 1.61 109.451 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -98.64 146.16 26.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.263 -0.898 . . . . 0.57 109.938 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -141.65 136.75 31.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.311 -0.868 . . . . 0.53 109.126 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.0 p -95.66 163.42 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -0.875 . . . . 0.38 109.19 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -150.55 133.76 16.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.118 -0.989 . . . . 0.36 109.972 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.08 128.04 34.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.625 -0.88 . . . . 1.36 108.625 179.164 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -124.1 110.54 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.583 -0.698 . . . . 0.49 109.737 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.68 151.65 39.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.514 -0.741 . . . . 2.1 109.512 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.64 138.01 6.2 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.311 -1.115 . . . . 0.44 110.311 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -83.38 -47.04 11.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.48 -1.012 . . . . 2.72 109.356 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.49 -43.35 88.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.21 109.331 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -61.22 -41.42 96.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.302 -0.874 . . . . 2.79 109.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.52 -56.0 23.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.463 -0.773 . . . . 0.45 109.789 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.95 -42.28 62.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 1.68 109.686 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.34 -52.11 63.14 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.258 -0.901 . . . . 0.43 110.249 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.36 -48.18 82.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.28 109.053 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.61 -43.57 62.57 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.265 -0.897 . . . . 2.52 109.5 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.09 -43.94 95.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 1.75 110.048 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.18 -42.59 98.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.31 109.077 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.64 -54.29 48.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 1.21 109.589 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.442 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 71.0 tt0 -63.45 -37.49 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 1.69 109.98 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.53 45.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.199 -0.938 . . . . 0.27 110.028 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.54 -40.06 93.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.3 109.35 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.2 -36.38 77.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.884 . . . . 1.93 109.443 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.35 -47.77 80.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.857 . . . . 0.4 109.459 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.496 ' HZ1' ' HG2' ' A' ' 346' ' ' GLU . 17.3 ttmm -62.27 -46.51 88.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.59 108.833 179.588 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.65 -38.03 71.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.769 . . . . 1.43 109.136 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.65 109.58 -179.883 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.38 -0.6 . . . . 2.11 109.38 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.68 146.16 26.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.198 -0.939 . . . . 0.64 109.929 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -141.65 136.89 31.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.309 -0.869 . . . . 0.49 109.04 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -95.82 163.4 13.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.274 -0.891 . . . . 0.47 109.168 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.55 133.85 16.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.989 . . . . 0.42 109.95 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.18 127.96 34.48 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.593 -0.891 . . . . 1.81 108.593 179.19 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.08 110.61 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.539 -0.726 . . . . 0.42 109.718 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.64 151.63 39.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.594 -0.691 . . . . 2.35 109.503 179.544 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.55 137.86 6.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.295 -1.122 . . . . 0.41 110.295 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.12 -47.09 12.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -1.107 . . . . 2.59 109.47 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.57 -43.15 89.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.972 . . . . 2.54 109.366 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.32 -41.26 96.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.392 -0.818 . . . . 3.39 109.551 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.69 -55.96 24.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.47 109.705 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.92 -42.28 62.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 1.66 109.693 -179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.37 -52.14 62.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.281 -0.887 . . . . 0.61 110.256 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.35 -48.1 83.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 0.33 109.102 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.63 -43.64 62.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.28 -0.888 . . . . 3.28 109.449 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.97 -44.02 94.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 1.78 110.013 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.24 -42.51 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.014 . . . . 0.38 109.063 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.68 -54.23 49.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.298 -0.876 . . . . 1.2 109.578 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.459 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 71.0 tt0 -63.54 -37.39 87.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 2.12 110.05 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.52 46.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 0.26 110.015 -179.474 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -40.05 93.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.188 -0.945 . . . . 0.4 109.366 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.28 -36.35 77.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 2.09 109.376 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.31 -47.77 80.88 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.848 . . . . 0.75 109.485 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.467 ' HZ1' ' HG2' ' D' ' 346' ' ' GLU . 17.4 ttmm -62.3 -46.49 88.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 2.19 108.812 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.63 -38.04 71.55 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.526 -0.734 . . . . 1.34 109.192 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 0.72 109.655 -179.907 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.428 -0.582 . . . . 1.67 109.428 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.62 146.22 26.05 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.098 -1.001 . . . . 0.61 109.874 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -141.74 137.01 31.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.32 -0.862 . . . . 0.56 108.994 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -95.89 163.48 13.13 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.256 -0.903 . . . . 0.43 109.098 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.65 133.77 16.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 0.35 109.918 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.04 128.06 34.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 1.37 108.619 179.168 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -124.13 110.53 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.573 -0.705 . . . . 0.48 109.735 -179.238 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.65 151.63 39.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.553 -0.717 . . . . 2.08 109.54 179.579 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.59 138.05 6.19 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.285 -1.126 . . . . 0.4 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.31 -47.04 11.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 2.64 109.409 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.58 -43.32 89.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 2.22 109.32 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.2 -41.28 96.56 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.367 -0.833 . . . . 2.74 109.559 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.61 -56.09 22.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.457 -0.777 . . . . 0.43 109.721 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.79 -42.39 62.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 1.69 109.66 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 19.0 ttp -63.33 -52.05 63.45 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.317 -0.864 . . . . 0.43 110.308 -179.382 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.43 -48.07 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.091 -1.005 . . . . 0.27 109.07 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.62 -43.64 62.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 2.45 109.481 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.02 -43.99 94.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 1.75 110.019 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.21 -42.58 98.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.31 109.095 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -58.55 -54.38 47.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.338 -0.851 . . . . 1.22 109.59 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.467 ' HG2' ' HZ1' ' C' ' 351' ' ' LYS . 71.1 tt0 -63.44 -37.34 86.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.317 -0.864 . . . . 1.73 110.085 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.64 44.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.955 . . . . 0.28 110.041 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.45 -40.19 93.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -0.945 . . . . 0.31 109.369 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.18 -36.39 77.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.176 -0.952 . . . . 1.91 109.324 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.27 -47.76 81.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.43 109.425 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.459 ' HZ1' ' HG2' ' C' ' 346' ' ' GLU . 17.4 ttmm -62.35 -46.61 87.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 1.57 108.707 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.59 -37.97 71.37 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.484 -0.76 . . . . 1.44 109.196 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.2 65.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 0.64 109.532 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.166 -0.959 . . . . 1.21 109.408 -180.0 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.14 0.495 . . . . 1.7 109.88 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 26.0 m-85 -99.0 158.9 15.34 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.4 -0.812 . . . . 0.61 109.906 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.55 140.66 35.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.342 -0.849 . . . . 0.58 108.984 179.517 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 51.3 p -92.52 164.0 13.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.42 109.395 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.08 131.76 14.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.148 -0.97 . . . . 0.36 110.14 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.26 128.38 34.66 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.834 -0.802 . . . . 1.37 108.834 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 67.2 mt -124.1 119.76 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.513 -0.742 . . . . 0.47 109.955 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.3 152.68 36.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.516 -0.74 . . . . 2.1 109.943 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.89 138.87 1.93 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.607 -0.997 . . . . 0.42 110.607 178.841 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.05 -44.09 14.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -1.04 . . . . 2.68 109.374 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.58 -43.14 93.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.05 . . . . 2.22 109.052 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 21.5 ttm180 -62.3 -41.45 98.53 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.261 -0.899 . . . . 2.77 109.243 179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.07 -57.16 12.84 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.483 -0.761 . . . . 0.43 109.594 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.21 -35.77 50.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 1.66 109.721 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.24 -53.82 47.07 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.931 . . . . 0.44 109.926 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.2 -41.97 97.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.18 -0.95 . . . . 0.29 108.834 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -51.57 -43.79 62.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.341 -0.85 . . . . 2.44 109.141 179.447 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.92 -45.2 95.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 1.74 109.793 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.66 -44.23 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.3 109.246 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.82 -49.89 75.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.183 -0.948 . . . . 1.22 109.301 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.71 -37.87 88.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.851 . . . . 1.72 109.587 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -53.11 61.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.27 109.841 -179.801 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.46 -44.62 96.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.152 -0.968 . . . . 0.29 109.372 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.41 -35.13 73.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.206 -0.934 . . . . 1.91 109.544 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.58 -50.65 66.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.41 109.457 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.67 -46.74 86.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 1.56 108.875 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 1.2 m-20 -58.55 -43.31 89.27 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.494 -0.754 . . . . 1.43 109.436 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.62 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.66 109.773 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.146 -0.972 . . . . 1.18 109.638 -179.915 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.13 0.491 . . . . 1.61 109.911 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 26.1 m-85 -99.16 158.91 15.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.405 -0.81 . . . . 0.57 109.875 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -140.54 140.6 35.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.413 -0.805 . . . . 0.53 108.984 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 50.1 p -92.51 164.03 13.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.358 -0.839 . . . . 0.38 109.345 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.09 131.62 14.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.36 110.169 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.16 128.5 34.69 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.792 -0.818 . . . . 1.36 108.792 179.328 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.22 119.62 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 O-C-N 121.44 -0.788 . . . . 0.49 109.985 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 152.72 36.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.499 -0.751 . . . . 2.1 110.001 179.688 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.71 138.9 1.87 Allowed Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.203 -0.998 . . . . 0.44 110.702 178.822 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -84.08 -44.0 14.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.324 -1.103 . . . . 2.72 109.321 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.72 -43.06 94.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.952 -1.093 . . . . 2.21 109.072 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.48 98.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 2.79 109.248 179.622 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -55.0 -57.19 12.68 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.596 -0.69 . . . . 0.45 109.632 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.22 -35.86 50.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.68 109.639 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.09 -53.78 48.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.233 -0.917 . . . . 0.43 109.973 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.33 -41.88 97.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.11 -0.994 . . . . 0.28 108.814 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.581 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.6 OUTLIER -51.6 -43.78 62.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.104 179.489 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.02 -45.12 96.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.346 -0.846 . . . . 1.75 109.738 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.67 -44.24 97.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.31 109.281 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -57.82 -49.93 75.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 1.21 109.23 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.75 -37.91 88.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.249 -0.907 . . . . 1.69 109.552 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -52.98 63.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.27 109.88 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.62 -44.45 96.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.3 109.346 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.5 -35.12 73.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.188 -0.945 . . . . 1.93 109.489 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.64 66.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.248 -0.907 . . . . 0.4 109.436 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.58 -46.71 87.06 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.344 -0.847 . . . . 1.59 108.957 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 1.2 m-20 -58.6 -43.34 89.51 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.59 -0.694 . . . . 1.43 109.411 179.687 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 0.65 109.809 -179.75 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.136 0.493 . . . . 2.11 109.928 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.7 m-85 -99.05 158.94 15.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.379 -0.826 . . . . 0.64 109.881 179.808 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.61 35.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.49 108.981 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 51.0 p -92.55 163.9 13.64 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.299 -0.876 . . . . 0.47 109.298 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.02 131.77 15.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.211 -0.931 . . . . 0.42 110.154 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.27 128.46 34.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.399 -0.813 . . . . 1.81 108.833 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.2 119.67 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.488 -0.757 . . . . 0.42 109.95 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.17 152.74 36.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.459 -0.776 . . . . 2.35 109.937 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.75 138.76 1.86 Allowed Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.198 -1.001 . . . . 0.41 110.684 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -83.92 -44.04 14.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -1.063 . . . . 2.59 109.43 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.57 -43.13 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.944 -1.098 . . . . 2.54 109.087 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.41 98.49 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.36 -0.838 . . . . 3.39 109.235 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.18 -57.13 13.02 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.573 -0.705 . . . . 0.47 109.554 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.28 -35.7 50.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 1.66 109.648 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.25 -53.78 47.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.214 -0.929 . . . . 0.61 109.933 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.3 -41.92 97.78 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.187 -0.945 . . . . 0.33 108.809 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -51.58 -43.73 62.55 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.402 -0.811 . . . . 3.28 109.213 179.412 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.05 -45.24 95.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 1.78 109.625 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.6 -44.17 97.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.38 109.293 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.83 75.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.183 -0.948 . . . . 1.2 109.267 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.75 -38.04 88.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 2.12 109.507 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.19 -53.09 62.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.26 109.773 -179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.59 -44.36 97.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.873 . . . . 0.4 109.412 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.61 -34.98 73.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.909 . . . . 2.09 109.543 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.7 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.75 109.445 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.54 -46.77 86.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.346 -0.846 . . . . 2.19 108.971 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 1.2 m-20 -58.53 -43.28 89.17 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.585 -0.697 . . . . 1.34 109.479 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 0.72 109.774 -179.72 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.165 0.507 . . . . 1.67 109.898 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.6 m-85 -99.0 158.91 15.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.384 -0.822 . . . . 0.61 109.963 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.6 35.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.417 -0.802 . . . . 0.56 108.948 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 50.5 p -92.45 163.93 13.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.266 -0.896 . . . . 0.43 109.382 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.01 131.76 15.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.35 110.148 -179.243 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.33 128.41 34.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.37 108.75 179.414 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.17 119.72 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.535 -0.728 . . . . 0.48 109.94 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 152.76 36.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.792 . . . . 2.08 109.915 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.74 138.82 1.86 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 120.207 -0.997 . . . . 0.4 110.685 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.12 -43.93 14.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.395 -1.062 . . . . 2.64 109.323 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -43.13 93.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.031 -1.043 . . . . 2.22 109.084 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 21.5 ttm180 -62.32 -41.44 98.54 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.298 -0.876 . . . . 2.74 109.258 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.01 -57.18 12.76 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.481 -0.762 . . . . 0.43 109.628 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.2 -35.81 50.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.261 -0.899 . . . . 1.69 109.708 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.21 -53.82 47.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.259 -0.901 . . . . 0.43 109.927 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.252 -0.905 . . . . 0.27 108.849 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.6 OUTLIER -51.54 -43.82 62.47 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.335 -0.853 . . . . 2.45 109.173 179.36 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.0 -45.23 95.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.378 -0.826 . . . . 1.75 109.713 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.55 -44.21 97.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.31 109.319 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.86 75.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.155 -0.966 . . . . 1.22 109.221 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -37.99 88.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 1.73 109.498 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.33 -53.1 62.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.28 109.783 -179.681 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.48 -44.46 97.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 0.31 109.397 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.58 -35.1 73.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.933 . . . . 1.91 109.492 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.58 -50.8 65.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.43 109.413 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.339 -0.851 . . . . 1.57 108.943 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.406 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 1.2 m-20 -58.56 -43.26 89.31 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.562 -0.711 . . . . 1.44 109.463 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.67 64.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.64 109.684 -179.712 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 1.21 109.541 -179.874 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.2 -0.667 . . . . 1.7 109.2 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 26.4 m-85 -96.46 149.12 22.09 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.236 -0.915 . . . . 0.61 110.328 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.54 137.87 35.8 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.544 -0.91 . . . . 0.58 108.544 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.8 p -95.27 163.89 13.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.275 -0.89 . . . . 0.42 108.991 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.13 131.8 15.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.043 -1.036 . . . . 0.36 110.193 -179.106 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.65 125.39 32.44 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.354 -0.98 . . . . 1.37 108.354 179.114 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.562 -0.711 . . . . 0.47 109.726 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.411 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.5 ttt-85 -75.64 155.75 35.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.491 -0.755 . . . . 2.1 109.801 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.98 134.88 3.16 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.033 -1.227 . . . . 0.42 110.033 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.87 -50.1 9.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -1.127 . . . . 2.68 109.461 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.87 -40.85 81.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 2.22 109.165 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.443 HH22 ' CG ' ' C' ' 352' ' ' ASP . 26.2 ttm180 -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 2.77 109.33 179.802 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.63 -56.46 18.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.554 -0.716 . . . . 0.43 109.585 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.31 -37.6 48.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 1.66 109.867 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -63.51 -53.11 57.11 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.231 -0.918 . . . . 0.44 110.445 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.45 -42.95 99.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.039 -1.038 . . . . 0.29 109.174 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.86 -42.5 62.67 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -0.934 . . . . 2.44 109.298 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.09 -46.4 90.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.267 -0.896 . . . . 1.74 109.766 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.28 -44.07 97.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.3 109.355 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -57.38 -49.76 75.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.22 109.425 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.64 -37.35 86.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.895 . . . . 1.72 109.449 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.84 -52.53 65.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.27 109.798 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 48.9 mt -61.26 -43.38 98.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.217 -0.927 . . . . 0.29 109.504 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.38 -35.98 74.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 1.91 109.406 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.61 -50.92 65.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.411 -0.806 . . . . 0.41 109.171 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.45 -43.28 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 1.56 109.07 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 352' ' ' ASP . . . . . 0.516 ' CG ' HH22 ' C' ' 337' ' ' ARG . 1.3 m-20 -56.56 -33.45 66.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.571 -0.706 . . . . 1.43 109.449 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -37.77 82.5 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.66 109.736 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 1.18 109.593 -179.843 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.222 -0.658 . . . . 1.61 109.222 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 25.9 m-85 -96.41 149.02 22.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.134 -0.979 . . . . 0.57 110.417 -179.442 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.47 137.73 35.81 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.602 -0.888 . . . . 0.53 108.602 179.156 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.19 163.93 13.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.279 -0.888 . . . . 0.38 108.964 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.15 131.72 15.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.36 110.256 -179.091 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.47 32.52 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.304 -0.999 . . . . 1.36 108.304 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.92 112.02 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.542 -0.724 . . . . 0.49 109.697 -179.161 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.75 155.79 35.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.484 -0.76 . . . . 2.1 109.709 179.704 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.92 134.87 3.14 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.07 -1.212 . . . . 0.44 110.07 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.93 -50.08 9.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -1.09 . . . . 2.72 109.364 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.84 -40.87 81.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 2.21 109.148 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.475 HH22 ' CG ' ' D' ' 352' ' ' ASP . 26.1 ttm180 -62.03 -43.97 97.7 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 2.79 109.349 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.62 -56.38 19.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.568 -0.708 . . . . 0.45 109.625 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.43 -37.53 49.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.877 . . . . 1.68 109.845 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.64 -53.04 57.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.331 -0.856 . . . . 0.43 110.414 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.49 -42.81 99.36 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.09 -1.006 . . . . 0.28 109.227 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.88 -42.46 62.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.263 -0.898 . . . . 2.52 109.348 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.09 -46.46 90.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 1.75 109.693 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.23 -44.14 97.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 0.31 109.351 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -57.42 -49.79 75.09 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 1.21 109.269 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.62 -37.39 86.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.69 109.434 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.73 -52.58 65.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.484 -0.76 . . . . 0.27 109.86 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' B' ' 352' ' ' ASP . 49.0 mt -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.3 109.421 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.54 -35.93 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 1.93 109.333 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.64 -50.81 65.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.4 109.209 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.58 -43.19 99.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.88 . . . . 1.59 109.125 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.476 ' CG ' HH22 ' D' ' 337' ' ' ARG . 1.3 m-20 -56.57 -33.53 66.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.544 -0.722 . . . . 1.43 109.376 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.65 109.729 -179.871 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.202 -0.666 . . . . 2.11 109.202 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.6 m-85 -96.32 149.01 22.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.189 -0.944 . . . . 0.64 110.439 -179.446 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.51 137.65 35.67 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.579 -0.897 . . . . 0.49 108.579 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.2 p -95.09 163.84 13.13 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.248 -0.908 . . . . 0.47 109.048 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.05 131.8 15.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.987 . . . . 0.42 110.175 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.64 125.26 32.32 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.436 -0.95 . . . . 1.81 108.436 179.078 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.95 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.505 -0.747 . . . . 0.42 109.718 -179.142 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.5 ttt-85 -75.52 155.9 35.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 2.35 109.728 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.77 134.94 3.09 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.062 -1.215 . . . . 0.41 110.062 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.98 -50.03 9.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 2.59 109.486 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.93 -40.74 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 2.54 109.141 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.516 HH22 ' CG ' ' A' ' 352' ' ' ASP . 26.2 ttm180 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.318 -0.864 . . . . 3.39 109.365 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.543 -0.723 . . . . 0.47 109.604 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.28 -37.66 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.66 109.846 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.58 -53.04 57.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.273 -0.892 . . . . 0.61 110.428 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.49 -42.91 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.119 -0.988 . . . . 0.33 109.168 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -51.85 -42.4 62.57 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.193 -0.942 . . . . 3.28 109.374 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.13 -46.4 90.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.887 . . . . 1.78 109.73 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.24 -44.17 97.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.38 109.302 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.42 -49.68 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.26 -0.9 . . . . 1.2 109.365 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.67 -37.38 86.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.12 109.446 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.85 -52.51 65.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.26 109.833 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 48.5 mt -61.26 -43.23 99.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.966 . . . . 0.4 109.475 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.59 -35.96 75.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 2.09 109.347 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.66 -50.84 65.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.75 109.152 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.41 -43.24 99.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 2.19 109.172 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.443 ' CG ' HH22 ' A' ' 337' ' ' ARG . 1.3 m-20 -56.69 -33.36 66.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.58 -0.7 . . . . 1.34 109.412 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.72 109.743 -179.923 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.238 -0.652 . . . . 1.67 109.238 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.9 m-85 -96.36 149.02 22.16 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.151 -0.968 . . . . 0.61 110.345 -179.403 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.49 137.72 35.76 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.666 -0.864 . . . . 0.56 108.666 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.17 163.84 13.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.239 -0.913 . . . . 0.43 109.012 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.04 131.82 16.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.35 110.163 -179.085 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.4 32.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.408 -0.96 . . . . 1.37 108.408 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.95 111.97 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.543 -0.723 . . . . 0.48 109.74 -179.151 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.5 ttt-85 -75.55 155.84 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.426 -0.796 . . . . 2.08 109.7 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.9 134.84 3.12 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.069 -1.212 . . . . 0.4 110.069 179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.83 -50.16 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -1.07 . . . . 2.64 109.438 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.83 -40.89 81.11 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.971 . . . . 2.22 109.135 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.476 HH22 ' CG ' ' B' ' 352' ' ' ASP . 26.2 ttm180 -62.13 -43.85 97.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 2.74 109.346 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.71 -56.32 20.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.523 -0.736 . . . . 0.43 109.64 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.34 -37.63 48.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.389 -0.819 . . . . 1.69 109.851 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.55 -53.1 57.1 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.43 110.442 -179.197 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.047 -1.033 . . . . 0.27 109.179 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.9 -42.41 62.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.45 109.353 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.07 -46.46 90.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.75 109.757 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.33 -44.01 97.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.216 -0.928 . . . . 0.31 109.36 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.34 -49.82 74.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.262 -0.899 . . . . 1.22 109.362 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.72 -37.28 85.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.333 -0.854 . . . . 1.73 109.416 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.77 -52.59 65.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.28 109.893 -179.823 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' D' ' 352' ' ' ASP . 49.6 mt -61.3 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.31 109.39 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.4 -35.94 74.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 1.91 109.361 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.69 -50.86 65.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.827 . . . . 0.43 109.156 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.5 -43.18 99.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 1.57 109.061 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.475 ' CG ' HH22 ' B' ' 337' ' ' ARG . 1.3 m-20 -56.61 -33.37 66.19 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.66 -0.65 . . . . 1.44 109.426 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.78 82.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.914 . . . . 0.64 109.669 -179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 1.21 109.692 -179.889 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.468 -0.567 . . . . 1.7 109.468 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.16 159.46 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -0.91 . . . . 0.61 109.778 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.46 -170.75 3.06 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.58 109.387 -179.8 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.1 118.85 5.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.317 -0.864 . . . . 0.42 109.007 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.34 137.99 42.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.541 -0.725 . . . . 0.36 109.709 -179.448 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.77 130.46 34.84 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.606 -0.887 . . . . 1.37 108.606 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.59 114.03 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.346 -0.846 . . . . 0.47 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.5 134.35 40.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.566 -0.708 . . . . 2.1 109.393 179.466 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.06 144.17 12.57 Favored Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.881 -1.288 . . . . 0.42 109.881 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -84.97 -55.68 3.94 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.421 -1.046 . . . . 2.68 109.72 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.19 -37.02 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.306 -0.871 . . . . 2.22 109.482 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.64 -45.04 95.74 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.349 -0.844 . . . . 2.77 109.161 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.47 -57.81 10.34 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.53 -0.731 . . . . 0.43 109.763 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.61 -37.19 48.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 1.66 109.671 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -53.15 56.1 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 0.44 110.128 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -45.07 95.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.228 -0.92 . . . . 0.29 108.969 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.47 -43.22 55.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.167 -0.958 . . . . 2.44 109.293 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.89 -45.43 92.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 1.74 109.843 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.56 -45.27 94.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.3 109.178 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.16 -49.79 75.77 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.319 -0.863 . . . . 1.22 109.464 179.825 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.76 -36.22 82.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 1.72 109.673 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -54.01 51.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 0.27 109.899 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.79 -43.92 97.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.29 109.427 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.49 72.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 1.91 109.406 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.3 -48.64 74.86 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 0.41 109.422 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.9 -47.23 84.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.374 -0.829 . . . . 1.56 108.863 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.53 -41.69 81.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.567 -0.708 . . . . 1.43 109.352 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.51 64.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.66 109.731 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 1.18 109.687 -179.877 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.462 -0.57 . . . . 1.61 109.462 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -93.12 159.49 15.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.57 109.695 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.48 -170.7 3.05 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.316 -0.865 . . . . 0.53 109.381 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.08 118.91 5.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.38 109.037 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.6 tp -105.39 137.95 42.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.45 -0.781 . . . . 0.36 109.723 -179.372 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.81 130.43 34.87 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.682 -0.858 . . . . 1.36 108.682 178.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.6 113.96 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.405 -0.809 . . . . 0.49 109.707 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.59 134.34 40.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.606 -0.684 . . . . 2.1 109.332 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.2 12.52 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.03 -55.69 3.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -1.076 . . . . 2.72 109.747 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.23 -37.01 71.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.321 -0.862 . . . . 2.21 109.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.54 -45.07 95.73 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.349 -0.845 . . . . 2.79 109.14 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.55 -57.76 10.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.564 -0.71 . . . . 0.45 109.724 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.58 -37.33 49.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 1.68 109.679 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.53 -53.12 56.78 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.43 110.146 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.32 -45.06 96.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.173 -0.954 . . . . 0.28 108.963 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.51 -43.16 55.65 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 2.52 109.353 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.84 -45.48 92.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.75 109.856 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.66 -45.21 95.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.187 -0.946 . . . . 0.31 109.188 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.09 -49.84 75.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 1.21 109.445 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 1.69 109.618 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.74 -53.96 52.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 0.27 109.844 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.73 -44.07 97.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 0.3 109.433 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.25 -34.44 72.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.26 -0.9 . . . . 1.93 109.52 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -48.67 74.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.4 109.391 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.83 -47.32 83.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.921 . . . . 1.59 108.804 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.46 -41.77 81.21 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.553 -0.717 . . . . 1.43 109.357 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 0.65 109.751 -179.736 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.47 -0.567 . . . . 2.11 109.47 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -93.15 159.42 15.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.306 -0.872 . . . . 0.64 109.775 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.42 -170.74 3.06 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.449 -0.782 . . . . 0.49 109.329 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -153.12 118.84 5.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.258 -0.901 . . . . 0.47 108.983 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.8 tp -105.3 137.87 42.41 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.498 -0.751 . . . . 0.42 109.794 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.72 130.43 34.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.602 -0.888 . . . . 1.81 108.602 178.939 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.0 mt -123.63 113.97 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.341 -0.849 . . . . 0.42 109.739 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.19 40.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.557 -0.715 . . . . 2.35 109.45 179.497 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.23 12.54 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.911 -1.276 . . . . 0.41 109.911 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.0 -55.77 3.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.265 -1.138 . . . . 2.59 109.646 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.18 -36.99 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 2.54 109.48 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.66 -45.01 95.86 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.306 -0.871 . . . . 3.39 109.19 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.51 -57.81 10.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.535 -0.728 . . . . 0.47 109.735 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.62 -37.24 49.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.279 -0.888 . . . . 1.66 109.73 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.48 -53.22 55.44 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.167 -0.958 . . . . 0.61 110.154 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.2 -45.2 95.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.33 108.925 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.5 -43.2 55.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.302 -0.873 . . . . 3.28 109.274 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.82 -45.57 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.78 109.819 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.49 -45.23 95.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -0.91 . . . . 0.38 109.239 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.17 -49.75 75.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.231 -0.918 . . . . 1.2 109.478 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.75 -36.36 82.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.12 109.617 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.39 -54.19 49.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.26 109.939 -179.702 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.7 -43.85 98.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.4 109.544 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.35 -34.49 72.44 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.906 . . . . 2.09 109.466 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.24 -48.68 74.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.179 -0.95 . . . . 0.75 109.437 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.89 -47.22 84.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.346 -0.846 . . . . 2.19 108.821 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -57.56 -41.71 81.57 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.563 -0.71 . . . . 1.34 109.353 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.383 -0.823 . . . . 0.72 109.725 -179.746 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.455 -0.572 . . . . 1.67 109.455 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.17 159.52 15.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.292 -0.88 . . . . 0.61 109.684 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.54 -170.76 3.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.832 . . . . 0.56 109.332 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.11 118.73 5.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.197 -0.939 . . . . 0.43 109.106 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.26 137.89 42.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.553 -0.717 . . . . 0.35 109.764 -179.234 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.82 130.56 34.83 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.546 -0.909 . . . . 1.37 108.546 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.74 113.92 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.407 -0.808 . . . . 0.48 109.664 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.38 40.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.589 -0.695 . . . . 2.08 109.406 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.1 144.24 12.6 Favored Glycine 0 N--CA 1.5 2.905 0 N-CA-C 109.86 -1.296 . . . . 0.4 109.86 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.08 -55.68 3.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.391 -1.064 . . . . 2.64 109.659 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.828 . . . . 2.22 109.434 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.7 -45.03 95.75 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.297 -0.877 . . . . 2.74 109.171 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.56 -57.81 10.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.601 -0.687 . . . . 0.43 109.634 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.55 -37.32 48.97 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.348 -0.845 . . . . 1.69 109.675 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.52 -53.2 55.65 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.234 -0.916 . . . . 0.43 110.133 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.24 -45.13 95.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.95 . . . . 0.27 108.94 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.53 -43.18 55.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.222 -0.924 . . . . 2.45 109.31 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.9 -45.49 92.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.75 109.796 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.53 -45.31 94.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.31 109.233 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.1 -49.81 75.67 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.335 -0.853 . . . . 1.22 109.458 179.763 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.76 -36.19 82.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.262 -0.899 . . . . 1.73 109.63 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.59 -54.02 51.72 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -0.894 . . . . 0.28 109.88 -179.633 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.31 109.472 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.53 72.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 1.91 109.438 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.2 -48.74 74.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 0.43 109.46 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.88 -47.26 84.08 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.352 -0.843 . . . . 1.57 108.767 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.5 -41.69 81.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.576 -0.702 . . . . 1.44 109.378 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.808 . . . . 0.64 109.737 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.088 -1.008 . . . . 1.21 109.682 -179.923 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.29 0.567 . . . . 1.7 110.41 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.22 161.66 13.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.568 -0.708 . . . . 0.61 109.464 179.166 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.38 -170.39 2.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.345 -0.847 . . . . 0.58 109.384 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.9 p -153.96 125.03 7.32 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.42 109.089 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.7 tp -116.8 139.61 50.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.507 -0.746 . . . . 0.36 109.947 -178.657 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 17.8 tt0 -87.66 129.68 35.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.656 -0.653 . . . . 1.37 109.278 179.147 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -124.1 118.08 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.546 -0.721 . . . . 0.47 109.082 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.609 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.53 152.67 39.31 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 2.1 109.577 -179.891 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 86.06 137.61 4.6 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.537 -1.025 . . . . 0.42 110.537 178.618 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.72 -51.76 11.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.511 -0.993 . . . . 2.68 109.278 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.0 -38.6 76.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 2.22 109.175 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.81 -44.94 90.94 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.357 -0.839 . . . . 2.77 109.723 179.884 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.41 -57.42 11.92 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.526 -0.734 . . . . 0.43 109.729 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -51.45 -39.95 58.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 1.66 110.145 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -63.21 -51.1 67.66 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.071 -1.018 . . . . 0.44 110.249 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.01 -44.6 96.37 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.103 -0.998 . . . . 0.29 109.063 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -50.86 -42.74 59.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 2.44 109.175 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -59.67 -45.79 90.99 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.224 -0.922 . . . . 1.74 109.569 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.58 -48.42 81.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.3 109.209 179.781 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 45.8 t-20 -58.2 -48.64 79.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.387 -0.82 . . . . 1.22 109.654 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -61.56 -38.19 86.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 1.72 109.463 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.78 -52.49 65.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 0.27 109.723 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.86 -41.55 97.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.29 109.356 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.28 -38.02 76.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 1.91 109.196 179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.69 -49.19 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.837 . . . . 0.41 109.242 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.03 -40.16 94.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.853 . . . . 1.56 108.982 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.32 -34.53 66.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.5 -0.75 . . . . 1.43 109.526 179.689 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.64 75.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 0.66 109.602 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 1.18 109.524 -179.877 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.378 0.608 . . . . 1.61 110.292 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -100.13 161.82 13.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.53 -0.731 . . . . 0.57 109.343 179.253 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.5 -170.4 2.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.397 -0.815 . . . . 0.53 109.371 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.8 p -153.95 125.19 7.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.398 -0.814 . . . . 0.38 109.037 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.82 139.54 50.48 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.556 0.693 . . . . 0.36 109.847 -178.613 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.506 ' O ' ' ND2' ' D' ' 345' ' ' ASN . 17.7 tt0 -87.68 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.571 -0.705 . . . . 1.36 109.27 179.059 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -124.16 118.24 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.503 -0.748 . . . . 0.49 109.104 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.65 152.74 39.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.211 -0.93 . . . . 2.1 109.572 -179.89 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.495 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 85.75 137.54 4.4 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.509 -1.037 . . . . 0.44 110.509 178.626 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -75.39 -51.98 11.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.621 -0.929 . . . . 2.72 109.308 179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.03 -38.34 76.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 2.21 109.188 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.69 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.92 -45.05 91.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.217 -0.927 . . . . 2.79 109.712 179.8 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.28 -57.47 11.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.518 -0.739 . . . . 0.45 109.72 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.41 -40.01 58.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.316 -0.865 . . . . 1.68 110.152 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.23 -51.06 67.79 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.116 -0.99 . . . . 0.43 110.206 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.01 -44.65 96.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.188 -0.945 . . . . 0.28 109.051 -179.691 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -50.68 -42.79 57.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.251 -0.905 . . . . 2.52 109.194 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -59.76 -45.79 91.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.341 -0.849 . . . . 1.75 109.499 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.59 -48.41 81.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.31 109.27 179.761 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 45.6 t-20 -58.11 -48.72 79.34 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 1.21 109.625 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.6 -38.1 86.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.69 109.504 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.77 -52.52 65.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.329 -0.857 . . . . 0.27 109.756 -179.703 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.84 -41.53 97.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.964 . . . . 0.3 109.423 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -58.29 -38.04 76.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.93 109.198 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.77 -49.03 74.56 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.239 -0.913 . . . . 0.4 109.279 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.05 -40.16 94.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 1.59 108.965 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -56.41 -34.47 66.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.53 -0.731 . . . . 1.43 109.5 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 0.65 109.653 -179.724 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.397 0.618 . . . . 2.11 110.34 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.22 161.64 13.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.486 -0.759 . . . . 0.64 109.424 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.27 -170.37 2.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.322 -0.862 . . . . 0.49 109.405 -179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.0 p -154.01 124.95 7.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.308 -0.87 . . . . 0.47 109.096 -179.673 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.72 139.66 50.3 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.665 -0.647 . . . . 0.42 109.963 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.483 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 17.8 tt0 -87.69 129.67 35.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.634 -0.666 . . . . 1.81 109.273 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -124.05 118.2 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.469 -0.769 . . . . 0.42 109.103 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.58 152.7 39.25 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.231 -0.918 . . . . 2.35 109.565 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.502 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 86.05 137.8 4.66 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.494 -1.042 . . . . 0.41 110.494 178.6 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.78 -51.92 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.479 -1.012 . . . . 2.59 109.278 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.63 76.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.908 . . . . 2.54 109.172 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.77 -45.1 90.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.251 -0.906 . . . . 3.39 109.624 179.901 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -57.49 11.6 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.518 -0.739 . . . . 0.47 109.725 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.4 -40.05 58.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 1.66 110.093 -179.571 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.062 -1.024 . . . . 0.61 110.211 -179.058 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.237 -0.914 . . . . 0.33 109.067 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.7 -42.82 57.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 3.28 109.236 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.192 -0.942 . . . . 1.78 109.553 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.64 -48.4 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.38 109.209 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 45.5 t-20 -58.14 -48.67 79.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 1.2 109.636 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.56 -38.07 86.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 2.12 109.461 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.73 -52.62 64.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.26 109.82 -179.769 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.76 -41.54 97.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 0.4 109.375 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -58.26 -38.11 76.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 2.09 109.254 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.74 -49.09 74.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.75 109.204 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.06 -40.15 94.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.373 -0.83 . . . . 2.19 108.981 179.865 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.44 -34.59 66.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.538 -0.727 . . . . 1.34 109.529 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.72 109.69 -179.762 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.289 0.566 . . . . 1.67 110.313 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.34 161.42 13.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.61 109.325 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.15 -170.48 2.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.271 -0.893 . . . . 0.56 109.332 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -153.75 125.29 7.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 0.43 109.008 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.9 139.54 50.51 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.605 -0.685 . . . . 0.35 109.901 -178.743 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.486 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 17.7 tt0 -87.69 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.215 -0.661 . . . . 1.37 109.215 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -124.12 118.18 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.471 -0.768 . . . . 0.48 109.119 179.638 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.61 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.66 152.69 39.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 2.08 109.513 -179.826 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 85.98 137.8 4.62 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.466 -1.054 . . . . 0.4 110.466 178.585 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -75.63 -52.02 11.49 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.466 -1.02 . . . . 2.64 109.275 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.49 76.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 2.22 109.166 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.691 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.93 -44.97 91.44 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 2.74 109.725 179.891 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.32 -57.37 12.12 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.595 -0.69 . . . . 0.43 109.793 -179.764 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.44 -40.06 58.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 1.69 110.078 -179.647 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -63.33 -50.93 68.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.059 -1.026 . . . . 0.43 110.216 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.01 -44.6 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.148 -0.97 . . . . 0.27 109.136 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.81 -42.79 58.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.45 109.201 179.46 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -59.66 -45.75 91.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 1.75 109.548 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.62 -48.42 80.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.31 109.193 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 45.6 t-20 -58.23 -48.63 79.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 1.22 109.661 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.54 -38.1 86.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.892 . . . . 1.73 109.453 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.74 -52.65 64.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.28 109.797 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.79 -41.59 97.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.31 109.279 -179.911 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.31 -37.99 76.19 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.17 -0.956 . . . . 1.91 109.185 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.79 -49.16 74.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 0.43 109.226 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.332 -0.855 . . . . 1.57 108.944 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.46 -34.53 66.98 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.519 -0.738 . . . . 1.44 109.567 179.677 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.51 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.163 -0.961 . . . . 0.64 109.698 -179.751 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 1.21 109.497 -179.873 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.262 0.553 . . . . 1.7 109.732 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -93.75 156.74 16.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.61 109.301 179.699 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.22 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.226 -0.921 . . . . 0.58 109.338 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.3 p -150.35 151.07 32.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.307 -0.871 . . . . 0.42 108.683 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.4 132.83 23.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 0.36 109.601 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.53 127.6 34.13 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.586 -0.894 . . . . 1.37 108.586 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.42 116.34 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.49 -0.756 . . . . 0.47 109.222 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.68 154.57 36.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.475 -0.766 . . . . 2.1 110.109 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 136.68 2.47 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.566 -1.014 . . . . 0.42 110.566 179.02 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.404 ' HG3' ' NH1' ' A' ' 335' ' ' ARG . 41.4 ttm-85 -81.64 -45.76 15.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.441 -1.034 . . . . 2.68 109.078 179.412 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -57.64 -47.72 81.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 2.22 109.064 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -62.55 -42.84 99.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.311 -0.868 . . . . 2.77 109.038 179.813 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -55.34 -58.47 7.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.707 -0.621 . . . . 0.43 109.768 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.29 -37.28 46.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.346 -0.846 . . . . 1.66 109.93 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.86 -50.59 68.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.44 110.338 -179.175 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.028 -1.045 . . . . 0.29 109.387 -179.675 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.412 ' HG3' ' NH1' ' A' ' 342' ' ' ARG . 12.9 ttm-85 -51.3 -42.67 61.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.071 -1.018 . . . . 2.44 109.176 179.57 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.3 -45.21 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.74 109.945 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.19 -43.42 98.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.107 -0.996 . . . . 0.3 109.29 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.34 -51.29 70.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.203 -0.936 . . . . 1.22 109.348 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.67 -34.44 77.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 1.72 109.521 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.92 -53.36 59.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.352 -0.843 . . . . 0.27 109.857 -179.651 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.24 -43.71 98.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.29 109.286 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -58.34 -39.86 80.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.906 . . . . 1.91 109.16 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.3 -37.81 88.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.247 -0.908 . . . . 0.41 109.035 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.89 -43.8 98.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.597 -0.89 . . . . 1.56 108.597 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.29 -36.09 68.24 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.252 -0.648 . . . . 1.43 109.252 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.87 66.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.316 -0.865 . . . . 0.66 109.037 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 1.18 109.262 179.676 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.232 0.539 . . . . 1.61 109.751 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -93.75 156.8 16.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.917 . . . . 0.57 109.276 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.28 -174.18 3.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.53 109.281 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -150.32 151.02 32.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.38 108.693 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.32 132.81 23.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.36 109.61 -178.854 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.58 34.14 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.592 -0.892 . . . . 1.36 108.592 179.236 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.6 mt -123.39 116.37 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.549 -0.719 . . . . 0.49 109.237 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.67 154.56 36.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 2.1 110.092 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.28 136.7 2.43 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.567 -1.013 . . . . 0.44 110.567 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 41.5 ttm-85 -81.68 -45.71 15.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -1.037 . . . . 2.72 109.051 179.421 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.69 -47.68 81.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.884 . . . . 2.21 109.104 179.815 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.5 -43.0 99.88 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 2.79 108.988 179.734 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.3 -58.43 7.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.674 -0.641 . . . . 0.45 109.785 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.35 -37.28 47.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.848 . . . . 1.68 109.908 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.73 -50.62 68.42 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.197 -0.94 . . . . 0.43 110.456 -179.312 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.66 -43.47 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.076 -1.015 . . . . 0.28 109.41 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' B' ' 342' ' ' ARG . 12.8 ttm-85 -51.26 -42.79 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.082 . . . . 2.52 109.124 179.545 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.23 -45.15 95.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.32 -0.863 . . . . 1.75 109.999 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.2 -43.53 98.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.2 -0.938 . . . . 0.31 109.261 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.2 -51.39 69.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.213 -0.929 . . . . 1.21 109.35 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.67 -34.43 77.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.875 . . . . 1.69 109.549 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.82 -53.45 58.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.369 -0.832 . . . . 0.27 109.9 -179.739 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.25 -43.68 98.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.3 109.194 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.45 -39.82 80.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 1.93 109.164 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.31 -37.72 88.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.314 -0.866 . . . . 0.4 109.071 179.689 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.94 -43.84 98.0 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.588 -0.893 . . . . 1.59 108.588 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.24 -36.1 68.13 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.228 -0.656 . . . . 1.43 109.228 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.65 109.021 179.743 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.223 0.535 . . . . 2.11 109.744 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.75 156.79 16.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.306 -0.871 . . . . 0.64 109.289 179.746 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.26 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.49 109.304 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -150.39 151.02 32.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.27 -0.894 . . . . 0.47 108.681 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.5 tp -143.37 132.83 23.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.3 -0.875 . . . . 0.42 109.584 -178.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.6 34.15 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.617 -0.883 . . . . 1.81 108.617 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.4 116.34 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.534 -0.729 . . . . 0.42 109.193 -179.543 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.66 154.59 36.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.747 . . . . 2.35 110.06 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 136.7 2.46 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.507 -1.037 . . . . 0.41 110.507 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -81.68 -45.72 15.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -1.063 . . . . 2.59 109.055 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.68 -47.69 81.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.85 . . . . 2.54 109.088 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.44 -42.98 99.86 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.371 -0.83 . . . . 3.39 109.123 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.24 -58.45 7.63 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.556 -0.715 . . . . 0.47 109.822 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.42 -37.11 46.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.822 . . . . 1.66 109.964 -179.574 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.89 -50.55 68.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.19 -0.944 . . . . 0.61 110.407 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.45 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.965 -1.084 . . . . 0.33 109.422 -179.718 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' C' ' 342' ' ' ARG . 12.8 ttm-85 -51.23 -42.84 61.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.031 -1.043 . . . . 3.28 109.091 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.27 -45.23 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.78 109.923 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.16 -43.47 98.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.38 109.302 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.38 70.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.2 109.326 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.34 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 2.12 109.561 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.92 -53.45 58.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.26 109.854 -179.667 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.1 -43.77 98.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.096 -1.003 . . . . 0.4 109.255 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.37 -39.89 80.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 2.09 109.108 179.795 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -37.77 88.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.75 108.98 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.92 -43.78 98.13 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.605 -0.887 . . . . 2.19 108.605 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -56.16 -36.22 68.07 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.296 -0.631 . . . . 1.34 109.296 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.317 -0.864 . . . . 0.72 109.053 179.822 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.342 0.591 . . . . 1.67 109.679 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.68 156.78 16.51 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.203 -0.936 . . . . 0.61 109.306 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.25 -174.26 3.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.262 -0.899 . . . . 0.56 109.266 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.8 p -150.34 151.03 32.25 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.627 -0.879 . . . . 0.43 108.627 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.1 tp -143.32 132.88 23.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.35 109.548 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.7 127.62 34.19 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.556 -0.905 . . . . 1.37 108.556 179.249 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.4 116.32 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.444 -0.785 . . . . 0.48 109.145 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -75.68 154.67 36.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.482 -0.762 . . . . 2.08 110.093 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.26 136.63 2.41 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.623 -0.991 . . . . 0.4 110.623 179.03 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -81.67 -45.67 15.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -1.062 . . . . 2.64 109.067 179.445 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -57.67 -47.67 81.67 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.34 -0.85 . . . . 2.22 109.13 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.391 -0.818 . . . . 2.74 109.04 179.714 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.33 -58.42 7.8 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.58 -0.7 . . . . 0.43 109.773 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.41 -37.17 47.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 1.69 110.014 -179.549 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.74 -50.63 68.35 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.25 -0.906 . . . . 0.43 110.455 -179.326 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.027 -1.046 . . . . 0.27 109.393 -179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' D' ' 342' ' ' ARG . 12.8 ttm-85 -51.31 -42.75 61.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 2.45 109.089 179.519 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.34 -45.14 95.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 1.75 109.953 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.22 -43.47 98.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 0.31 109.274 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.26 70.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.935 . . . . 1.22 109.421 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.49 77.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 1.73 109.556 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.87 -53.46 58.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.292 -0.88 . . . . 0.28 109.827 -179.661 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.16 -43.78 98.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.31 109.201 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.32 -39.83 80.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 1.91 109.203 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.39 -37.78 88.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.43 108.977 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.93 -43.76 98.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.241 -0.912 . . . . 1.57 108.609 179.276 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.3 -36.11 68.29 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.247 -0.649 . . . . 1.44 109.247 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -25.71 66.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.64 109.172 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.814 . . . . 1.21 109.198 179.679 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.25 0.548 . . . . 1.7 109.679 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.8 155.23 16.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.3 -0.875 . . . . 0.61 109.733 179.814 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.83 139.79 34.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.327 -0.858 . . . . 0.58 109.068 179.397 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.9 p -96.4 163.89 12.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 0.42 108.894 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.7 134.87 18.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 0.36 110.045 -179.273 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.04 127.58 34.27 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.79 -0.819 . . . . 1.37 108.79 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.3 mt -123.42 111.17 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.524 -0.735 . . . . 0.47 109.198 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.54 40.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 2.1 110.027 -179.757 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.19 135.98 4.13 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.468 -1.053 . . . . 0.42 110.468 179.098 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -38.4 31.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -1.037 . . . . 2.68 108.902 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 336' ' ' GLU . 9.9 mp0 -59.28 -46.88 87.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 2.22 109.183 179.706 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.95 -39.86 93.55 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.529 -0.732 . . . . 2.77 109.506 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.04 -53.38 56.58 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.431 -0.793 . . . . 0.43 109.598 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.13 -42.74 66.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 1.66 109.798 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.9 -50.47 70.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.313 -0.867 . . . . 0.44 110.23 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.26 -45.93 92.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 0.29 108.986 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.83 -42.83 62.85 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.217 -0.927 . . . . 2.44 109.38 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.97 -45.32 95.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 1.74 109.985 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 0.3 109.252 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.34 -50.98 71.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 1.22 109.485 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.63 99.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 1.72 109.823 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -51.48 69.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.27 109.757 -179.602 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.26 -45.46 93.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.29 109.392 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.79 -34.46 73.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 1.91 109.226 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.86 -48.73 75.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.41 109.433 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.65 -43.67 98.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.4 -0.812 . . . . 1.56 109.017 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -32.49 64.26 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.696 -0.627 . . . . 1.43 109.404 179.741 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.19 78.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.66 109.672 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 1.18 109.565 -179.775 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.229 0.538 . . . . 1.61 109.685 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.76 155.31 16.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.26 -0.9 . . . . 0.57 109.744 179.789 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -140.89 139.78 34.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.319 -0.863 . . . . 0.53 109.029 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.37 163.93 12.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.38 108.86 179.737 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.72 134.98 18.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.36 110.047 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -85.09 127.63 34.31 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.839 -0.8 . . . . 1.36 108.839 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.44 111.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.584 0.707 . . . . 0.49 109.215 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.58 40.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 2.1 110.05 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.08 136.02 4.08 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.462 -1.055 . . . . 0.44 110.462 179.1 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.26 -38.4 31.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -1.084 . . . . 2.72 108.863 179.368 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 9.9 mp0 -59.32 -46.84 87.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 2.21 109.155 179.736 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.87 -39.98 93.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.485 -0.759 . . . . 2.79 109.501 179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.97 -53.36 56.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.45 109.675 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.57 66.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.887 . . . . 1.68 109.757 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.89 -50.56 70.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.333 -0.854 . . . . 0.43 110.279 -179.317 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -45.98 92.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.28 109.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.77 -42.8 62.67 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 2.52 109.486 179.642 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.03 -45.32 95.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.31 -0.869 . . . . 1.75 109.925 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.48 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 0.31 109.26 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.29 -50.99 71.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 1.21 109.509 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.0 -42.6 99.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 1.69 109.908 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.84 -51.42 69.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.258 -0.901 . . . . 0.27 109.834 -179.693 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.32 -45.55 92.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.3 109.381 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.67 -34.34 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.238 -0.914 . . . . 1.93 109.282 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.99 -48.7 75.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.472 -0.767 . . . . 0.4 109.437 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.6 -43.62 98.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.846 . . . . 1.59 109.008 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.677 -0.64 . . . . 1.43 109.413 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.65 109.706 -179.933 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.279 0.561 . . . . 2.11 109.699 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -95.87 155.3 16.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.239 -0.913 . . . . 0.64 109.679 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.88 139.8 34.46 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.424 -0.798 . . . . 0.49 109.027 179.403 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.35 163.8 12.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.47 108.861 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.67 134.92 18.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.019 -1.051 . . . . 0.42 110.039 -179.355 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.03 127.65 34.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.815 -0.809 . . . . 1.81 108.815 179.303 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.2 mt -123.42 111.11 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 109.206 -0.665 . . . . 0.42 109.206 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.94 147.58 40.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -0.804 . . . . 2.35 110.059 -179.788 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.14 135.96 4.1 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.518 -1.033 . . . . 0.41 110.518 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -80.22 -38.36 31.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.405 -1.056 . . . . 2.59 108.888 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 mp0 -59.29 -46.88 87.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 2.54 109.105 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -61.96 -39.84 93.52 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.427 -0.796 . . . . 3.39 109.502 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -55.11 -53.33 57.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.487 -0.758 . . . . 0.47 109.578 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.6 66.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.342 -0.849 . . . . 1.66 109.754 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.95 -50.51 70.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.267 -0.896 . . . . 0.61 110.25 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.27 -45.94 92.42 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.071 -1.018 . . . . 0.33 108.95 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.8 -42.86 62.8 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.283 -0.885 . . . . 3.28 109.484 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -60.95 -45.34 95.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.352 -0.842 . . . . 1.78 109.919 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.172 -0.955 . . . . 0.38 109.262 -179.881 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.21 -51.07 71.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.243 -0.911 . . . . 1.2 109.525 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.97 -42.57 99.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 2.12 109.884 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.98 -51.4 69.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.26 109.752 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.28 -45.65 92.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.147 -0.97 . . . . 0.4 109.326 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.62 -34.39 72.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -0.893 . . . . 2.09 109.281 179.822 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.92 -48.73 75.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.75 109.456 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.56 -43.72 98.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 2.19 108.95 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.07 -32.51 64.19 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.589 -0.694 . . . . 1.34 109.389 179.772 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 0.72 109.702 -179.877 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.222 0.534 . . . . 1.67 109.687 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.81 155.26 16.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.267 -0.895 . . . . 0.61 109.676 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.89 139.86 34.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.276 -0.89 . . . . 0.56 109.045 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 163.83 12.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.321 -0.862 . . . . 0.43 108.856 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.65 134.97 18.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 0.35 110.023 -179.389 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.06 127.61 34.29 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.851 -0.796 . . . . 1.37 108.851 179.219 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.0 mt -123.4 111.14 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.554 -0.716 . . . . 0.48 109.219 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.53 40.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.512 -0.743 . . . . 2.08 110.192 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.21 135.96 4.14 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.505 -1.038 . . . . 0.4 110.505 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.19 -38.44 31.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.64 108.885 179.331 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 9.9 mp0 -59.27 -46.84 87.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 2.22 109.186 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.89 -39.93 93.66 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.475 -0.766 . . . . 2.74 109.579 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.0 -53.42 55.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.433 -0.792 . . . . 0.43 109.643 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.21 -42.6 66.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.427 -0.795 . . . . 1.69 109.75 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.98 -50.5 70.53 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.43 110.236 -179.245 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -46.0 92.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.069 -1.019 . . . . 0.27 108.967 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.87 -42.77 62.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.286 -0.884 . . . . 2.45 109.406 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -61.03 -45.24 95.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 1.75 109.935 -179.578 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.5 -43.42 98.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.31 109.258 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.26 -51.01 71.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.22 109.533 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.53 99.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 1.73 109.908 -179.701 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.98 -51.37 69.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.28 109.807 -179.646 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.28 -45.6 92.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.31 109.35 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.65 -34.43 72.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.91 109.266 179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.91 -48.72 75.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.832 . . . . 0.43 109.374 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -62.57 -43.68 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 1.57 109.131 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.15 -32.44 64.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.652 -0.655 . . . . 1.44 109.442 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -44.06 78.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.64 109.756 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.886 . . . . 1.21 109.604 -179.848 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.289 0.566 . . . . 1.7 109.573 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -94.44 153.14 18.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 0.61 109.602 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -135.91 -169.52 2.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.362 -0.836 . . . . 0.58 109.397 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.21 146.88 25.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.42 108.73 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -141.18 135.29 30.64 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.36 109.69 -178.742 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.68 130.31 34.6 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.839 -0.801 . . . . 1.37 108.839 179.214 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.54 118.8 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.555 -0.716 . . . . 0.47 109.465 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.17 152.84 36.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 2.1 110.076 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.09 136.29 1.2 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.476 -1.05 . . . . 0.42 110.476 179.028 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.83 -41.5 20.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -1.042 . . . . 2.68 108.937 179.245 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.56 -45.7 88.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.304 -0.872 . . . . 2.22 108.658 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -62.67 -41.09 98.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.506 -0.746 . . . . 2.77 109.12 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.68 -56.37 21.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.535 -0.728 . . . . 0.43 109.545 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.97 -36.9 51.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.315 -0.866 . . . . 1.66 109.464 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.97 -53.58 51.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.402 -0.811 . . . . 0.44 109.883 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.72 -44.42 96.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.135 -0.978 . . . . 0.29 108.901 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.69 -43.73 62.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.318 -0.864 . . . . 2.44 109.225 179.631 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.19 -52.03 67.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.74 109.664 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.25 -36.28 77.41 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.3 108.665 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.23 -56.83 17.18 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.22 109.298 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.58 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.366 -0.834 . . . . 1.72 109.492 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.66 -54.06 51.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.82 . . . . 0.27 109.909 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.53 -46.56 89.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.166 -0.959 . . . . 0.29 109.225 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.82 -35.2 72.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.367 -0.833 . . . . 1.91 109.197 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.19 -46.93 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.326 -0.859 . . . . 0.41 109.317 179.889 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.36 -39.78 94.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.393 -0.817 . . . . 1.56 108.975 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.27 -33.98 65.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.626 -0.671 . . . . 1.43 109.45 179.763 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.57 35.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.66 109.745 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 1.18 109.608 -179.79 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.255 0.55 . . . . 1.61 109.524 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -94.52 153.04 18.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.295 -0.878 . . . . 0.57 109.598 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -135.76 -169.42 2.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.351 -0.843 . . . . 0.53 109.314 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -152.31 146.83 25.69 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.32 -0.863 . . . . 0.38 108.723 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.1 135.23 30.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.372 -0.83 . . . . 0.36 109.716 -178.671 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.67 130.37 34.58 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.766 -0.827 . . . . 1.36 108.766 179.23 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.61 118.77 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.508 -0.745 . . . . 0.49 109.352 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.19 152.79 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 2.1 109.985 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.1 136.34 1.22 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.473 -1.051 . . . . 0.44 110.473 179.056 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.93 -41.4 20.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.437 -1.037 . . . . 2.72 108.934 179.274 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.63 -45.66 88.76 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.642 -0.873 . . . . 2.21 108.642 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -62.81 -40.94 98.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.427 -0.796 . . . . 2.79 109.122 179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -55.67 -56.42 20.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.45 109.534 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.89 -36.98 50.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 1.68 109.509 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.93 -53.58 51.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.3 -0.875 . . . . 0.43 109.929 -179.57 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.69 -44.53 96.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28 108.925 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.59 -43.72 62.58 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.253 -0.904 . . . . 2.52 109.277 179.603 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.12 -52.12 66.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.84 . . . . 1.75 109.657 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.15 -36.35 77.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.244 -0.91 . . . . 0.31 108.719 179.749 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.94 15.72 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.423 -0.798 . . . . 1.21 109.248 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.51 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.824 . . . . 1.69 109.486 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.61 -54.08 51.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -0.84 . . . . 0.27 109.951 -179.618 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.4 -46.6 89.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.173 -0.954 . . . . 0.3 109.294 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.76 -35.24 72.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 1.93 109.273 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.94 81.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.341 -0.849 . . . . 0.4 109.3 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -62.36 -39.78 94.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 1.59 109.018 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.33 -33.83 66.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.651 -0.655 . . . . 1.43 109.447 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.65 109.769 -179.799 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.277 0.56 . . . . 2.11 109.63 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.39 153.03 18.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.262 -0.898 . . . . 0.64 109.633 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -135.87 -169.43 2.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.344 -0.848 . . . . 0.49 109.341 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -152.24 146.87 25.76 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.68 -0.859 . . . . 0.47 108.68 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.6 tp -141.13 135.2 30.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.283 -0.886 . . . . 0.42 109.721 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.64 130.31 34.6 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.793 -0.818 . . . . 1.81 108.793 179.229 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.58 118.82 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.526 -0.734 . . . . 0.42 109.418 -179.711 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -76.11 152.82 36.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.585 -0.697 . . . . 2.35 110.078 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.0 136.37 1.18 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.468 -1.053 . . . . 0.41 110.468 179.061 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.89 -41.47 20.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -1.045 . . . . 2.59 108.89 179.322 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.67 -45.56 89.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 2.54 108.641 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -62.83 -41.02 99.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.4 -0.813 . . . . 3.39 109.124 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.76 -56.29 22.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.481 -0.762 . . . . 0.47 109.513 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.94 -36.97 51.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 1.66 109.481 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.89 -53.63 51.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.299 -0.876 . . . . 0.61 109.876 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -44.41 96.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.33 108.921 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.7 -43.67 62.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 3.28 109.233 179.629 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.07 66.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 1.78 109.66 -179.88 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.26 -36.31 77.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 0.38 108.644 179.768 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.17 -56.91 16.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.408 -0.808 . . . . 1.2 109.232 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.57 -31.08 72.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.12 109.446 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.62 -54.12 50.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 0.26 109.918 -179.63 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.44 -46.56 89.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.4 109.24 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.86 -35.18 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 2.09 109.262 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.92 81.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 0.75 109.297 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.48 -39.68 94.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.377 -0.827 . . . . 2.19 108.969 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.37 -33.83 66.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.559 -0.713 . . . . 1.34 109.453 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.72 109.787 -179.832 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.561 -0.533 . . . . 1.67 109.561 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.47 153.1 18.09 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.286 -0.884 . . . . 0.61 109.557 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.91 -169.48 2.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.56 109.385 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -152.22 146.89 25.79 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.263 -0.898 . . . . 0.43 108.671 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.18 135.24 30.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.271 -0.893 . . . . 0.35 109.73 -178.753 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.57 130.36 34.59 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.797 -0.816 . . . . 1.37 108.797 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -123.61 118.85 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.449 -0.782 . . . . 0.48 109.407 -179.674 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.25 152.8 36.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.553 -0.717 . . . . 2.08 110.034 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.08 136.37 1.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.498 -1.041 . . . . 0.4 110.498 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -81.86 -41.49 20.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.398 -1.06 . . . . 2.64 108.886 179.344 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.62 -45.57 88.92 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.281 -0.887 . . . . 2.22 108.71 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.85 -40.97 99.09 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.456 -0.778 . . . . 2.74 109.078 179.63 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.71 -56.41 20.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.488 -0.757 . . . . 0.43 109.471 179.848 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.87 -36.99 50.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.236 -0.915 . . . . 1.69 109.517 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.9 -53.54 52.49 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.275 -0.891 . . . . 0.43 109.936 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.78 -44.45 96.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.27 108.854 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.61 -43.76 62.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.26 -0.9 . . . . 2.45 109.235 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.09 66.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 1.75 109.665 -179.827 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.17 -36.37 77.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.91 . . . . 0.31 108.671 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.18 -56.81 17.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.445 -0.784 . . . . 1.22 109.323 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.66 -31.02 72.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.365 -0.834 . . . . 1.73 109.499 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -54.15 50.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.28 109.95 -179.71 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.5 -46.57 89.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.143 -0.973 . . . . 0.31 109.258 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.74 -35.24 72.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 1.91 109.257 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.14 -46.97 81.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.43 109.339 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.39 -39.7 94.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 1.57 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.39 -33.89 66.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.572 -0.705 . . . . 1.44 109.367 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -52.6 35.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 0.64 109.722 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.384 -0.823 . . . . 1.21 109.565 -179.735 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.269 0.557 . . . . 1.7 109.644 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.78 159.57 14.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.23 -0.919 . . . . 0.61 109.568 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -139.56 -171.62 3.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.415 -0.803 . . . . 0.58 109.309 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.6 p -150.64 148.78 29.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.42 108.58 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.08 135.6 29.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 0.36 109.803 -178.606 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.63 130.82 34.67 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.547 -0.909 . . . . 1.37 108.547 178.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -123.39 111.86 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.503 -0.748 . . . . 0.47 109.072 -179.516 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.87 146.47 44.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 2.1 110.068 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 135.64 5.87 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.792 -1.323 . . . . 0.42 109.792 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.07 -49.05 10.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.254 -1.145 . . . . 2.68 109.642 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.29 -40.56 78.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.131 -0.981 . . . . 2.22 109.154 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.16 -41.65 97.06 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.2 -0.938 . . . . 2.77 109.306 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -55.05 -56.34 20.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.43 109.943 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.49 -37.02 46.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -0.904 . . . . 1.66 109.849 -179.65 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.23 -52.04 63.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.232 -0.917 . . . . 0.44 110.207 -179.373 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.34 -44.06 97.82 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.128 -0.983 . . . . 0.29 109.044 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.39 -43.78 62.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.308 -0.87 . . . . 2.44 109.205 179.52 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.56 -46.55 89.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 1.74 109.77 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.11 -42.6 98.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.3 109.131 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.23 -52.58 64.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.27 -0.893 . . . . 1.22 109.389 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.71 -35.94 79.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 1.72 109.693 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.07 -51.57 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.243 -0.911 . . . . 0.27 109.629 -179.772 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.53 -46.35 90.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.29 109.344 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.27 -35.5 73.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.307 -0.871 . . . . 1.91 109.408 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.33 -52.18 59.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.316 -0.865 . . . . 0.41 109.469 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -63.28 -46.73 85.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.412 -0.805 . . . . 1.56 109.102 179.787 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.546 -0.721 . . . . 1.43 109.786 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.66 109.743 -179.702 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 1.18 109.771 -179.859 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.312 0.577 . . . . 1.61 109.613 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.81 159.35 15.09 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.908 . . . . 0.57 109.57 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -139.37 -171.57 3.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.53 109.246 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -150.53 148.87 29.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.588 -0.894 . . . . 0.38 108.588 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.9 tp -142.2 135.58 29.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.273 -0.892 . . . . 0.36 109.773 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.61 130.8 34.68 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.537 -0.912 . . . . 1.36 108.537 178.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -123.42 111.87 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.535 -0.728 . . . . 0.49 109.132 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.91 146.56 43.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.603 -0.686 . . . . 2.1 110.019 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 135.59 5.81 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.04 -49.03 10.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -1.098 . . . . 2.72 109.71 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.25 -40.57 77.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 2.21 109.19 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.2 -41.59 97.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.266 -0.896 . . . . 2.79 109.351 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.06 -56.35 20.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.45 109.944 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -37.04 46.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.68 109.911 -179.704 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.97 63.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.217 -0.927 . . . . 0.43 110.193 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.43 -43.94 97.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.187 -0.945 . . . . 0.28 109.055 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.48 -43.75 62.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.867 . . . . 2.52 109.196 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.55 -46.59 89.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 1.75 109.708 -179.848 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.19 -42.5 98.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 0.31 109.15 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.25 -52.58 64.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.248 -0.908 . . . . 1.21 109.361 179.602 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.77 -35.87 79.4 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 1.69 109.692 -179.793 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.16 -51.47 69.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 0.27 109.651 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.61 -46.0 91.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.215 -0.928 . . . . 0.3 109.328 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -35.45 74.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.288 -0.883 . . . . 1.93 109.425 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.27 -52.09 60.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.355 -0.841 . . . . 0.4 109.399 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -63.45 -46.81 84.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.386 -0.822 . . . . 1.59 109.169 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.94 -36.53 74.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.547 -0.72 . . . . 1.43 109.806 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.155 -0.965 . . . . 0.65 109.743 -179.633 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.232 0.539 . . . . 2.11 109.662 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -94.73 159.32 15.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.869 . . . . 0.64 109.698 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -139.36 -171.59 3.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.407 -0.808 . . . . 0.49 109.273 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.59 148.68 28.94 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.665 -0.865 . . . . 0.47 108.665 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.0 tp -142.04 135.61 29.39 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.379 -0.825 . . . . 0.42 109.764 -178.622 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.65 130.73 34.68 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.561 -0.903 . . . . 1.81 108.561 178.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.4 111.85 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.42 109.099 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.85 146.53 44.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.575 -0.703 . . . . 2.35 110.089 -179.647 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.68 135.85 5.91 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.769 -1.333 . . . . 0.41 109.769 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.33 -49.03 10.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 2.59 109.636 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.28 -40.54 77.98 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.15 -0.969 . . . . 2.54 109.159 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -64.22 -41.64 96.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.94 . . . . 3.39 109.338 179.767 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.02 -56.43 19.89 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.574 -0.704 . . . . 0.47 109.893 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.35 -37.1 46.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 1.66 109.875 -179.658 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.98 63.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.61 110.164 -179.299 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.39 -44.02 97.87 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.144 -0.972 . . . . 0.33 109.025 -179.734 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.4 -43.79 62.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 3.28 109.248 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.52 -46.58 89.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.78 109.749 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.22 -42.5 98.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 0.38 109.121 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -58.29 -52.57 65.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.2 109.305 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -61.77 -35.84 79.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.363 -0.836 . . . . 2.12 109.713 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.14 -51.55 69.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.26 109.642 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.46 -46.0 91.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.4 109.387 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.67 -35.45 74.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 2.09 109.415 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.3 -52.06 60.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.391 -0.818 . . . . 0.75 109.454 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -63.37 -46.95 84.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.435 -0.79 . . . . 2.19 109.135 179.704 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.89 -36.49 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.488 -0.758 . . . . 1.34 109.813 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.72 109.741 -179.682 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.243 0.544 . . . . 1.67 109.681 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -94.72 159.46 15.05 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.61 109.621 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.47 -171.54 3.16 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.56 109.211 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.62 148.64 28.87 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.656 -0.868 . . . . 0.43 108.656 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.98 135.64 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.35 109.749 -178.598 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.64 130.77 34.67 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.559 -0.904 . . . . 1.37 108.559 178.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.38 111.87 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.471 -0.768 . . . . 0.48 109.101 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.95 146.55 43.83 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.578 -0.701 . . . . 2.08 110.015 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.65 135.56 5.79 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.776 -1.329 . . . . 0.4 109.776 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -81.96 -49.12 10.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -1.099 . . . . 2.64 109.687 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.23 -40.5 77.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.102 -0.999 . . . . 2.22 109.186 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.33 -41.55 96.75 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.233 -0.917 . . . . 2.74 109.316 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.03 -56.39 20.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.578 -0.701 . . . . 0.43 109.91 -179.745 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.44 -37.07 46.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 1.69 109.829 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.26 -51.95 64.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.208 -0.932 . . . . 0.43 110.234 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.37 -44.01 97.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -0.949 . . . . 0.27 109.084 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.4 -43.77 62.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.256 -0.903 . . . . 2.45 109.241 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.56 -46.6 89.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.356 -0.84 . . . . 1.75 109.705 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.08 -42.67 98.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.31 109.104 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.24 -52.59 64.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.895 . . . . 1.22 109.371 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.72 -35.85 79.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.73 109.689 -179.846 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -51.51 69.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.89 . . . . 0.28 109.65 -179.775 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.51 -46.37 90.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.26 -0.9 . . . . 0.31 109.335 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.21 -35.59 73.89 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.34 -0.85 . . . . 1.91 109.432 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.31 -52.14 59.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.822 . . . . 0.43 109.497 -179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.425 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -63.3 -46.76 85.21 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.386 -0.821 . . . . 1.57 109.089 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.02 -36.61 75.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.561 -0.712 . . . . 1.44 109.772 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.23 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 0.64 109.719 -179.646 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.322 -0.861 . . . . 1.21 109.792 -179.89 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.538 -0.542 . . . . 1.7 109.538 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.32 155.23 17.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.289 -0.882 . . . . 0.61 109.509 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.97 -171.29 2.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.443 -0.786 . . . . 0.58 109.443 -179.763 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.75 148.65 28.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.365 -0.834 . . . . 0.42 108.819 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.2 133.79 28.55 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.302 -0.874 . . . . 0.36 109.817 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.8 127.48 34.15 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.56 -0.904 . . . . 1.37 108.56 179.266 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.9 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.459 -0.776 . . . . 0.47 109.444 -179.465 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.411 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.8 ttt-85 -75.65 151.2 37.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 2.1 109.685 179.759 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.45 131.92 3.98 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.121 -1.192 . . . . 0.42 110.121 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.02 -48.61 12.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -1.07 . . . . 2.68 109.189 179.743 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.37 -43.32 88.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 2.22 108.974 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.51 -42.21 98.5 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.478 -0.764 . . . . 2.77 109.189 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.44 -55.67 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.611 -0.681 . . . . 0.43 109.727 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.84 -36.62 48.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.319 -0.863 . . . . 1.66 109.947 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.23 67.44 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.221 -0.924 . . . . 0.44 110.237 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.08 -43.71 98.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.078 -1.014 . . . . 0.29 108.95 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.37 -45.4 62.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.346 -0.846 . . . . 2.44 109.514 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.58 -45.33 94.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.265 -0.897 . . . . 1.74 109.952 -179.793 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.26 -43.72 98.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.127 -0.983 . . . . 0.3 109.428 -179.83 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.437 ' O ' ' OE2' ' A' ' 349' ' ' GLU . 40.3 t30 -58.98 -50.13 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.904 . . . . 1.22 109.534 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.93 -34.3 74.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 1.72 109.912 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.12 -48.6 81.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.27 109.953 -179.647 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.96 -47.15 86.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.941 . . . . 0.29 109.552 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 349' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 349' ' ' GLU . 0.1 OUTLIER -55.41 -39.07 69.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.09 -1.006 . . . . 1.91 109.6 179.93 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -63.46 -41.77 98.63 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.089 -1.078 . . . . 0.41 108.089 179.519 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.75 -46.41 89.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 1.56 108.465 179.122 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.34 -29.0 63.63 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.248 0.547 . . . . 1.43 109.778 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.64 88.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.2 -0.938 . . . . 0.66 109.567 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 1.18 109.643 -179.954 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.522 -0.548 . . . . 1.61 109.522 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.25 155.05 17.67 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.57 109.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.85 -171.25 2.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.333 -0.854 . . . . 0.53 109.434 -179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.76 148.69 28.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.331 -0.856 . . . . 0.38 108.836 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -141.19 133.72 28.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.307 -0.87 . . . . 0.36 109.881 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.76 127.44 34.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.617 -0.883 . . . . 1.36 108.617 179.219 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.97 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.501 -0.749 . . . . 0.49 109.424 -179.479 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -75.62 151.17 37.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.427 -0.796 . . . . 2.1 109.725 179.726 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.48 131.93 4.0 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.15 -1.18 . . . . 0.44 110.15 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -80.98 -48.69 11.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -1.104 . . . . 2.72 109.163 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.27 -43.36 87.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.095 -1.003 . . . . 2.21 109.023 179.757 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -63.57 -42.18 98.35 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.365 -0.835 . . . . 2.79 109.201 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -55.4 -55.59 29.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.628 -0.67 . . . . 0.45 109.765 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.96 -36.59 50.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.266 -0.896 . . . . 1.68 109.907 -179.561 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.1 -51.24 67.36 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.219 -0.926 . . . . 0.43 110.156 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.06 -43.65 98.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.125 -0.985 . . . . 0.28 109.055 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.49 -45.19 62.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.345 -0.847 . . . . 2.52 109.55 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.78 -45.21 95.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.872 . . . . 1.75 109.908 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.31 109.493 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.439 ' O ' ' OE2' ' B' ' 349' ' ' GLU . 40.3 t30 -59.11 -50.08 75.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 1.21 109.475 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -34.35 74.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.158 -0.964 . . . . 1.69 109.843 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.05 -48.73 80.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.19 -0.944 . . . . 0.27 109.942 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.77 -47.19 86.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.3 109.61 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 349' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 349' ' ' GLU . 0.1 OUTLIER -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 1.93 109.547 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -63.48 -41.81 98.58 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.031 -1.1 . . . . 0.4 108.031 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.18 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.537 -0.912 . . . . 1.59 108.537 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.33 -29.12 63.69 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.284 0.564 . . . . 1.43 109.757 179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.65 109.592 -179.808 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 2.11 109.539 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -93.34 155.16 17.56 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.209 -0.932 . . . . 0.64 109.489 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.87 -171.22 2.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.386 -0.821 . . . . 0.49 109.418 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.83 148.52 27.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.47 108.884 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.15 133.85 28.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.268 -0.895 . . . . 0.42 109.84 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.86 127.39 34.13 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.64 -0.874 . . . . 1.81 108.64 179.279 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.86 114.89 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.489 -0.757 . . . . 0.42 109.47 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.8 ttt-85 -75.72 151.23 37.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.519 -0.738 . . . . 2.35 109.583 179.799 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.44 131.98 3.99 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.133 -1.187 . . . . 0.41 110.133 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.04 -48.64 11.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -1.071 . . . . 2.59 109.236 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.36 -43.24 88.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 2.54 108.993 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.6 -42.2 98.27 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.332 -0.855 . . . . 3.39 109.184 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -55.48 -55.53 30.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.636 -0.665 . . . . 0.47 109.776 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.94 -36.65 49.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.66 109.91 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.99 -51.32 67.32 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.61 110.184 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.08 -43.65 98.56 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.116 -0.99 . . . . 0.33 109.047 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.46 -45.28 62.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.227 -0.921 . . . . 3.28 109.548 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.62 -45.31 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 1.78 109.924 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.32 -43.68 98.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.942 . . . . 0.38 109.42 -179.807 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.45 ' O ' ' OE2' ' C' ' 349' ' ' GLU . 40.5 t30 -59.05 -50.03 75.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 1.2 109.502 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.94 -34.35 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.926 . . . . 2.12 109.872 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.11 -48.61 80.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.187 -0.946 . . . . 0.26 109.967 -179.638 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -47.07 86.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.4 109.607 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' C' ' 349' ' ' GLU . 0.1 OUTLIER -55.56 -39.02 70.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.038 -1.039 . . . . 2.09 109.531 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.558 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -63.44 -41.82 98.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.056 -1.09 . . . . 0.75 108.056 179.503 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.68 -46.4 89.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 2.19 108.538 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.27 -29.07 63.53 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.304 0.573 . . . . 1.34 109.832 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.72 109.67 -179.82 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.252 0.549 . . . . 1.67 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -93.22 155.15 17.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.3 -0.875 . . . . 0.61 109.619 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.96 -171.36 2.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.42 -0.8 . . . . 0.56 109.382 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 148.57 28.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.218 -0.926 . . . . 0.43 108.882 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.13 133.92 28.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.266 -0.896 . . . . 0.35 109.843 -178.814 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.93 127.39 34.15 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.584 -0.895 . . . . 1.37 108.584 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.3 mt -123.87 114.88 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.543 -0.723 . . . . 0.48 109.481 -179.449 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.8 ttt-85 -75.59 151.28 37.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.513 -0.742 . . . . 2.08 109.72 179.717 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.37 131.91 3.94 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.142 -1.183 . . . . 0.4 110.142 179.659 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.01 -48.55 12.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -1.098 . . . . 2.64 109.235 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.4 -43.29 88.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.193 -0.942 . . . . 2.22 109.017 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.418 -0.801 . . . . 2.74 109.222 179.604 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.653 -0.654 . . . . 0.43 109.785 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.78 -36.73 48.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.69 109.955 -179.675 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.18 67.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.23 -0.918 . . . . 0.43 110.237 -179.433 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.15 -43.59 98.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.226 -0.922 . . . . 0.27 109.034 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.47 -45.31 62.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.288 -0.883 . . . . 2.45 109.444 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.66 -45.23 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 1.75 109.972 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.37 -43.65 98.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.955 . . . . 0.31 109.477 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.452 ' O ' ' OE2' ' D' ' 349' ' ' GLU . 40.3 t30 -59.01 -50.09 75.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.117 -0.989 . . . . 1.22 109.545 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.98 -34.37 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 1.73 109.826 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.13 -48.63 80.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.293 -0.879 . . . . 0.28 109.94 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.74 -47.23 86.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.31 109.635 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 349' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' D' ' 349' ' ' GLU . 0.1 OUTLIER -55.39 -39.1 69.76 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.115 -0.991 . . . . 1.91 109.614 179.961 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.556 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -63.44 -41.8 98.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.077 -1.083 . . . . 0.43 108.077 179.51 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.16 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.502 -0.925 . . . . 1.57 108.502 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.32 -29.15 63.7 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.266 0.555 . . . . 1.44 109.721 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.64 89.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.235 -0.916 . . . . 0.64 109.597 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.237 -0.914 . . . . 1.21 109.567 -179.894 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.267 0.556 . . . . 1.7 109.507 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -95.46 150.0 20.78 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.273 -0.892 . . . . 0.61 109.989 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.05 137.55 32.99 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.453 -0.943 . . . . 0.58 108.453 178.876 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -95.92 163.22 13.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.379 -0.825 . . . . 0.42 109.326 -179.49 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.81 129.93 14.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.36 110.092 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.92 124.9 32.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.556 -0.905 . . . . 1.37 108.556 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.1 117.02 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.496 -0.752 . . . . 0.47 109.669 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.48 156.84 34.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.468 -0.77 . . . . 2.1 109.881 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.8 136.99 3.19 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.332 -1.107 . . . . 0.42 110.332 179.093 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.48 -47.01 12.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.353 -1.086 . . . . 2.68 109.037 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.49 -45.19 89.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 2.22 109.074 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.5 -44.06 96.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.386 -0.821 . . . . 2.77 109.281 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.2 -57.8 9.79 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.513 -0.742 . . . . 0.43 109.537 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.1 -39.97 60.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.4 -0.812 . . . . 1.66 109.802 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.37 -49.61 73.15 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.318 -0.864 . . . . 0.44 110.193 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.41 97.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.29 109.138 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.21 -42.76 61.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.186 -0.946 . . . . 2.44 109.362 179.623 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.14 -44.62 97.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 1.74 109.859 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.51 -44.11 97.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.3 109.131 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.55 -52.76 64.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 1.22 109.535 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.49 -35.8 81.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 1.72 109.994 -179.745 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.34 65.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.27 110.239 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.53 -43.1 99.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 0.29 109.599 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.19 -34.99 72.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.165 -0.96 . . . . 1.91 109.514 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.66 -48.72 73.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.304 -0.873 . . . . 0.41 109.695 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.44 -42.94 99.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.312 -0.868 . . . . 1.56 108.97 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 352' ' ' ASP . . . . . 0.451 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 50.6 m-20 -55.95 -32.85 64.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.567 -0.708 . . . . 1.43 109.419 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -54.3 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.372 -0.83 . . . . 0.66 110.135 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 1.18 110.224 -179.134 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.492 -0.558 . . . . 1.61 109.492 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -95.43 149.92 20.87 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.57 109.986 -179.81 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.05 137.58 33.01 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.428 -0.953 . . . . 0.53 108.428 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -95.78 163.28 13.24 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.311 -0.868 . . . . 0.38 109.312 -179.422 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.93 129.84 14.31 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.862 . . . . 0.36 110.093 -179.119 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.91 124.84 32.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.573 -0.899 . . . . 1.36 108.573 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.02 117.14 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.529 -0.732 . . . . 0.49 109.62 -179.362 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -75.65 156.96 34.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.833 . . . . 2.1 109.796 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.88 3.16 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.311 -1.116 . . . . 0.44 110.311 179.096 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.4 -47.04 12.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -1.036 . . . . 2.72 109.056 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.44 -45.28 88.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 2.21 109.041 179.556 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 22.9 ttm180 -60.55 -43.87 96.74 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.356 -0.84 . . . . 2.79 109.257 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.33 -57.86 9.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.543 -0.723 . . . . 0.45 109.484 -179.879 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.03 -39.96 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.344 -0.848 . . . . 1.68 109.858 -179.589 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.5 -49.43 73.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.267 -0.896 . . . . 0.43 110.19 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.28 -44.53 97.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.28 109.065 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.1 -42.84 60.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.945 . . . . 2.52 109.382 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.06 -44.68 97.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 1.75 109.851 -179.718 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -44.07 97.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.31 109.112 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.67 -52.65 64.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 1.21 109.528 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.51 -35.89 81.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 1.69 109.926 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -52.36 65.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.858 . . . . 0.27 110.16 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.4 -43.15 99.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.986 . . . . 0.3 109.628 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.23 -35.09 73.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 1.93 109.412 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -48.79 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.4 109.691 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.36 -42.91 99.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 1.59 109.017 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -56.0 -32.75 64.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.607 -0.683 . . . . 1.43 109.456 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.65 110.156 -179.571 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.344 0.592 . . . . 2.11 109.514 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -95.41 149.8 20.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.176 -0.952 . . . . 0.64 110.061 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -140.91 137.54 33.22 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.437 -0.949 . . . . 0.49 108.437 178.805 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.5 p -95.69 163.28 13.25 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.335 -0.853 . . . . 0.47 109.367 -179.509 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.92 129.94 14.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.953 . . . . 0.42 110.027 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.95 124.8 32.08 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.641 -0.874 . . . . 1.81 108.641 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.05 117.13 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 121.558 -0.714 . . . . 0.42 109.695 -179.391 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.63 156.92 34.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.77 . . . . 2.35 109.817 179.881 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.87 3.17 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.346 -1.101 . . . . 0.41 110.346 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.35 -47.08 12.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -1.032 . . . . 2.59 109.036 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.51 -45.25 89.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.877 . . . . 2.54 108.966 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.451 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 22.9 ttm180 -60.57 -43.87 96.82 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.354 -0.841 . . . . 3.39 109.276 179.729 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.34 -57.8 9.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.724 . . . . 0.47 109.533 -179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.09 -39.94 60.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 1.66 109.796 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.45 -49.53 73.3 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.21 -0.931 . . . . 0.61 110.175 -179.345 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.47 97.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.095 -1.003 . . . . 0.33 109.099 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.24 -42.85 61.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.25 -0.906 . . . . 3.28 109.358 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.97 -44.7 96.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.78 109.942 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.37 -44.2 97.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.38 109.096 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.63 -52.63 64.86 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.273 -0.892 . . . . 1.2 109.561 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.54 -35.87 81.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.381 -0.824 . . . . 2.12 110.008 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.44 65.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.26 110.214 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.5 -42.97 99.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.132 -0.98 . . . . 0.4 109.697 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.32 -34.98 72.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.09 109.498 179.91 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.59 -48.83 73.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 0.75 109.686 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.42 -42.88 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 2.19 108.966 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.534 -0.728 . . . . 1.34 109.465 179.756 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 0.72 110.139 -179.615 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.409 -0.589 . . . . 1.67 109.409 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -95.37 149.97 20.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.61 109.976 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.06 137.66 33.04 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.403 -0.962 . . . . 0.56 108.403 178.782 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -95.87 163.09 13.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 0.43 109.442 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.8 129.92 14.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.35 110.0 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.88 124.84 32.09 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.668 -0.864 . . . . 1.37 108.668 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.05 117.02 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.534 -0.728 . . . . 0.48 109.765 -179.379 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -75.46 156.79 34.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.493 -0.754 . . . . 2.08 109.867 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.88 136.94 3.21 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.351 -1.1 . . . . 0.4 110.351 179.063 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.47 -46.94 12.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.42 -1.047 . . . . 2.64 109.104 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.59 -45.15 89.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 2.22 108.964 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.418 -0.801 . . . . 2.74 109.283 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -54.3 -57.71 10.17 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.495 -0.753 . . . . 0.43 109.554 -179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.17 -39.9 60.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.359 -0.838 . . . . 1.69 109.797 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.48 -49.45 73.55 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.257 -0.902 . . . . 0.43 110.222 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.37 -44.33 97.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.0 . . . . 0.27 109.12 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.23 -42.85 61.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 2.45 109.326 179.641 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.05 -44.63 97.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.75 109.881 -179.691 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.48 -44.07 97.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.142 -0.974 . . . . 0.31 109.161 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.69 -52.57 65.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.22 109.587 179.765 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.6 -35.82 81.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.73 110.01 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.36 65.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.28 110.253 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.56 -43.07 99.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.964 . . . . 0.31 109.59 -179.672 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.2 -35.04 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 1.91 109.469 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.64 -48.85 73.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.43 109.588 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.35 -42.94 99.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.28 -0.888 . . . . 1.57 108.995 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 50.4 m-20 -56.01 -32.77 64.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.582 -0.699 . . . . 1.44 109.426 179.733 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.21 18.41 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.388 -0.82 . . . . 0.64 110.168 -179.558 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 1.21 110.265 -179.19 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.263 0.554 . . . . 1.7 109.62 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.74 149.53 21.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.218 -0.926 . . . . 0.61 109.654 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -140.18 138.37 35.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.319 -0.863 . . . . 0.58 108.947 179.407 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.95 163.35 12.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.42 109.062 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.9 tp -149.33 134.01 17.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.083 -1.01 . . . . 0.36 110.088 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -84.99 125.59 32.83 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.726 -0.842 . . . . 1.37 108.726 179.376 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.85 111.62 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.584 -0.698 . . . . 0.47 109.41 -179.603 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 32.8 ttt-85 -74.66 156.29 36.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 2.1 109.854 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.76 138.56 4.19 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.17 -1.172 . . . . 0.42 110.17 179.474 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -85.2 -48.41 9.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.383 -1.069 . . . . 2.68 109.41 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.7 -44.17 90.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 2.22 109.332 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.49 -44.11 97.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.326 -0.859 . . . . 2.77 109.271 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.8 -57.49 10.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.645 -0.66 . . . . 0.43 109.606 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -51.11 -38.56 52.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 1.66 109.791 -179.695 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.09 -51.21 67.48 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.315 -0.865 . . . . 0.44 110.24 -179.271 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.93 -42.9 99.05 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.29 109.121 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.63 -42.94 62.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.197 -0.939 . . . . 2.44 109.241 179.649 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.02 -45.56 94.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.367 -0.833 . . . . 1.74 109.844 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.08 -43.18 99.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 0.3 109.228 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.03 -51.3 70.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.22 109.523 179.775 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.94 -37.32 86.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.72 109.732 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.88 -52.44 65.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.889 . . . . 0.27 109.921 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.2 -44.64 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 0.29 109.477 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.3 -35.2 73.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 1.91 109.368 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.8 -51.82 60.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.377 -0.827 . . . . 0.41 109.29 -179.904 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.436 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.57 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 1.56 109.123 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -35.49 69.56 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.594 -0.691 . . . . 1.43 109.529 179.773 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.86 80.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.66 109.711 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.18 109.612 -179.783 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.292 0.567 . . . . 1.61 109.56 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.71 149.42 21.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.57 109.743 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -140.2 138.27 35.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.306 -0.871 . . . . 0.53 109.038 179.375 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 30.4 p -97.85 163.23 12.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.43 -0.794 . . . . 0.38 109.044 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.2 tp -149.28 134.01 17.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.123 -0.986 . . . . 0.36 110.035 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.63 32.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.36 108.762 179.369 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.86 111.66 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.58 -0.7 . . . . 0.49 109.397 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.411 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 32.9 ttt-85 -74.71 156.29 36.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.475 -0.765 . . . . 2.1 109.758 179.849 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.8 138.62 4.24 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.117 -1.193 . . . . 0.44 110.117 179.411 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.18 -48.56 9.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -1.058 . . . . 2.72 109.403 179.766 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.62 -44.12 89.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 2.21 109.417 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.57 -43.98 97.87 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.222 -0.924 . . . . 2.79 109.262 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -53.91 -57.47 10.83 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.534 -0.729 . . . . 0.45 109.577 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.04 -38.59 52.38 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 1.68 109.88 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.15 -51.11 67.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.2 -0.938 . . . . 0.43 110.2 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.08 -42.88 99.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.28 109.044 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.56 -42.96 62.23 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.934 . . . . 2.52 109.285 179.604 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -61.05 -45.57 94.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.851 . . . . 1.75 109.808 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.03 -43.19 99.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.31 109.286 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -58.12 -51.18 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.251 -0.906 . . . . 1.21 109.526 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.0 -37.31 86.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 1.69 109.719 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.9 -52.34 66.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 0.27 109.942 -179.583 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.24 -44.65 96.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 0.3 109.493 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.33 -35.03 73.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.318 -0.864 . . . . 1.93 109.482 179.897 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -64.91 -51.87 59.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.4 109.229 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -61.5 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.872 . . . . 1.59 109.16 179.77 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -35.61 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.592 -0.692 . . . . 1.43 109.414 179.818 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 0.65 109.696 -179.729 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.278 0.561 . . . . 2.11 109.529 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.74 149.46 21.46 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.228 -0.92 . . . . 0.64 109.744 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.18 138.38 35.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.4 -0.812 . . . . 0.49 108.939 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 30.5 p -97.91 163.32 12.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.47 109.054 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.29 134.02 17.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.056 -1.027 . . . . 0.42 110.04 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -85.12 125.67 32.98 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.691 -0.855 . . . . 1.81 108.691 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.89 111.72 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.581 -0.699 . . . . 0.42 109.403 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 32.7 ttt-85 -74.68 156.27 36.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.845 . . . . 2.35 109.782 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.58 4.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.219 -1.152 . . . . 0.41 110.219 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.1 -48.5 9.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.352 -1.087 . . . . 2.59 109.527 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -58.62 -44.15 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 2.54 109.409 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.55 -44.1 97.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.251 -0.906 . . . . 3.39 109.238 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -53.78 -57.48 10.74 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.525 -0.734 . . . . 0.47 109.651 179.915 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -51.16 -38.52 52.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.852 . . . . 1.66 109.778 -179.657 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.05 -51.27 67.36 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.297 -0.877 . . . . 0.61 110.188 -179.3 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.93 -42.95 99.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.101 -1.0 . . . . 0.33 109.067 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.56 -43.0 62.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.153 -0.967 . . . . 3.28 109.208 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -60.93 -45.66 93.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.388 -0.82 . . . . 1.78 109.853 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.91 -43.38 98.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.115 -0.99 . . . . 0.38 109.218 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -57.99 -51.31 70.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.263 -0.898 . . . . 1.2 109.512 179.835 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.96 -37.28 86.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 2.12 109.734 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.9 -52.36 66.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 0.26 109.957 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.3 mt -61.19 -44.71 96.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.119 -0.988 . . . . 0.4 109.485 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.33 -35.07 73.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 2.09 109.353 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.9 -51.85 59.68 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.75 109.247 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.56 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.267 -0.896 . . . . 2.19 109.113 179.831 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -35.49 69.63 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.599 -0.688 . . . . 1.34 109.417 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.72 109.685 -179.779 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.558 -0.534 . . . . 1.67 109.558 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -95.91 149.53 21.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.251 -0.906 . . . . 0.61 109.669 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -140.19 138.33 35.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.348 -0.845 . . . . 0.56 108.951 179.429 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.91 163.16 12.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.366 -0.834 . . . . 0.43 109.104 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 44.1 tp -149.24 134.0 17.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.143 -0.973 . . . . 0.35 110.059 -179.334 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.65 32.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.759 -0.83 . . . . 1.37 108.759 179.357 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.87 111.65 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.527 -0.733 . . . . 0.48 109.502 -179.601 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.419 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 32.8 ttt-85 -74.65 156.2 36.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.385 -0.822 . . . . 2.08 109.837 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.84 138.58 4.25 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.14 -1.184 . . . . 0.4 110.14 179.402 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.16 -48.5 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -1.061 . . . . 2.64 109.359 179.8 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.72 -44.12 90.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.22 109.329 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.58 -44.02 97.79 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.325 -0.859 . . . . 2.74 109.215 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.87 -57.49 10.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.545 -0.722 . . . . 0.43 109.597 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.1 -38.47 52.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 1.69 109.872 -179.68 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.13 -51.15 67.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.185 -0.947 . . . . 0.43 110.248 -179.366 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.03 -42.89 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.106 -0.996 . . . . 0.27 109.097 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.57 -42.91 62.22 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.255 -0.903 . . . . 2.45 109.273 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.03 -45.59 94.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.75 109.855 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.01 -43.26 99.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -0.911 . . . . 0.31 109.233 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.05 -51.28 70.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 1.22 109.531 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.97 -37.19 86.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 1.73 109.841 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -52.43 65.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.28 109.96 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.23 -44.63 96.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.31 109.47 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.31 -35.12 73.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.893 . . . . 1.91 109.441 179.888 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.93 -51.73 60.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.43 109.248 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.0 ttmp? -61.64 -43.15 99.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.239 -0.913 . . . . 1.57 109.12 179.765 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -35.51 69.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 1.44 109.474 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.79 80.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 0.64 109.798 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 1.21 109.662 -179.887 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.294 0.568 . . . . 1.7 109.603 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.24 153.93 18.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.25 -0.906 . . . . 0.61 109.39 179.788 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.17 -173.02 3.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.314 -0.866 . . . . 0.58 109.308 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -150.82 153.14 34.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.239 -0.913 . . . . 0.42 108.957 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 30.1 tp -143.9 130.36 19.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.36 109.722 -178.845 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -85.74 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.792 . . . . 1.37 108.967 179.399 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.95 111.79 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.604 0.716 . . . . 0.47 109.391 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.25 121.23 22.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.621 -0.674 . . . . 2.1 109.49 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.29 134.47 4.73 Favored Glycine 0 N--CA 1.501 3.022 0 N-CA-C 110.084 -1.207 . . . . 0.42 110.084 179.512 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.94 -53.84 5.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -1.077 . . . . 2.68 109.117 179.5 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.73 -42.63 79.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 2.22 109.297 -179.897 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.53 -44.63 90.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.4 -0.813 . . . . 2.77 108.897 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.63 -50.27 70.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.595 -0.691 . . . . 0.43 109.66 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.91 -39.87 63.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.66 110.263 -179.438 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.58 -45.54 92.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.13 -0.982 . . . . 0.44 110.472 -179.277 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.61 -45.45 94.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.29 109.564 -179.547 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.53 -39.61 58.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.148 -0.97 . . . . 2.44 109.584 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.61 -53.54 56.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.74 109.865 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -60.39 -38.03 82.67 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.163 -0.96 . . . . 0.3 108.829 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -59.06 -55.16 38.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 1.22 109.624 179.614 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.69 -32.67 74.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.72 109.877 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.31 -52.63 64.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.192 -0.943 . . . . 0.27 110.13 -179.407 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.63 -41.41 97.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 0.29 109.744 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.01 -37.09 76.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.162 -0.961 . . . . 1.91 109.54 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.07 -52.04 61.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.41 109.239 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.1 ttmp? -60.62 -42.36 96.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 1.56 109.045 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.3 -39.17 75.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.577 -0.702 . . . . 1.43 109.715 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.98 66.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.66 109.839 -179.583 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.998 . . . . 1.18 109.447 -179.976 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.257 0.551 . . . . 1.61 109.606 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.16 153.93 18.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.294 -0.879 . . . . 0.57 109.45 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.16 -173.01 3.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.364 -0.835 . . . . 0.53 109.251 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.9 p -150.85 153.17 34.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.3 -0.875 . . . . 0.38 108.929 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.91 130.4 20.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.36 109.63 -178.824 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.7 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 1.36 108.946 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.99 111.95 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.52 -0.738 . . . . 0.49 109.355 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.3 121.3 22.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.69 . . . . 2.1 109.461 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.12 134.54 4.77 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.08 -1.208 . . . . 0.44 110.08 179.519 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -81.96 -53.9 5.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.409 -1.053 . . . . 2.72 109.08 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.72 -42.63 79.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.245 -0.909 . . . . 2.21 109.299 -179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.54 -44.64 90.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.331 -0.855 . . . . 2.79 108.82 179.447 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.61 -50.3 70.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.562 -0.711 . . . . 0.45 109.639 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.82 -40.02 62.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 1.68 110.241 -179.497 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.49 -45.65 92.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.197 -0.939 . . . . 0.43 110.441 -179.189 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.51 -45.46 94.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.958 . . . . 0.28 109.562 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.46 -39.7 57.98 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.163 -0.961 . . . . 2.52 109.545 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.6 -53.54 56.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 1.75 109.877 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.32 -38.1 82.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.169 -0.957 . . . . 0.31 108.883 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.94 -55.2 38.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.791 . . . . 1.21 109.644 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -63.74 -32.62 74.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 1.69 109.919 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.32 -52.58 65.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 0.27 110.163 -179.442 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.69 -41.3 97.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.3 109.713 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -59.14 -37.01 76.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.93 109.509 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.9 tt -64.1 -52.03 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 0.4 109.254 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.1 ttmp? -60.6 -42.32 96.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.845 . . . . 1.59 109.142 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -57.39 -39.17 75.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.484 -0.76 . . . . 1.43 109.655 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.307 -0.871 . . . . 0.65 109.914 -179.654 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.323 0.582 . . . . 2.11 109.591 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -93.26 153.92 18.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.188 -0.945 . . . . 0.64 109.358 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -138.14 -173.0 3.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.369 -0.832 . . . . 0.49 109.242 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -150.79 153.27 35.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.47 108.971 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.98 130.24 19.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.42 109.665 -178.803 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.64 129.8 34.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.403 -0.811 . . . . 1.81 108.977 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.96 111.85 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.484 -0.76 . . . . 0.42 109.37 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.26 121.26 22.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.681 . . . . 2.35 109.506 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.23 134.56 4.76 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 110.097 -1.201 . . . . 0.41 110.097 179.54 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -82.0 -53.86 5.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -1.088 . . . . 2.59 109.08 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.67 -42.76 79.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 2.54 109.253 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.342 -0.849 . . . . 3.39 108.829 179.559 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.62 -50.34 70.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.512 -0.742 . . . . 0.47 109.563 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.93 -39.85 63.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.285 -0.884 . . . . 1.66 110.227 -179.386 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.53 -45.64 92.02 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.136 -0.978 . . . . 0.61 110.464 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.48 -45.54 93.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.16 -0.963 . . . . 0.33 109.559 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.5 -39.62 57.94 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.188 -0.945 . . . . 3.28 109.562 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.64 -53.49 56.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 1.78 109.928 -179.67 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.24 -38.16 82.57 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.116 -0.99 . . . . 0.38 108.87 179.805 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.96 -55.25 37.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.45 -0.781 . . . . 1.2 109.631 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.62 -32.71 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 2.12 109.905 -179.678 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.32 -52.59 65.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 0.26 110.128 -179.373 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.66 -41.43 97.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 0.4 109.694 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.97 -37.12 76.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 2.09 109.552 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.07 -51.94 61.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.75 109.209 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.408 ' NZ ' ' CB ' ' C' ' 351' ' ' LYS . 3.1 ttmp? -60.69 -42.36 97.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 2.19 109.084 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.3 -39.21 75.27 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.538 -0.727 . . . . 1.34 109.701 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.72 109.916 -179.625 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.266 0.555 . . . . 1.67 109.646 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.2 153.84 18.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.232 -0.918 . . . . 0.61 109.417 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.13 -172.95 3.39 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.56 109.269 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -150.82 153.15 34.87 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.252 -0.905 . . . . 0.43 108.957 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.88 130.33 19.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.303 -0.873 . . . . 0.35 109.784 -178.858 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.72 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.398 -0.814 . . . . 1.37 108.971 179.354 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.01 111.86 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.624 0.726 . . . . 0.48 109.332 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.27 121.23 22.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.545 -0.722 . . . . 2.08 109.46 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.18 134.54 4.76 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 110.128 -1.189 . . . . 0.4 110.128 179.515 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.95 -53.83 5.82 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.463 -1.022 . . . . 2.64 109.173 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -56.77 -42.66 79.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 2.22 109.251 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.51 -44.63 90.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.353 -0.842 . . . . 2.74 108.866 179.492 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.55 -50.38 70.19 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.606 -0.684 . . . . 0.43 109.64 179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.89 -39.94 63.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.845 . . . . 1.69 110.253 -179.411 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -62.45 -45.64 92.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.162 -0.961 . . . . 0.43 110.469 -179.278 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.5 -45.52 93.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.27 109.554 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -51.51 -39.66 58.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.116 -0.99 . . . . 2.45 109.473 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.62 -53.49 56.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.615 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.27 -38.24 82.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.31 108.833 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.91 -55.21 38.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.418 -0.801 . . . . 1.22 109.635 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -63.68 -32.67 74.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 1.73 109.927 -179.712 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -52.67 64.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.28 110.179 -179.456 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.68 -41.38 97.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.31 109.719 -179.567 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -58.98 -37.09 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.12 -0.988 . . . . 1.91 109.514 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.15 -51.97 61.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.283 -0.885 . . . . 0.43 109.248 -179.898 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.62 -42.42 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.299 -0.876 . . . . 1.57 109.057 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.21 -39.3 75.19 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.499 -0.751 . . . . 1.44 109.679 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -26.95 66.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 0.64 109.906 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.206 -0.934 . . . . 1.21 109.362 -179.916 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.284 0.564 . . . . 1.7 110.036 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -95.71 160.31 14.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.302 -0.874 . . . . 0.61 109.244 179.403 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.2 -168.74 2.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.381 -0.824 . . . . 0.58 109.526 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.17 151.69 32.27 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.56 -0.904 . . . . 0.42 108.56 179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -144.82 136.85 25.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.36 109.825 -178.816 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -85.11 130.31 34.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.327 -0.99 . . . . 1.37 108.327 178.794 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.23 111.31 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 CA-C-O 121.669 0.747 . . . . 0.47 109.394 -179.578 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.76 143.12 46.2 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.689 -0.632 . . . . 2.1 109.856 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.12 133.8 7.42 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.205 -1.158 . . . . 0.42 110.205 179.462 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -80.89 -50.4 9.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.466 -1.02 . . . . 2.68 109.599 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.83 -40.81 85.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.949 -1.094 . . . . 2.22 109.071 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.2 -40.54 97.78 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.296 -0.878 . . . . 2.77 109.154 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.47 -55.81 27.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.628 -0.67 . . . . 0.43 109.872 -179.623 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.48 51.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 1.66 109.809 -179.695 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -53.3 54.73 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.235 -0.915 . . . . 0.44 110.172 -179.4 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.25 -44.08 97.83 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.074 -1.016 . . . . 0.29 109.106 -179.663 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.44 -45.46 62.68 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.292 -0.88 . . . . 2.44 109.525 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.81 -44.31 97.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.34 -0.85 . . . . 1.74 109.9 -179.732 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.37 -41.32 96.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.3 109.446 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -58.39 -52.79 64.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.22 109.458 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.98 -33.67 74.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 1.72 109.737 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -52.46 65.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 0.27 109.996 -179.434 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.1 -44.22 97.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.171 -0.955 . . . . 0.29 109.567 -179.739 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.26 -40.1 80.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.289 -0.882 . . . . 1.91 109.347 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.36 -37.75 88.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.149 -0.969 . . . . 0.41 109.157 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -41.18 98.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.904 0.859 . . . . 1.56 108.769 179.518 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.78 -34.77 65.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.621 -0.674 . . . . 1.43 109.504 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -32.57 73.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.66 109.354 179.831 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.313 -0.867 . . . . 1.18 109.757 -179.95 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.305 0.574 . . . . 1.61 110.076 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -95.66 160.38 14.53 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.274 -0.891 . . . . 0.57 109.284 179.391 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -139.15 -168.71 2.5 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.406 -0.809 . . . . 0.53 109.463 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.3 151.55 31.94 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.586 -0.894 . . . . 0.38 108.586 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.75 136.96 26.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.277 -0.889 . . . . 0.36 109.833 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.2 130.29 34.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.357 -0.979 . . . . 1.36 108.357 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.24 111.28 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.697 0.761 . . . . 0.49 109.389 -179.542 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.78 143.17 46.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.123 -0.631 . . . . 2.1 109.894 -179.725 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.14 133.9 7.47 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.193 -1.163 . . . . 0.44 110.193 179.5 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.0 -50.39 9.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.484 -1.009 . . . . 2.72 109.62 179.792 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.74 -40.97 85.36 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.918 -1.114 . . . . 2.21 109.052 179.705 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.6 98.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.29 -0.881 . . . . 2.79 109.163 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -55.52 -55.75 28.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.615 -0.678 . . . . 0.45 109.918 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.81 -37.48 51.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 1.68 109.779 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.33 -53.3 54.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.191 -0.943 . . . . 0.43 110.185 -179.396 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.24 -44.02 97.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.15 -0.969 . . . . 0.28 109.117 -179.661 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.57 -45.38 63.07 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.302 -0.874 . . . . 2.52 109.475 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.83 -44.32 97.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 1.75 109.876 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.44 -41.32 97.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.99 . . . . 0.31 109.387 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -58.34 -52.76 64.24 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.314 -0.866 . . . . 1.21 109.524 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.61 74.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.302 -0.874 . . . . 1.69 109.681 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.36 -52.48 65.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 0.27 109.998 -179.427 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.94 -44.24 97.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.3 109.623 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.3 -40.23 81.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 1.93 109.237 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.17 -37.66 88.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.281 -0.887 . . . . 0.4 109.176 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.75 -41.37 99.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.842 . . . . 1.59 108.799 179.379 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.76 -34.63 65.41 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.642 -0.662 . . . . 1.43 109.507 179.868 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.42 -0.8 . . . . 0.65 109.362 179.865 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.216 0.531 . . . . 2.11 110.088 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -95.83 160.29 14.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.64 109.303 179.385 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -139.1 -168.8 2.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.398 -0.814 . . . . 0.49 109.458 -179.597 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -151.17 151.62 32.17 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.555 -0.905 . . . . 0.47 108.555 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.73 137.05 26.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.42 109.734 -178.785 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.29 34.63 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 1.81 108.252 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.22 111.32 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 121.617 0.722 . . . . 0.42 109.323 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.81 143.16 46.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.685 -0.634 . . . . 2.35 109.837 -179.762 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.08 134.15 7.55 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 110.184 -1.166 . . . . 0.41 110.184 179.481 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -81.2 -50.39 9.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.507 -0.996 . . . . 2.59 109.605 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.72 -40.91 85.12 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.909 -1.119 . . . . 2.54 109.082 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.16 -40.61 98.03 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.327 -0.858 . . . . 3.39 109.211 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.39 -55.83 27.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.642 -0.661 . . . . 0.47 109.923 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.79 -37.52 51.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -0.897 . . . . 1.66 109.752 -179.687 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.3 -53.38 53.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.142 -0.974 . . . . 0.61 110.136 -179.384 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.2 -44.12 97.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.132 -0.98 . . . . 0.33 109.16 -179.657 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.45 -45.45 62.71 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.354 -0.841 . . . . 3.28 109.503 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.7 -44.52 96.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.78 109.9 -179.776 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.32 -41.35 96.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.141 -0.974 . . . . 0.38 109.385 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.291 -0.881 . . . . 1.2 109.489 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.67 74.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 2.12 109.651 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -52.52 65.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.324 -0.86 . . . . 0.26 109.988 -179.455 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.94 -44.24 97.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.4 109.6 -179.855 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.25 -40.17 81.09 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.323 -0.861 . . . . 2.09 109.297 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -37.74 88.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.75 109.09 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.66 -41.36 99.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.842 . . . . 2.19 108.827 179.357 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.7 -34.72 65.34 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.548 -0.72 . . . . 1.34 109.549 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.314 -0.866 . . . . 0.72 109.393 179.843 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.294 0.568 . . . . 1.67 110.023 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -95.73 160.33 14.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.307 -0.87 . . . . 0.61 109.296 179.406 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.21 -168.79 2.52 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.375 -0.828 . . . . 0.56 109.508 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.2 p -151.27 151.45 31.84 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.555 -0.906 . . . . 0.43 108.555 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.61 137.02 26.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.298 -0.876 . . . . 0.35 109.828 -178.743 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.28 34.63 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.331 -0.989 . . . . 1.37 108.331 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.636 0.731 . . . . 0.48 109.312 -179.527 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.91 143.22 45.86 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.691 -0.63 . . . . 2.08 109.802 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.15 133.95 7.49 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.173 -1.171 . . . . 0.4 110.173 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.08 -50.33 9.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -1.053 . . . . 2.64 109.594 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.79 -40.9 85.39 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.87 -1.143 . . . . 2.22 109.073 179.691 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.63 98.2 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.306 -0.872 . . . . 2.74 109.221 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.42 -55.8 27.54 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.683 -0.636 . . . . 0.43 109.928 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.52 51.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.325 -0.859 . . . . 1.69 109.758 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.33 -53.26 55.46 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.146 -0.971 . . . . 0.43 110.183 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.35 -43.96 97.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.27 109.105 -179.655 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.54 -45.46 62.99 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.36 -0.837 . . . . 2.45 109.483 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.7 -44.43 96.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 1.75 109.914 -179.761 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.4 -41.3 96.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.112 -0.993 . . . . 0.31 109.406 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.34 -52.8 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.266 -0.897 . . . . 1.22 109.487 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.15 -33.56 74.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 1.73 109.711 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.42 -52.36 65.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.28 109.999 -179.446 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.13 -44.13 97.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.217 -0.927 . . . . 0.31 109.532 -179.774 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.32 -40.16 81.33 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.274 -0.891 . . . . 1.91 109.276 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.35 -37.7 88.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.43 109.163 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.6 -41.4 98.95 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.957 0.884 . . . . 1.57 108.785 179.429 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.67 -34.8 65.33 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.559 -0.713 . . . . 1.44 109.483 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.55 73.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.349 -0.845 . . . . 0.64 109.324 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.846 . . . . 1.21 109.771 -179.972 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.199 0.523 . . . . 1.7 109.802 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.47 152.26 18.57 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.254 -0.904 . . . . 0.61 109.178 179.437 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.86 -175.16 3.87 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.884 . . . . 0.58 109.416 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -150.79 149.52 29.84 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.219 -0.926 . . . . 0.42 108.712 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.53 133.16 25.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.243 -0.911 . . . . 0.36 109.78 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.46 128.5 34.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.455 -0.778 . . . . 1.37 108.93 179.402 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.92 112.42 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.508 -0.745 . . . . 0.47 109.125 -179.772 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -75.72 151.3 37.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 2.1 109.651 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.57 9.67 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.115 -1.194 . . . . 0.42 110.115 179.523 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -83.14 -56.54 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.43 -1.041 . . . . 2.68 109.56 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -57.91 -38.18 75.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.22 109.493 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.32 -44.1 97.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.21 -0.932 . . . . 2.77 109.067 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.22 -53.78 53.13 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.595 -0.691 . . . . 0.43 109.551 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.78 56.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.431 -0.793 . . . . 1.66 110.063 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.13 -49.16 76.98 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.199 -0.938 . . . . 0.44 110.167 -179.428 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.18 -45.41 94.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 0.29 109.17 -179.835 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.2 -42.22 60.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 2.44 109.365 179.757 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.69 -50.25 74.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.74 109.652 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.97 -40.78 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 0.3 108.633 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.12 -54.32 48.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.539 -0.726 . . . . 1.22 109.649 179.676 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -61.68 -34.57 75.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.383 -0.823 . . . . 1.72 109.439 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.16 -51.67 68.75 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.356 -0.84 . . . . 0.27 109.639 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.45 -47.24 86.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -0.989 . . . . 0.29 108.957 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.22 -25.69 61.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 1.91 108.609 179.474 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -64.89 -58.2 6.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.463 -0.939 . . . . 0.41 108.463 179.624 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.91 89.53 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.864 0.84 . . . . 1.56 108.779 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.75 -33.45 70.28 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.376 0.608 . . . . 1.43 109.533 179.391 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.19 88.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.207 -0.933 . . . . 0.66 109.763 -179.673 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.199 -0.938 . . . . 1.18 109.52 -179.926 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.16 0.505 . . . . 1.61 109.769 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.53 152.3 18.55 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.289 -0.882 . . . . 0.57 109.164 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.8 -175.14 3.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.329 -0.857 . . . . 0.53 109.434 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -150.78 149.4 29.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.28 -0.888 . . . . 0.38 108.791 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.6 tp -142.39 133.37 25.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.36 109.831 -178.66 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.58 128.44 34.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.385 -0.822 . . . . 1.36 108.934 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.89 112.38 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.763 . . . . 0.49 109.143 -179.754 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.75 151.37 37.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.403 -0.811 . . . . 2.1 109.637 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.61 139.54 9.61 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.091 -1.203 . . . . 0.44 110.091 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.14 -56.59 3.7 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.472 -1.016 . . . . 2.72 109.46 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.95 -38.19 75.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 2.21 109.466 -179.898 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.1 97.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.233 -0.917 . . . . 2.79 109.029 179.795 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -56.21 -53.7 54.01 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.577 -0.702 . . . . 0.45 109.681 179.881 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.74 -38.8 56.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.322 -0.861 . . . . 1.68 110.0 -179.733 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.17 -49.17 76.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.168 -0.958 . . . . 0.43 110.147 -179.443 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.11 -45.38 94.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 0.28 109.226 -179.873 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.29 60.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 2.52 109.281 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.53 -50.29 74.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.297 -0.877 . . . . 1.75 109.656 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -40.78 94.73 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.638 -0.875 . . . . 0.31 108.638 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.21 -54.27 48.81 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.468 -0.77 . . . . 1.21 109.62 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.65 -34.74 76.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 1.69 109.378 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.06 -51.63 68.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.403 -0.811 . . . . 0.27 109.665 -179.913 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.47 -47.0 87.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 0.3 109.001 179.567 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -25.56 62.58 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.608 -0.886 . . . . 1.93 108.608 179.532 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -64.9 -58.25 6.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.47 -0.937 . . . . 0.4 108.47 179.562 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.94 89.63 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.806 -0.813 . . . . 1.59 108.806 -179.675 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.77 -33.45 70.31 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 109.476 -0.565 . . . . 1.43 109.476 179.371 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.863 . . . . 0.65 109.807 -179.682 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.243 0.544 . . . . 2.11 109.802 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.56 152.12 18.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.248 -0.908 . . . . 0.64 109.193 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.66 -175.06 3.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.354 -0.841 . . . . 0.49 109.395 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.73 149.46 29.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.243 -0.91 . . . . 0.47 108.742 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.0 tp -142.5 133.33 25.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.22 -0.925 . . . . 0.42 109.772 -178.726 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.58 128.49 34.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 1.81 108.954 179.38 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.96 112.42 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.579 -0.7 . . . . 0.42 109.115 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.372 -0.83 . . . . 2.35 109.57 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.54 9.6 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.148 -1.181 . . . . 0.41 110.148 179.558 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -83.09 -56.52 3.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.458 -1.024 . . . . 2.59 109.602 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -58.0 -38.21 75.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 2.54 109.442 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.01 97.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.265 -0.897 . . . . 3.39 109.118 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.3 -53.69 54.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.527 -0.733 . . . . 0.47 109.561 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.82 56.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 1.66 110.059 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.2 -49.19 76.76 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.61 110.081 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.11 -45.29 95.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.142 -0.974 . . . . 0.33 109.323 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.3 -42.16 60.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.22 -0.925 . . . . 3.28 109.367 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.74 -50.14 75.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 1.78 109.655 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.04 -40.72 94.71 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.19 -0.944 . . . . 0.38 108.636 179.652 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.26 -54.2 49.53 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.505 -0.747 . . . . 1.2 109.659 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.63 -34.78 76.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 2.12 109.408 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.01 -51.66 68.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.317 -0.865 . . . . 0.26 109.621 -179.881 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.51 -46.9 88.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.4 109.044 179.646 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.57 -25.59 62.7 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.542 -0.911 . . . . 2.09 108.542 179.524 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -64.86 -58.26 6.66 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.43 -0.952 . . . . 0.75 108.43 179.636 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.64 -40.96 89.39 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.852 0.834 . . . . 2.19 108.81 -179.669 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.76 -33.43 70.27 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.805 -0.559 . . . . 1.34 109.517 179.421 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.72 109.781 -179.687 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.225 0.536 . . . . 1.67 109.746 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -95.67 152.31 18.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 0.61 109.119 179.487 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.76 -175.13 3.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.275 -0.891 . . . . 0.56 109.404 -179.866 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.8 149.45 29.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 0.43 108.755 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.41 133.36 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -0.864 . . . . 0.35 109.8 -178.654 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.57 128.39 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.932 -0.766 . . . . 1.37 108.932 179.372 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.84 112.36 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.577 -0.702 . . . . 0.48 109.159 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.76 151.38 37.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 2.08 109.575 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.58 9.62 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.143 -1.183 . . . . 0.4 110.143 179.56 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.17 -56.55 3.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.483 -1.01 . . . . 2.64 109.541 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.94 -38.24 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 2.22 109.516 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.31 -44.03 97.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.291 -0.881 . . . . 2.74 109.059 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.24 -53.74 53.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.602 -0.686 . . . . 0.43 109.626 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.69 -38.84 56.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 1.69 110.007 -179.692 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.15 -49.18 76.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.147 -0.971 . . . . 0.43 110.124 -179.408 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.18 -45.29 95.21 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.207 -0.933 . . . . 0.27 109.237 -179.871 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.24 -42.28 60.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 2.45 109.343 179.69 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.66 -50.26 74.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.89 . . . . 1.75 109.572 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.89 -40.81 94.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.977 . . . . 0.31 108.693 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.19 -54.31 48.41 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.497 -0.752 . . . . 1.22 109.667 179.651 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.64 -34.55 75.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 1.73 109.404 -179.918 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.14 -51.67 68.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.896 . . . . 0.28 109.625 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.5 -47.29 86.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.146 -0.971 . . . . 0.31 108.911 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.19 -25.66 61.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.645 -0.872 . . . . 1.91 108.645 179.49 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -64.95 -58.18 6.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.469 -0.938 . . . . 0.43 108.469 179.608 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.67 -40.98 89.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.866 0.841 . . . . 1.57 108.732 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.7 -33.35 70.09 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.323 0.582 . . . . 1.44 109.537 179.408 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.64 109.694 -179.617 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 1.21 109.535 -179.947 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.283 0.563 . . . . 1.7 109.707 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -93.44 157.29 16.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.61 109.246 179.742 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.49 -170.61 2.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.284 -0.885 . . . . 0.58 109.695 -179.602 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.49 149.59 31.01 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.534 -0.913 . . . . 0.42 108.534 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.26 135.8 29.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.28 -0.888 . . . . 0.36 109.628 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.34 131.37 34.41 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.58 -0.896 . . . . 1.37 108.58 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.39 112.35 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.497 -0.752 . . . . 0.47 109.533 -179.462 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -74.99 138.78 42.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.635 -0.666 . . . . 2.1 109.314 179.524 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.04 135.22 8.82 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.716 -1.354 . . . . 0.42 109.716 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.04 -45.76 11.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.308 -1.113 . . . . 2.68 109.536 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.74 -42.72 93.82 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.18 -0.95 . . . . 2.22 109.656 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.492 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -66.46 -37.36 84.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.154 -0.966 . . . . 2.77 109.662 -179.751 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.88 -52.36 60.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.437 -0.789 . . . . 0.43 109.445 -179.846 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.77 -35.61 63.97 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.392 -0.817 . . . . 1.66 109.575 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.28 -53.17 53.11 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 0.44 110.515 -179.341 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.057 -1.027 . . . . 0.29 109.046 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.12 -45.87 61.71 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.286 -0.884 . . . . 2.44 109.408 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.48 -45.88 92.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 1.74 109.713 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.1 -42.46 98.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.895 . . . . 0.3 109.267 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.65 -50.83 72.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 1.22 109.41 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.49 -35.93 82.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.72 109.711 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.74 -56.11 26.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.27 109.973 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.93 -42.3 97.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.96 . . . . 0.29 109.371 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.56 -36.25 78.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 1.91 109.258 179.493 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.65 -49.89 71.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.854 . . . . 0.41 109.103 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -63.54 -49.13 74.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.377 -0.827 . . . . 1.56 108.852 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.14 -35.04 70.94 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.713 -0.617 . . . . 1.43 109.346 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.79 66.25 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.66 109.198 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 1.18 109.22 179.797 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.177 0.513 . . . . 1.61 109.792 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -93.44 157.24 16.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.57 109.344 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.47 -170.64 2.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.873 . . . . 0.53 109.715 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.57 149.47 30.75 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.5 -0.926 . . . . 0.38 108.5 -179.979 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -142.17 135.86 29.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.36 109.695 -178.633 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.36 131.45 34.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.522 -0.918 . . . . 1.36 108.522 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 112.24 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.389 -0.819 . . . . 0.49 109.563 -179.477 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.02 138.75 42.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.657 -0.652 . . . . 2.1 109.354 179.532 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.16 8.8 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.13 -45.54 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.276 -1.132 . . . . 2.72 109.597 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.89 -42.7 94.38 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.204 -0.935 . . . . 2.21 109.587 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.2 ttm-85 -66.41 -37.35 85.02 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.203 -0.935 . . . . 2.79 109.696 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -53.87 -52.4 60.58 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.45 109.497 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.71 -35.61 63.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.86 . . . . 1.68 109.619 179.932 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.24 -53.18 53.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.43 110.488 -179.35 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.21 -43.36 96.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.041 -1.037 . . . . 0.28 108.989 -179.652 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.17 -45.93 61.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 2.52 109.355 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.47 -45.78 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -0.913 . . . . 1.75 109.782 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.09 -42.47 98.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.31 109.243 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.66 -50.88 72.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.213 -0.929 . . . . 1.21 109.439 179.872 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.41 -35.98 82.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.356 -0.84 . . . . 1.69 109.725 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -56.01 27.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 0.27 109.973 -179.574 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.13 -42.17 98.05 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -0.946 . . . . 0.3 109.304 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.63 -36.2 78.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.239 -0.913 . . . . 1.93 109.255 179.497 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.71 -49.87 71.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.34 -0.85 . . . . 0.4 109.107 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.58 -49.04 74.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.359 -0.838 . . . . 1.59 108.851 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.25 -35.03 71.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.646 -0.659 . . . . 1.43 109.299 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.65 109.185 179.879 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.239 0.542 . . . . 2.11 109.656 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 157.3 16.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.256 -0.903 . . . . 0.64 109.292 179.692 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.43 -170.6 2.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.27 -0.894 . . . . 0.49 109.651 -179.501 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -149.59 149.6 30.94 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.472 -0.936 . . . . 0.47 108.472 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.24 135.73 29.14 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.231 -0.918 . . . . 0.42 109.7 -178.599 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.24 131.45 34.42 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.588 -0.893 . . . . 1.81 108.588 179.157 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.45 112.29 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 121.635 0.731 . . . . 0.42 109.548 -179.456 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.05 138.84 42.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.65 -0.656 . . . . 2.35 109.338 179.559 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.07 135.21 8.82 Favored Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.673 -1.371 . . . . 0.41 109.673 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -85.13 -45.61 11.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.361 -1.082 . . . . 2.59 109.527 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.83 -42.7 94.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 2.54 109.611 -179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.2 ttm-85 -66.53 -37.27 84.65 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.196 -0.94 . . . . 3.39 109.687 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -53.83 -52.48 60.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.359 -0.838 . . . . 0.47 109.399 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.83 -35.5 64.01 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.332 -0.855 . . . . 1.66 109.605 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.31 -53.14 53.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.294 -0.879 . . . . 0.61 110.457 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.15 -43.41 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.989 -1.069 . . . . 0.33 109.069 -179.739 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.1 -45.97 61.7 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.325 -0.86 . . . . 3.28 109.349 179.696 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.5 -45.77 92.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 1.78 109.719 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.17 -42.46 98.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.132 -0.98 . . . . 0.38 109.227 -179.896 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.6 -50.88 72.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.225 -0.922 . . . . 1.2 109.476 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.44 -35.97 82.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.12 109.728 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.8 -55.91 29.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.26 110.027 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.17 -42.13 98.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 0.4 109.354 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.73 -36.13 78.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.227 -0.921 . . . . 2.09 109.231 179.522 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.73 -49.9 71.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.75 109.072 179.844 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.48 -49.1 74.93 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 2.19 108.866 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.18 -35.1 71.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.638 -0.664 . . . . 1.34 109.262 179.767 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.851 . . . . 0.72 109.194 179.923 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.264 0.554 . . . . 1.67 109.7 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -93.45 157.34 16.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.175 -0.953 . . . . 0.61 109.238 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.53 -170.56 2.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.56 109.69 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -149.56 149.49 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.488 -0.93 . . . . 0.43 108.488 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.23 135.8 29.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.296 -0.877 . . . . 0.35 109.699 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.28 131.46 34.41 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.593 -0.892 . . . . 1.37 108.593 179.161 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.47 112.42 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.416 -0.803 . . . . 0.48 109.481 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.11 138.66 42.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.371 -0.603 . . . . 2.08 109.371 179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.16 135.14 8.79 Favored Glycine 0 N--CA 1.498 2.812 0 N-CA-C 109.685 -1.366 . . . . 0.4 109.685 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.06 -45.61 11.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.341 -1.093 . . . . 2.64 109.567 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.81 -42.86 94.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 2.22 109.522 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.1 ttm-85 -66.27 -37.41 85.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 2.74 109.688 -179.773 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -53.88 -52.43 60.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.43 109.474 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.78 -35.46 63.85 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.33 -0.856 . . . . 1.69 109.665 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.43 -53.02 54.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.361 -0.837 . . . . 0.43 110.482 -179.338 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.22 -43.44 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.27 109.067 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.04 -45.91 61.46 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 2.45 109.408 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.53 -45.81 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 1.75 109.716 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.09 -42.52 98.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.936 . . . . 0.31 109.23 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -58.63 -50.93 72.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.301 -0.875 . . . . 1.22 109.387 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.43 -35.98 82.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.311 -0.868 . . . . 1.73 109.754 -179.862 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.62 -56.02 27.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.28 110.035 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.23 -42.11 98.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.165 -0.959 . . . . 0.31 109.289 -179.719 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.75 -36.1 78.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.215 -0.928 . . . . 1.91 109.203 179.556 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.74 -49.75 71.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.43 109.106 179.875 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -63.55 -49.15 74.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.45 -0.781 . . . . 1.57 108.921 179.605 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.1 -35.17 71.04 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.634 -0.666 . . . . 1.44 109.285 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -24.79 66.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.337 -0.852 . . . . 0.64 109.23 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.864 . . . . 1.21 109.253 179.772 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.329 0.585 . . . . 1.7 109.767 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.48 157.6 15.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.237 -0.914 . . . . 0.61 109.312 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.08 -171.79 3.03 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.297 -0.877 . . . . 0.58 109.355 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.17 28.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.184 -0.947 . . . . 0.42 108.75 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.6 tp -141.43 135.22 30.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.308 -0.87 . . . . 0.36 109.574 -178.761 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.68 131.42 34.34 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.702 -0.851 . . . . 1.37 108.702 179.203 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.5 115.94 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.489 -0.757 . . . . 0.47 109.427 -179.525 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.05 151.44 38.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.546 -0.721 . . . . 2.1 109.698 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 136.93 3.94 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.273 -1.131 . . . . 0.42 110.273 179.347 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.46 -48.43 11.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 2.68 109.434 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.36 -40.09 85.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.27 -0.894 . . . . 2.22 109.496 179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.49 -40.65 97.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.27 -0.893 . . . . 2.77 109.398 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.29 -54.62 41.24 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.611 -0.68 . . . . 0.43 110.03 -179.78 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.72 -38.31 54.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 1.66 110.048 -179.685 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.46 -50.45 71.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.201 -0.937 . . . . 0.44 110.125 -179.272 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.12 -45.66 93.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.133 -0.98 . . . . 0.29 109.173 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.43 -40.78 60.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.193 -0.942 . . . . 2.44 109.467 179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.69 -53.67 54.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.74 109.881 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.15 -38.37 82.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.21 -0.931 . . . . 0.3 108.593 179.84 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.23 -55.0 40.49 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 1.22 109.524 179.576 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.35 -31.84 73.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 1.72 109.846 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.31 -51.01 71.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.305 -0.872 . . . . 0.27 109.911 -179.561 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.76 -43.28 99.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.171 -0.956 . . . . 0.29 109.313 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.22 -37.75 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.307 -0.871 . . . . 1.91 109.343 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.3 -39.97 94.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 0.41 108.87 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.48 -43.93 95.85 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.879 0.847 . . . . 1.56 108.806 179.338 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -54.76 -30.86 57.67 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.243 0.544 . . . . 1.43 109.72 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.58 40.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.66 109.452 -179.94 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.719 ' OE1' HD21 ' B' ' 350' ' ' LEU . 48.1 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 1.18 109.599 -179.912 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.319 0.581 . . . . 1.61 109.774 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.39 157.64 15.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.251 -0.906 . . . . 0.57 109.327 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.12 -171.86 3.05 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.53 109.332 -179.824 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.18 28.11 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.162 -0.961 . . . . 0.38 108.837 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -141.35 135.18 30.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.38 -0.825 . . . . 0.36 109.62 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.68 131.37 34.35 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.684 -0.858 . . . . 1.36 108.684 179.2 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.45 115.94 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.537 -0.727 . . . . 0.49 109.467 -179.53 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -75.07 151.44 38.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.499 -0.751 . . . . 2.1 109.666 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.82 3.89 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.26 -1.136 . . . . 0.44 110.26 179.323 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.38 -48.41 11.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -1.068 . . . . 2.72 109.422 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.22 -40.3 85.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 2.21 109.477 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.37 -40.68 97.9 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.25 -0.906 . . . . 2.79 109.386 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.4 -54.61 41.59 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.557 -0.714 . . . . 0.45 109.889 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -51.82 -38.27 55.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 1.68 109.952 -179.57 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.47 -50.45 71.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.265 -0.897 . . . . 0.43 110.201 -179.309 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.09 -45.67 93.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.109 -0.994 . . . . 0.28 109.23 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.44 -40.68 59.87 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.169 -0.957 . . . . 2.52 109.55 179.727 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.64 -53.87 52.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 1.75 109.829 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.01 -38.39 82.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.115 -0.991 . . . . 0.31 108.636 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.24 -54.98 40.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.497 -0.752 . . . . 1.21 109.577 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.29 -31.89 73.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 1.69 109.843 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.35 -50.94 71.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.27 109.99 -179.535 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.74 -43.29 99.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 0.3 109.325 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.26 -37.76 75.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 1.93 109.265 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.719 HD21 ' OE1' ' A' ' 354' ' ' GLN . 4.6 tp -64.24 -39.86 94.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 0.4 108.877 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.49 -44.04 95.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.403 -0.811 . . . . 1.59 108.938 179.145 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.8 -30.76 57.85 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.245 0.545 . . . . 1.43 109.744 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.65 109.486 -179.927 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.22 0.533 . . . . 2.11 109.819 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.45 157.67 15.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.234 -0.917 . . . . 0.64 109.296 179.663 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.09 -171.83 3.04 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.298 -0.876 . . . . 0.49 109.403 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.89 148.25 28.21 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.295 -0.878 . . . . 0.47 108.752 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.43 135.18 30.09 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.354 -0.841 . . . . 0.42 109.619 -178.729 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.71 131.47 34.33 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.609 -0.886 . . . . 1.81 108.609 179.217 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.4 mt -123.56 115.95 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.486 -0.759 . . . . 0.42 109.485 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.04 151.47 38.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 2.35 109.675 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.87 3.91 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.273 -1.131 . . . . 0.41 110.273 179.324 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.41 -48.47 11.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.408 -1.054 . . . . 2.59 109.456 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.211 -0.931 . . . . 2.54 109.501 179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.42 -40.65 97.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.25 -0.906 . . . . 3.39 109.46 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.34 -54.68 40.59 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.484 -0.76 . . . . 0.47 110.01 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.68 -38.3 54.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 1.66 110.053 -179.726 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.43 -50.49 71.3 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.183 -0.948 . . . . 0.61 110.155 -179.321 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.08 -45.71 93.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.242 -0.912 . . . . 0.33 109.189 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.39 -40.83 60.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 3.28 109.447 179.745 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.52 -53.85 52.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.228 -0.92 . . . . 1.78 109.9 -179.659 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.04 -38.42 82.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.139 -0.976 . . . . 0.38 108.63 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.15 -54.99 40.65 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.482 -0.761 . . . . 1.2 109.56 179.583 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.37 -31.89 73.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 2.12 109.789 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -51.0 71.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 0.26 109.906 -179.497 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 0.4 109.354 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -58.27 -37.76 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.09 109.263 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.712 HD21 ' OE1' ' D' ' 354' ' ' GLN . 4.5 tp -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 0.75 108.851 179.894 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.36 -44.17 95.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.351 -0.843 . . . . 2.19 108.987 179.135 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.81 -30.71 57.79 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.218 0.533 . . . . 1.34 109.787 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.72 109.482 -179.973 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.295 0.569 . . . . 1.67 109.737 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.51 157.58 15.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.215 -0.928 . . . . 0.61 109.289 179.648 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.94 -171.77 3.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.338 -0.851 . . . . 0.56 109.398 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 27.5 p -150.96 148.26 28.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.163 -0.96 . . . . 0.43 108.75 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.48 135.23 30.05 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.831 . . . . 0.35 109.544 -178.708 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.73 131.42 34.33 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.716 -0.846 . . . . 1.37 108.716 179.197 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.53 115.94 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.436 -0.79 . . . . 0.48 109.432 -179.504 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -74.94 151.39 38.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 2.08 109.722 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.36 136.99 3.98 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.172 -1.171 . . . . 0.4 110.172 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.58 -48.36 11.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.385 -1.067 . . . . 2.64 109.502 179.633 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -59.27 -40.24 85.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.291 -0.881 . . . . 2.22 109.492 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.38 -40.7 97.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.296 -0.878 . . . . 2.74 109.409 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -55.34 -54.58 41.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.605 -0.685 . . . . 0.43 109.958 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -51.83 -38.25 55.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.69 109.981 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.49 -50.35 71.76 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.18 -0.95 . . . . 0.43 110.227 -179.316 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -61.14 -45.62 93.89 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.27 109.211 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.45 -40.85 60.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.927 . . . . 2.45 109.441 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.54 -53.85 52.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.75 109.863 -179.597 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.07 -38.36 82.64 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.129 -0.982 . . . . 0.31 108.584 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.19 -54.96 40.98 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.53 -0.731 . . . . 1.22 109.548 179.592 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.45 -31.75 73.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.842 . . . . 1.73 109.857 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.34 -51.06 71.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.28 109.906 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.66 -43.28 99.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 0.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 1.91 109.287 179.881 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.29 -40.04 95.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.43 108.906 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.42 -43.98 95.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 1.57 108.831 179.296 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -54.78 -30.79 57.66 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.241 0.544 . . . . 1.44 109.77 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -52.56 40.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.64 109.477 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.712 ' OE1' HD21 ' C' ' 350' ' ' LEU . 48.3 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 1.21 109.622 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.566 -0.531 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -94.43 151.66 19.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.325 -0.86 . . . . 0.61 109.613 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.68 -170.43 2.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.332 -0.855 . . . . 0.58 109.393 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.98 148.04 27.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.547 -0.909 . . . . 0.42 108.547 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.68 135.26 27.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.335 -0.853 . . . . 0.36 109.928 -178.66 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -84.55 127.07 33.85 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.394 -0.965 . . . . 1.37 108.394 179.097 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.62 111.32 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.426 -0.796 . . . . 0.47 109.397 -179.543 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.9 ttt-85 -75.27 152.47 38.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.577 -0.702 . . . . 2.1 109.84 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.03 134.26 4.01 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.859 -1.297 . . . . 0.42 109.859 179.723 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.04 -46.71 17.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.402 -1.058 . . . . 2.68 109.374 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.03 -44.16 87.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 2.22 109.093 179.817 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -62.32 -43.56 98.53 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.249 -0.907 . . . . 2.77 108.961 179.425 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.45 11.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.67 -0.644 . . . . 0.43 109.686 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -52.08 -40.24 60.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.358 -0.838 . . . . 1.66 109.696 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.03 -51.66 65.87 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.29 -0.881 . . . . 0.44 110.059 -179.625 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -47.34 86.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.14 -0.975 . . . . 0.29 108.857 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.44 64.38 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.377 -0.827 . . . . 2.44 109.599 179.772 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.0 -43.43 95.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.247 -0.908 . . . . 1.74 109.984 -179.634 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.18 -40.51 94.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.127 -0.983 . . . . 0.3 109.069 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.44 -54.81 42.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.305 -0.872 . . . . 1.22 109.439 179.635 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.79 -36.71 84.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -0.9 . . . . 1.72 109.724 -179.891 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.08 51.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.27 109.928 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.69 -42.87 99.51 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.29 109.478 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.66 -34.51 72.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 1.91 109.59 179.902 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.03 -51.54 63.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 0.41 109.186 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.4 -46.26 90.88 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.274 -0.891 . . . . 1.56 109.217 179.836 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.23 -32.09 66.18 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.595 -0.691 . . . . 1.43 109.589 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.6 80.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.66 109.804 -179.701 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.897 . . . . 1.18 109.615 -179.843 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.268 0.556 . . . . 1.61 109.532 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -94.31 151.69 19.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.228 -0.92 . . . . 0.57 109.651 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -135.86 -170.46 2.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.329 -0.857 . . . . 0.53 109.386 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -152.03 147.83 26.97 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.552 -0.907 . . . . 0.38 108.552 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.8 tp -142.49 135.32 28.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.214 -0.929 . . . . 0.36 109.984 -178.703 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.56 127.09 33.87 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.428 -0.953 . . . . 1.36 108.428 179.089 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.61 111.23 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.529 -0.732 . . . . 0.49 109.377 -179.454 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.9 ttt-85 -75.22 152.48 38.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.555 -0.716 . . . . 2.1 109.794 -179.9 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.0 134.19 3.96 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.863 -1.295 . . . . 0.44 109.863 179.704 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.99 -46.66 17.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -1.111 . . . . 2.72 109.381 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.02 -44.23 87.19 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.234 -0.916 . . . . 2.21 109.102 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -62.24 -43.53 98.62 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.296 -0.878 . . . . 2.79 109.005 179.413 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.05 -57.45 11.65 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.629 -0.669 . . . . 0.45 109.654 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.13 61.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.68 109.645 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.13 -51.66 65.62 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 0.43 110.01 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.17 -47.48 85.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.28 108.823 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.96 -44.45 63.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.343 -0.848 . . . . 2.52 109.657 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 1.75 109.979 -179.651 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.19 -40.56 94.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.182 -0.949 . . . . 0.31 109.009 -179.965 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.36 -54.87 42.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 1.21 109.461 179.645 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -62.71 -36.77 84.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 1.69 109.741 -179.918 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.03 51.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.27 109.941 -179.592 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.3 109.436 -179.788 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.71 -34.52 73.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 1.93 109.582 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -63.93 -51.65 63.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.268 -0.895 . . . . 0.4 109.125 -179.894 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.37 -46.22 91.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.59 109.232 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 40.5 m-20 -57.27 -32.08 66.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.568 -0.708 . . . . 1.43 109.546 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.65 109.782 -179.656 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.565 -0.532 . . . . 2.11 109.565 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -94.32 151.79 19.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -0.907 . . . . 0.64 109.632 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -135.79 -170.49 2.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.346 -0.846 . . . . 0.49 109.354 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.98 148.06 27.29 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.531 -0.915 . . . . 0.47 108.531 179.856 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.9 tp -142.72 135.24 27.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.235 -0.916 . . . . 0.42 109.961 -178.688 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 127.16 33.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.412 -0.958 . . . . 1.81 108.412 179.127 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.67 111.28 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.491 -0.756 . . . . 0.42 109.337 -179.455 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.46 38.12 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.625 -0.672 . . . . 2.35 109.813 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.06 134.25 4.01 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.81 -1.316 . . . . 0.41 109.81 179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.0 -46.78 17.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -1.14 . . . . 2.59 109.343 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.05 -44.04 87.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.28 -0.887 . . . . 2.54 109.134 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -62.39 -43.51 98.65 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.298 -0.876 . . . . 3.39 108.944 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.07 -57.4 11.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.652 -0.655 . . . . 0.47 109.684 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -52.15 -40.15 60.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 1.66 109.677 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.11 -51.66 65.67 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.366 -0.834 . . . . 0.61 110.052 -179.622 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.19 -47.39 86.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.33 108.877 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.37 64.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.4 -0.812 . . . . 3.28 109.637 179.781 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.93 -43.58 94.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 1.78 110.006 -179.733 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.09 -40.45 93.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.38 109.122 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.48 -54.85 42.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.355 -0.841 . . . . 1.2 109.471 179.64 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.78 -36.73 84.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.348 -0.845 . . . . 2.12 109.733 -179.902 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.02 51.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.26 109.981 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.68 -42.78 99.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 0.4 109.527 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.75 -34.6 73.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.175 -0.953 . . . . 2.09 109.525 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.497 ' O ' HD23 ' C' ' 350' ' ' LEU . 2.1 tt -63.89 -51.63 63.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -0.898 . . . . 0.75 109.181 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.33 -46.27 90.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -0.863 . . . . 2.19 109.271 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 40.7 m-20 -57.17 -32.14 66.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.629 -0.669 . . . . 1.34 109.577 179.873 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.72 109.841 -179.664 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.526 -0.546 . . . . 1.67 109.526 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -94.34 151.62 19.27 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.61 109.621 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.73 -170.39 2.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.381 -0.825 . . . . 0.56 109.364 179.876 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -152.06 147.92 27.07 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.532 -0.914 . . . . 0.43 108.532 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.52 135.43 28.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -0.839 . . . . 0.35 109.957 -178.711 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.65 127.09 33.9 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.459 -0.941 . . . . 1.37 108.459 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.61 111.26 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.506 -0.746 . . . . 0.48 109.357 -179.433 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.48 38.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.624 -0.672 . . . . 2.08 109.806 -179.905 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.96 134.25 3.96 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.97 -46.76 17.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -1.135 . . . . 2.64 109.407 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.01 -44.16 87.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 2.22 109.047 179.809 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -62.27 -43.63 98.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.282 -0.886 . . . . 2.74 108.929 179.485 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.41 11.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.645 -0.659 . . . . 0.43 109.698 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.22 61.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.873 . . . . 1.69 109.636 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.01 -51.68 65.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.25 -0.906 . . . . 0.43 110.059 -179.614 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.18 -47.44 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.27 108.896 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.97 -44.46 64.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 2.45 109.647 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.97 -43.51 95.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 1.75 110.076 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.06 -40.5 93.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.12 -0.988 . . . . 0.31 109.099 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.43 -54.9 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.273 -0.892 . . . . 1.22 109.373 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -36.73 84.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.873 . . . . 1.73 109.745 -179.844 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.02 51.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.139 -0.976 . . . . 0.28 109.933 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.68 -42.87 99.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.31 109.462 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.68 -34.5 72.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.249 -0.907 . . . . 1.91 109.617 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.499 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.1 tt -63.97 -51.63 63.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.43 109.132 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.44 -46.22 91.01 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.314 -0.866 . . . . 1.57 109.206 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -57.2 -32.13 66.17 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.554 -0.716 . . . . 1.44 109.541 179.882 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.54 80.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.64 109.802 -179.687 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 1.21 109.65 -179.853 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.318 0.58 . . . . 1.7 109.711 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.68 155.94 16.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.279 -0.888 . . . . 0.61 109.79 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -135.86 -168.68 2.26 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.515 -0.741 . . . . 0.58 109.099 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.35 152.46 33.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.918 . . . . 0.42 108.86 -179.763 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 69.2 tp -143.04 135.74 27.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 0.36 109.883 -178.749 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.06 127.35 34.18 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.711 -0.848 . . . . 1.37 108.711 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.24 112.01 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.533 -0.729 . . . . 0.47 109.073 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.14 45.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.63 -0.669 . . . . 2.1 110.533 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.65 131.61 5.31 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.361 -1.096 . . . . 0.42 110.361 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.48 ' HG3' HH11 ' A' ' 335' ' ' ARG . 3.3 ttm-85 -80.01 -39.33 30.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 2.68 108.878 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 -49.38 77.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.243 -0.91 . . . . 2.22 109.205 179.688 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 10.8 ttm-85 -63.97 -36.37 83.75 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.255 -0.903 . . . . 2.77 109.741 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -51.99 -52.02 53.4 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.451 -0.78 . . . . 0.43 109.144 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 72.1 mm-40 -53.94 -38.56 65.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 1.66 109.297 179.383 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.45 -55.97 22.58 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.387 -0.82 . . . . 0.44 110.233 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.64 -48.23 82.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.29 109.28 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 8.6 ttm180 -52.26 -39.34 60.25 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.19 -0.944 . . . . 2.44 109.845 -179.804 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.22 -43.25 99.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.185 -0.947 . . . . 1.74 110.293 -179.433 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.34 -41.89 94.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.3 109.503 -179.552 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.74 -52.76 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.22 109.85 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 1.3 mp0 -62.46 -38.96 91.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.308 -0.87 . . . . 1.72 109.76 -179.496 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.21 66.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.27 109.687 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.41 -44.51 96.27 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.422 -0.799 . . . . 0.29 109.38 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.95 -34.49 71.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 1.91 109.417 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.35 -49.72 70.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.41 109.187 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.36 -48.55 75.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.413 -0.804 . . . . 1.56 108.932 179.587 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.61 -29.49 64.57 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.658 -0.651 . . . . 1.43 109.652 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.62 78.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.66 109.394 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.18 109.482 179.959 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.288 0.566 . . . . 1.61 109.735 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -95.59 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 0.57 109.848 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -135.78 -168.79 2.28 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.445 -0.784 . . . . 0.53 109.113 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.4 p -151.29 152.39 33.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.214 -0.929 . . . . 0.38 108.916 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.91 135.79 27.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.307 -0.871 . . . . 0.36 109.884 -178.743 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.16 127.39 34.24 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.643 -0.873 . . . . 1.36 108.643 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.27 112.07 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.477 -0.764 . . . . 0.49 109.061 -179.561 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.87 145.04 45.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.566 -0.709 . . . . 2.1 110.524 -179.288 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 131.51 5.32 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.428 -1.069 . . . . 0.44 110.428 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' B' ' 335' ' ' ARG . 3.3 ttm-85 -80.03 -39.15 30.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.536 -0.979 . . . . 2.72 108.966 179.312 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.69 -49.37 77.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.252 -0.905 . . . . 2.21 109.168 179.664 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.475 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 10.7 ttm-85 -63.99 -36.39 83.83 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.237 -0.915 . . . . 2.79 109.654 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -52.08 -51.89 54.81 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.351 -0.843 . . . . 0.45 109.162 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 72.3 mm-40 -53.98 -38.58 65.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.68 109.248 179.371 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -62.39 -55.99 22.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.439 -0.788 . . . . 0.43 110.211 -179.543 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.7 -48.33 82.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.28 109.213 179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 8.6 ttm180 -52.17 -39.38 59.98 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.266 -0.896 . . . . 2.52 109.848 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.26 -43.21 99.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.229 -0.919 . . . . 1.75 110.315 -179.439 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.3 -41.93 94.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.118 -0.989 . . . . 0.31 109.523 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.75 -52.77 64.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.21 109.864 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.91 91.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 1.69 109.815 -179.535 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.31 65.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.116 -0.99 . . . . 0.27 109.671 -179.631 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.31 -44.5 96.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.342 -0.849 . . . . 0.3 109.463 -179.872 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.91 -34.51 71.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.243 -0.911 . . . . 1.93 109.403 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.39 -49.73 70.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.4 109.058 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.39 -48.55 75.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.896 -0.779 . . . . 1.59 108.896 179.66 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.58 -29.52 64.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.68 -0.638 . . . . 1.43 109.661 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.198 -0.939 . . . . 0.65 109.435 -179.884 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.276 0.56 . . . . 2.11 109.808 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.69 155.92 16.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.64 109.835 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.83 -168.88 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.459 -0.775 . . . . 0.49 109.123 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -151.25 152.43 33.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.204 -0.935 . . . . 0.47 108.928 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.97 135.78 27.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.286 -0.884 . . . . 0.42 109.886 -178.697 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.19 127.31 34.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.694 -0.854 . . . . 1.81 108.694 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.2 112.11 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.534 -0.729 . . . . 0.42 109.039 -179.562 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.94 145.13 44.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.72 . . . . 2.35 110.474 -179.305 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 131.52 5.28 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.454 -1.059 . . . . 0.41 110.454 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' C' ' 335' ' ' ARG . 3.3 ttm-85 -79.98 -39.32 30.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.539 -0.977 . . . . 2.59 108.91 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.5 -49.42 77.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 2.54 109.243 179.667 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.479 ' HG3' ' NH1' ' C' ' 337' ' ' ARG . 10.8 ttm-85 -63.95 -36.44 83.97 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.21 -0.931 . . . . 3.39 109.755 -179.862 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.02 -51.96 53.94 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.47 109.104 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 72.3 mm-40 -53.94 -38.61 65.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 1.66 109.249 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.38 -56.08 21.73 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.24 -0.912 . . . . 0.61 110.221 -179.574 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.54 -48.33 82.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.33 109.33 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 8.6 ttm180 -52.19 -39.39 60.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.221 -0.925 . . . . 3.28 109.841 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.33 -43.14 99.38 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.148 -0.97 . . . . 1.78 110.277 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.33 -41.92 94.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.105 -0.997 . . . . 0.38 109.527 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.76 -52.77 64.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.131 -0.98 . . . . 1.2 109.888 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.94 91.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.915 . . . . 2.12 109.814 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.31 65.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 0.26 109.674 -179.638 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.21 -44.65 96.11 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.389 -0.82 . . . . 0.4 109.459 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.82 -34.52 71.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.368 -0.833 . . . . 2.09 109.481 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.34 -49.81 70.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 0.75 109.086 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.31 -48.58 75.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.443 -0.785 . . . . 2.19 108.936 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.62 -29.45 64.55 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.65 -0.656 . . . . 1.34 109.681 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.72 109.457 -179.96 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.299 0.571 . . . . 1.67 109.741 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -95.61 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.61 109.811 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.85 -168.82 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.39 -0.819 . . . . 0.56 109.162 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.3 152.27 32.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.18 -0.95 . . . . 0.43 108.956 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 69.5 tp -142.91 135.76 27.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.288 -0.883 . . . . 0.35 109.912 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.05 127.33 34.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.723 -0.843 . . . . 1.37 108.723 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.19 112.01 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.555 -0.715 . . . . 0.48 109.077 -179.566 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.16 45.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.555 -0.715 . . . . 2.08 110.511 -179.31 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.62 131.61 5.3 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.459 -1.056 . . . . 0.4 110.459 179.327 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' D' ' 335' ' ' ARG . 3.3 ttm-85 -80.0 -39.29 30.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.49 -1.006 . . . . 2.64 108.944 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.59 -49.41 77.65 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.155 -0.966 . . . . 2.22 109.147 179.737 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.472 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 10.6 ttm-85 -63.95 -36.45 84.01 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.245 -0.909 . . . . 2.74 109.717 -179.842 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -51.99 -51.96 53.77 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.312 -0.867 . . . . 0.43 109.165 -179.813 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 72.4 mm-40 -53.98 -38.64 65.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.69 109.217 179.402 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.34 -56.06 22.03 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.369 -0.832 . . . . 0.43 110.242 -179.55 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.59 -48.35 82.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.145 -0.972 . . . . 0.27 109.279 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 8.6 ttm180 -52.11 -39.43 59.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.275 -0.89 . . . . 2.45 109.848 -179.821 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.28 -43.13 99.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 1.75 110.342 -179.405 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.39 -41.85 94.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.31 109.541 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.73 -52.83 64.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.912 . . . . 1.22 109.876 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 1.3 mp0 -62.36 -38.9 91.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.181 -0.949 . . . . 1.73 109.811 -179.532 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 0.28 109.683 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.31 109.439 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.89 -34.56 71.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 1.91 109.42 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.31 -49.83 70.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.263 -0.898 . . . . 0.43 109.109 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.31 -48.46 75.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.42 -0.8 . . . . 1.57 108.966 179.627 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.8 -29.48 64.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.641 -0.662 . . . . 1.44 109.586 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.57 78.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.17 -0.957 . . . . 0.64 109.465 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.21 109.491 179.978 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.346 -0.613 . . . . 1.7 109.346 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 21.1 m-85 -94.31 149.33 21.34 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.237 -0.915 . . . . 0.61 109.739 -179.745 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.19 138.45 35.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.58 108.83 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.7 p -94.15 165.22 12.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.42 109.283 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.28 13.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.168 -0.957 . . . . 0.36 109.935 -179.133 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -84.03 126.99 33.58 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.483 -0.932 . . . . 1.37 108.483 179.362 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.46 117.51 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.536 -0.727 . . . . 0.47 109.969 -179.102 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.16 155.64 32.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.603 -0.686 . . . . 2.1 109.684 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.82 2.11 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.457 -1.057 . . . . 0.42 110.457 179.003 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.22 -42.13 14.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.428 -1.043 . . . . 2.68 109.26 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.82 -46.71 88.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 2.22 109.799 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.483 ' HG3' HH11 ' A' ' 337' ' ' ARG . 18.8 ttm-85 -63.95 -39.94 95.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.191 -0.943 . . . . 2.77 109.7 -179.694 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.17 -54.43 30.84 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 0.43 109.286 179.858 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.57 -37.84 63.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.325 -0.859 . . . . 1.66 109.741 -179.639 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.03 -49.75 71.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 0.44 110.456 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.06 -43.16 95.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.29 109.127 -179.607 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.64 -44.6 57.44 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 2.44 109.468 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.414 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 tp10 -61.54 -47.32 86.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 1.74 109.703 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.9 -45.02 96.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.235 -0.916 . . . . 0.3 109.352 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.67 -50.19 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.905 . . . . 1.22 109.464 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 92.8 mt-10 -64.07 -35.82 81.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 1.72 109.802 -179.776 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.76 -58.36 8.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -0.814 . . . . 0.27 110.268 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.24 -38.82 84.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.29 109.504 -179.539 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.64 -33.61 73.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.152 -0.967 . . . . 1.91 108.875 179.268 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' B' ' 350' ' ' LEU . 2.7 tt -64.67 -52.45 57.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.41 109.077 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 31.1 ttmt -62.03 -47.03 86.58 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.401 -0.812 . . . . 1.56 109.008 179.795 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.82 -30.75 65.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.54 -0.725 . . . . 1.43 109.327 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -30.87 70.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.386 -0.821 . . . . 0.66 109.526 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.245 -0.909 . . . . 1.18 109.247 179.856 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.405 -0.591 . . . . 1.61 109.405 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 20.6 m-85 -94.25 149.22 21.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.234 -0.916 . . . . 0.57 109.879 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.47 35.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -0.844 . . . . 0.53 108.859 179.251 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.9 p -94.17 165.39 12.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -0.875 . . . . 0.38 109.207 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.19 13.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 0.36 109.962 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.85 126.99 33.51 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.559 -0.904 . . . . 1.36 108.559 179.294 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 117.62 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.537 -0.727 . . . . 0.49 109.923 -179.166 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.21 155.7 32.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.511 -0.743 . . . . 2.1 109.62 179.319 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.89 2.13 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.468 -1.053 . . . . 0.44 110.468 178.991 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -85.33 -42.12 14.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.39 -1.065 . . . . 2.72 109.293 179.444 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.77 -46.79 88.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.414 -0.804 . . . . 2.21 109.809 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.481 ' HG3' HH11 ' B' ' 337' ' ' ARG . 19.0 ttm-85 -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.213 -0.929 . . . . 2.79 109.715 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.15 -54.46 30.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.306 -0.871 . . . . 0.45 109.308 179.853 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.44 -37.99 63.11 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.322 -0.861 . . . . 1.68 109.826 -179.732 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' C' ' 340' ' ' MET . 25.2 ttp -63.97 -49.79 71.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.304 -0.873 . . . . 0.43 110.49 -179.147 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.07 -43.05 95.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.11 -0.994 . . . . 0.28 109.186 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.73 -44.52 58.35 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.186 -0.946 . . . . 2.52 109.465 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 tp10 -61.59 -47.29 86.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 1.75 109.685 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.98 -45.03 96.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.177 -0.952 . . . . 0.31 109.316 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.66 -50.12 75.09 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.291 -0.881 . . . . 1.21 109.489 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.544 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 92.8 mt-10 -64.18 -35.49 80.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.354 -0.841 . . . . 1.69 109.859 -179.797 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.05 -58.26 9.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.27 110.232 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.31 -38.78 84.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.3 109.505 -179.546 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.64 73.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.012 . . . . 1.93 108.931 179.196 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' A' ' 350' ' ' LEU . 2.8 tt -64.7 -52.46 57.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.472 -0.767 . . . . 0.4 109.057 179.806 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.44 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 30.9 ttmt -62.02 -47.02 86.63 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.423 -0.798 . . . . 1.59 109.016 179.764 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -30.62 65.99 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.572 -0.705 . . . . 1.43 109.39 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.319 -0.863 . . . . 0.65 109.523 -179.972 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.364 -0.606 . . . . 2.11 109.364 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 20.8 m-85 -94.24 149.31 21.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 0.64 109.83 -179.798 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -140.16 138.44 35.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 0.49 108.877 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -94.17 165.3 12.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.428 -0.795 . . . . 0.47 109.244 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.16 13.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.978 . . . . 0.42 109.998 -179.136 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.84 126.91 33.43 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.593 -0.891 . . . . 1.81 108.593 179.348 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -124.44 117.52 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.523 -0.735 . . . . 0.42 110.011 -179.117 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.13 155.69 32.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.582 -0.699 . . . . 2.35 109.659 179.361 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.43 136.91 2.12 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.415 -1.074 . . . . 0.41 110.415 178.975 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -85.31 -42.18 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.456 -1.026 . . . . 2.59 109.245 179.418 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.78 -46.79 88.08 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.336 -0.853 . . . . 2.54 109.764 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.488 HH11 ' HG3' ' C' ' 337' ' ' ARG . 18.9 ttm-85 -63.91 -39.99 95.46 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.226 -0.921 . . . . 3.39 109.668 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.13 -54.53 29.5 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.329 -0.857 . . . . 0.47 109.299 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.42 -37.84 62.93 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.361 -0.837 . . . . 1.66 109.869 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' B' ' 340' ' ' MET . 25.3 ttp -64.03 -49.8 70.98 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.337 -0.852 . . . . 0.61 110.455 -179.142 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.05 -43.1 95.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.101 -1.0 . . . . 0.33 109.215 -179.627 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.67 -44.5 57.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.198 -0.938 . . . . 3.28 109.533 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 tp10 -61.52 -47.37 85.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 1.78 109.703 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.91 -45.06 96.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.227 -0.92 . . . . 0.38 109.356 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.64 -50.22 74.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.313 -0.867 . . . . 1.2 109.463 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.53 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 92.8 mt-10 -64.16 -35.46 80.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 2.12 109.838 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.97 -58.36 8.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.226 -0.921 . . . . 0.26 110.253 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.26 -38.78 84.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.232 -0.918 . . . . 0.4 109.515 -179.518 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.63 -33.67 73.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 2.09 108.874 179.248 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -64.68 -52.33 57.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.622 0.725 . . . . 0.75 109.087 179.801 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' D' ' 343' ' ' GLU . 31.0 ttmt -62.19 -46.96 86.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 2.19 109.024 179.734 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.89 -30.63 66.01 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 1.34 109.348 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.72 109.569 -179.973 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.303 -0.629 . . . . 1.67 109.303 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 21.2 m-85 -94.33 149.29 21.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.276 -0.89 . . . . 0.61 109.783 -179.811 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.55 35.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.375 -0.828 . . . . 0.56 108.805 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -94.33 165.2 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.38 -0.825 . . . . 0.43 109.209 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.23 13.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.35 109.992 -179.099 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.89 126.96 33.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 1.37 108.542 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.5 117.45 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.472 -0.768 . . . . 0.48 110.044 -179.139 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.06 155.64 32.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.598 -0.689 . . . . 2.08 109.675 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.37 136.93 2.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.442 -1.063 . . . . 0.4 110.442 179.025 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.27 -42.22 14.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.385 -1.068 . . . . 2.64 109.199 179.478 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.73 -46.75 88.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 2.22 109.816 -179.753 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' D' ' 337' ' ' ARG . 18.5 ttm-85 -63.96 -39.92 95.23 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.138 -0.977 . . . . 2.74 109.741 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.16 -54.41 31.05 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.299 -0.876 . . . . 0.43 109.338 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -53.51 -37.89 63.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.307 -0.87 . . . . 1.69 109.783 -179.674 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.95 -49.84 70.99 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.319 -0.863 . . . . 0.43 110.46 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.05 -43.15 95.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.026 -1.046 . . . . 0.27 109.13 -179.56 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -50.62 -44.61 57.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.127 -0.983 . . . . 2.45 109.473 179.955 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.468 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 tp10 -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.182 -0.949 . . . . 1.75 109.725 -179.935 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.96 -45.0 96.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.33 -0.856 . . . . 0.31 109.292 -179.789 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.64 -50.18 74.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 1.22 109.421 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.403 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 92.8 mt-10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.333 -0.854 . . . . 1.73 109.836 -179.718 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.84 -58.33 8.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 0.28 110.25 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.3 -38.83 84.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.11 -0.994 . . . . 0.31 109.485 -179.49 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.65 73.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.052 -1.03 . . . . 1.91 108.886 179.238 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' C' ' 350' ' ' LEU . 2.7 tt -64.76 -52.34 57.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.539 -0.726 . . . . 0.43 109.054 179.794 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 31.1 ttmt -62.12 -47.01 86.51 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.384 -0.823 . . . . 1.57 109.013 179.775 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.87 -30.62 65.98 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.583 -0.698 . . . . 1.44 109.358 179.756 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.97 71.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.64 109.52 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 1.21 109.323 179.828 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.234 0.54 . . . . 1.7 109.68 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -94.09 149.72 20.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.278 -0.889 . . . . 0.61 108.988 179.61 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.43 -169.54 2.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.193 -0.942 . . . . 0.58 109.546 -179.633 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.21 150.9 31.14 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.271 -1.011 . . . . 0.42 108.271 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -144.07 133.5 23.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.29 -0.881 . . . . 0.36 109.859 -178.368 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.53 128.01 34.36 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.553 -0.906 . . . . 1.37 108.553 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.7 mt -123.23 112.92 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.33 -0.856 . . . . 0.47 109.082 -179.479 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 33.2 ttt-85 -74.45 153.61 39.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.537 -0.727 . . . . 2.1 109.635 -179.788 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.71 130.04 1.17 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.949 -1.26 . . . . 0.42 109.949 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.32 -43.6 32.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.398 -1.06 . . . . 2.68 109.286 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.87 -44.93 82.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.232 -0.917 . . . . 2.22 108.936 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -64.01 -42.22 97.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.377 -0.827 . . . . 2.77 109.234 179.684 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.46 -55.78 25.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.611 -0.68 . . . . 0.43 109.639 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.89 -40.42 60.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.66 109.722 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.18 -51.12 67.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.339 -0.851 . . . . 0.44 110.08 -179.434 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.2 -48.39 81.72 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.189 -0.944 . . . . 0.29 109.086 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.13 -41.59 60.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 2.44 109.547 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.07 -47.79 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.197 -0.939 . . . . 1.74 109.622 -179.639 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.9 -34.86 75.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.178 -0.951 . . . . 0.3 108.636 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.1 -57.85 11.25 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.441 -0.787 . . . . 1.22 109.477 179.559 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.47 -34.78 78.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 1.72 110.118 -179.736 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.12 -56.38 22.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.27 110.145 -179.21 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.93 -42.85 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.093 -1.004 . . . . 0.29 109.513 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.99 -35.1 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.91 . . . . 1.91 109.174 179.639 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.62 -48.63 74.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 0.41 109.562 -179.882 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.04 -40.4 97.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.371 -0.831 . . . . 1.56 108.864 179.553 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -56.28 -34.18 66.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.626 -0.671 . . . . 1.43 109.452 179.645 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.51 77.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.826 . . . . 0.66 109.863 -179.908 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 1.18 109.532 -179.782 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.231 0.539 . . . . 1.61 109.716 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -93.97 149.84 20.88 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.265 -0.897 . . . . 0.57 109.088 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.66 -169.58 2.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.323 -0.861 . . . . 0.53 109.548 -179.605 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -151.31 150.6 30.72 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.25 -1.019 . . . . 0.38 108.25 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.8 tp -143.81 133.5 23.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.233 -0.917 . . . . 0.36 109.883 -178.404 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -84.38 127.99 34.32 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.641 -0.874 . . . . 1.36 108.641 179.091 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.29 112.88 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.36 -0.838 . . . . 0.49 109.066 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 33.9 ttt-85 -74.36 153.57 39.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.461 -0.774 . . . . 2.1 109.713 -179.847 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.64 130.08 1.15 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.935 -1.266 . . . . 0.44 109.935 179.797 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.35 -43.59 32.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.42 -1.047 . . . . 2.72 109.279 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.93 -44.82 82.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.264 -0.897 . . . . 2.21 108.934 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 2.79 109.238 179.67 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.42 -55.83 24.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.58 -0.7 . . . . 0.45 109.631 -179.962 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.88 -40.44 60.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.68 109.75 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.2 -51.02 68.0 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.329 -0.857 . . . . 0.43 110.155 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -48.41 81.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.191 -0.943 . . . . 0.28 109.038 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -51.08 -41.73 60.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 2.52 109.568 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.94 -47.91 83.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.129 -0.982 . . . . 1.75 109.658 -179.688 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.83 -34.88 75.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.31 108.664 179.673 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.16 -57.73 11.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.39 -0.819 . . . . 1.21 109.439 179.599 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.66 -34.6 78.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.356 -0.84 . . . . 1.69 110.103 -179.673 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.18 -56.42 22.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.27 110.122 -179.272 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.87 -42.68 98.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 0.3 109.61 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.14 -35.07 74.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.131 -0.981 . . . . 1.93 109.159 179.666 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.5 -48.72 74.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.378 -0.826 . . . . 0.4 109.435 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.12 -40.36 97.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 1.59 108.901 179.647 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -56.32 -34.14 66.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.585 -0.697 . . . . 1.43 109.385 179.637 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.3 -0.875 . . . . 0.65 109.891 -179.86 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.225 0.536 . . . . 2.11 109.653 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -94.05 149.65 21.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.256 -0.902 . . . . 0.64 109.087 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.37 -169.46 2.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -0.878 . . . . 0.49 109.524 -179.625 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.38 150.49 30.53 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.374 -0.973 . . . . 0.47 108.374 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.7 tp -143.77 133.5 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.286 -0.884 . . . . 0.42 109.919 -178.361 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -84.42 127.99 34.33 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.539 -0.912 . . . . 1.81 108.539 179.179 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.28 113.1 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.38 -0.825 . . . . 0.42 109.022 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' C' ' 333' ' ' ARG . 34.1 ttt-85 -74.64 153.71 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.532 -0.73 . . . . 2.35 109.578 -179.773 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.68 130.03 1.16 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.929 -1.268 . . . . 0.41 109.929 179.747 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.28 -43.6 32.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 2.59 109.341 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.93 -44.67 82.69 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.241 -0.912 . . . . 2.54 108.98 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.284 -0.885 . . . . 3.39 109.157 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.44 -55.83 24.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.567 -0.708 . . . . 0.47 109.564 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.91 -40.47 60.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -0.849 . . . . 1.66 109.718 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.191 -0.943 . . . . 0.61 110.122 -179.497 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.24 -48.35 81.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.143 -0.973 . . . . 0.33 109.039 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.13 -41.73 60.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 3.28 109.555 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.97 -47.86 83.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 1.78 109.666 -179.654 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.83 -34.92 75.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.211 -0.931 . . . . 0.38 108.636 179.619 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.18 -57.74 11.69 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.476 -0.765 . . . . 1.2 109.484 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.65 -34.58 78.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.826 . . . . 2.12 110.137 -179.754 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.13 -56.45 21.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.26 110.178 -179.298 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.84 -42.88 98.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.095 -1.003 . . . . 0.4 109.481 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.98 -35.09 74.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 2.09 109.162 179.682 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -48.66 74.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.898 . . . . 0.75 109.415 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.0 -40.53 98.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 2.19 108.894 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.23 -34.15 66.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.574 -0.703 . . . . 1.34 109.446 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.72 109.781 -179.864 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.32 0.581 . . . . 1.67 109.646 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -94.01 149.92 20.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.61 109.034 179.535 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.74 -169.6 2.58 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.332 -0.855 . . . . 0.56 109.54 -179.627 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.28 150.57 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.341 -0.985 . . . . 0.43 108.341 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -143.82 133.53 23.74 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.35 109.909 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.39 127.89 34.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.612 -0.885 . . . . 1.37 108.612 179.139 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.2 mt -123.23 112.91 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -0.795 . . . . 0.48 109.11 -179.505 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.422 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 33.1 ttt-85 -74.33 153.7 39.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.521 -0.737 . . . . 2.08 109.758 -179.843 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 130.12 1.13 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.989 -1.245 . . . . 0.4 109.989 179.831 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.39 -43.45 32.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.356 -1.085 . . . . 2.64 109.333 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.9 -45.06 82.85 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.173 -0.954 . . . . 2.22 108.914 179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.87 -42.26 97.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.419 -0.8 . . . . 2.74 109.278 179.654 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -54.43 -55.83 24.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.608 -0.683 . . . . 0.43 109.561 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.94 -40.43 60.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.368 -0.833 . . . . 1.69 109.752 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.13 -51.06 67.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.43 110.177 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.971 . . . . 0.27 109.005 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.16 -41.64 60.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -0.848 . . . . 2.45 109.498 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.02 -47.86 83.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 1.75 109.64 -179.667 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.78 -34.94 75.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 0.31 108.68 179.624 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.12 -57.69 11.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.5 -0.75 . . . . 1.22 109.509 179.547 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.58 -35.01 79.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.73 110.101 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -56.82 -56.44 21.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.925 . . . . 0.28 110.226 -179.348 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.91 -42.82 98.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.31 109.54 -179.692 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.99 -35.14 74.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.93 . . . . 1.91 109.17 179.629 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.59 -48.65 74.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.865 . . . . 0.43 109.599 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.09 -40.33 97.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.57 108.867 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.23 -34.28 66.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.512 -0.742 . . . . 1.44 109.4 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.54 77.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 0.64 109.824 -179.876 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 1.21 109.619 -179.827 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.305 0.574 . . . . 1.7 109.653 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.436 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 36.2 m-85 -96.37 152.81 18.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.319 -0.863 . . . . 0.61 109.599 179.84 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.53 133.45 30.85 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.484 -0.932 . . . . 0.58 108.484 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -92.82 165.17 13.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.403 -0.81 . . . . 0.42 109.317 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.67 130.88 15.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.243 -0.911 . . . . 0.36 109.659 -179.714 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.31 129.72 34.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.453 -0.779 . . . . 1.37 109.432 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -124.21 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.572 -0.705 . . . . 0.47 109.313 -179.854 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.414 ' C ' ' CD ' ' A' ' 333' ' ' ARG . 0.3 OUTLIER -74.82 125.42 28.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 2.1 109.521 179.886 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.7 136.55 5.98 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 110.099 -1.2 . . . . 0.42 110.099 179.174 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.4 -50.26 12.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.39 -1.065 . . . . 2.68 108.99 179.603 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.39 -39.61 76.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.22 108.808 179.509 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.624 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.18 84.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.308 -0.87 . . . . 2.77 109.375 179.739 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.78 -58.01 9.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.672 -0.642 . . . . 0.43 109.888 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.28 -39.69 46.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.354 -0.841 . . . . 1.66 110.12 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.18 -54.61 30.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.064 -1.023 . . . . 0.44 110.427 -179.205 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.12 -46.33 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.013 -1.055 . . . . 0.29 108.962 -179.684 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.47 -42.19 54.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.236 -0.915 . . . . 2.44 109.327 179.787 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -60.08 -54.12 49.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 1.74 109.943 -179.616 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.04 -39.39 85.75 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.148 -0.97 . . . . 0.3 108.691 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.412 ' O ' ' CD ' ' A' ' 349' ' ' GLU . 21.0 t-20 -58.35 -57.08 14.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.36 -0.838 . . . . 1.22 109.37 179.572 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.04 -33.88 71.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 1.72 109.826 -179.7 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.39 -48.04 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.27 109.727 -179.846 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -50.14 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.371 -0.83 . . . . 0.29 109.857 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 349' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 345' ' ' ASN . 3.3 mp0 -58.03 -33.19 68.72 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.124 -0.985 . . . . 1.91 109.434 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.91 -52.92 53.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.41 109.075 179.825 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.8 -45.4 94.02 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.37 -0.831 . . . . 1.56 108.948 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.627 -0.671 . . . . 1.43 109.38 179.645 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -27.94 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 0.66 109.281 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 1.18 109.415 179.857 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.256 0.55 . . . . 1.61 109.624 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 36.6 m-85 -96.43 152.8 18.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.34 -0.85 . . . . 0.57 109.586 179.754 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.49 133.41 30.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.277 -0.889 . . . . 0.53 108.608 178.904 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -92.78 165.16 13.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.38 109.315 -179.85 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.69 130.82 15.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.36 109.668 -179.721 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.2 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.365 -0.834 . . . . 1.36 109.506 179.896 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.8 mt -124.24 107.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.601 -0.687 . . . . 0.49 109.379 -179.91 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.419 ' C ' ' CD ' ' B' ' 333' ' ' ARG . 0.3 OUTLIER -74.82 125.36 28.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 2.1 109.522 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.74 136.4 5.94 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 110.068 -1.213 . . . . 0.44 110.068 179.181 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.35 -50.22 12.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -1.051 . . . . 2.72 108.992 179.631 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.45 -39.57 76.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.128 -0.983 . . . . 2.21 108.811 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.4 -41.27 84.52 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.298 -0.876 . . . . 2.79 109.383 179.671 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.78 -58.04 9.83 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.619 -0.675 . . . . 0.45 109.829 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.26 -39.77 45.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 1.68 110.06 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.2 -54.55 31.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.086 -1.008 . . . . 0.43 110.413 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.04 -46.36 91.02 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.117 -0.989 . . . . 0.28 108.976 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.46 -42.22 54.04 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.277 -0.889 . . . . 2.52 109.341 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.0 -54.26 48.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 1.75 109.905 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.96 -39.43 85.58 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.205 -0.934 . . . . 0.31 108.707 179.884 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.41 ' O ' ' CD ' ' B' ' 349' ' ' GLU . 20.9 t-20 -58.39 -56.97 15.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.322 -0.861 . . . . 1.21 109.373 179.57 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.18 -33.79 71.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.25 -0.906 . . . . 1.69 109.716 -179.703 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.52 -48.0 83.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.201 -0.937 . . . . 0.27 109.702 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.35 -49.92 73.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.3 109.896 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 349' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 345' ' ' ASN . 3.3 mp0 -58.15 -33.24 68.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.133 -0.979 . . . . 1.93 109.381 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.84 -53.07 52.48 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.183 -0.948 . . . . 0.4 109.023 179.8 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.66 -45.4 94.19 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.351 -0.843 . . . . 1.59 109.007 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.87 -35.75 66.85 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.617 -0.677 . . . . 1.43 109.325 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.65 109.328 179.964 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.388 0.613 . . . . 2.11 109.688 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 36.2 m-85 -96.47 152.71 18.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.268 -0.895 . . . . 0.64 109.63 179.841 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.39 133.32 30.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.925 . . . . 0.49 108.592 179.021 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.3 p -92.65 165.01 13.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.408 -0.808 . . . . 0.47 109.385 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.6 130.95 15.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.363 -0.836 . . . . 0.42 109.65 -179.766 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.33 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.745 . . . . 1.81 109.446 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.8 mt -124.31 107.52 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 121.572 -0.705 . . . . 0.42 109.31 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.419 ' C ' ' CD ' ' C' ' 333' ' ' ARG . 0.3 OUTLIER -74.97 125.47 28.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.811 . . . . 2.35 109.461 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.45 5.99 Favored Glycine 0 N--CA 1.501 3.019 0 N-CA-C 110.104 -1.198 . . . . 0.41 110.104 179.167 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.18 12.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.497 -1.002 . . . . 2.59 109.037 179.675 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' C' ' 336' ' ' GLU . 1.5 mp0 -57.47 -39.64 76.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 2.54 108.749 179.516 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.623 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.37 -41.31 84.46 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.211 -0.931 . . . . 3.39 109.374 179.733 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -56.65 -58.05 9.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.645 -0.659 . . . . 0.47 109.902 -179.801 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.32 -39.73 46.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.331 -0.856 . . . . 1.66 109.989 -179.474 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.16 -54.61 31.07 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.134 -0.979 . . . . 0.61 110.387 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.13 -46.38 90.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.03 -1.044 . . . . 0.33 108.907 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.32 -42.26 52.42 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.283 -0.886 . . . . 3.28 109.347 179.73 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -60.02 -54.24 48.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 1.78 109.838 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.191 -0.943 . . . . 0.38 108.752 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.402 ' O ' ' CD ' ' C' ' 349' ' ' GLU . 21.0 t-20 -58.4 -57.0 14.83 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 1.2 109.386 179.474 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.13 -33.79 71.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.12 109.77 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.64 -47.83 84.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.26 109.671 -179.724 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.42 -49.9 73.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.4 109.92 -179.783 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' C' ' 345' ' ' ASN . 3.3 mp0 -58.16 -33.23 68.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.098 -1.001 . . . . 2.09 109.408 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.91 -53.01 53.27 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.12 -0.988 . . . . 0.75 109.026 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.77 -45.3 94.47 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.425 -0.797 . . . . 2.19 108.995 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.85 -35.8 66.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.578 -0.702 . . . . 1.34 109.337 179.636 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 0.72 109.3 179.988 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.331 0.586 . . . . 1.67 109.696 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 36.8 m-85 -96.49 152.7 18.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.61 109.613 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.43 133.37 30.9 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.57 -0.9 . . . . 0.56 108.57 178.978 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.5 p -92.72 165.1 13.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.433 -0.792 . . . . 0.43 109.294 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.59 130.9 15.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.35 109.62 -179.681 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.37 109.43 179.883 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.7 mt -124.24 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.542 -0.724 . . . . 0.48 109.333 -179.863 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' D' ' 333' ' ' ARG . 0.3 OUTLIER -74.86 125.39 28.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 2.08 109.531 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.55 136.5 6.0 Favored Glycine 0 N--CA 1.501 3.023 0 N-CA-C 110.121 -1.191 . . . . 0.4 110.121 179.166 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.3 12.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -1.05 . . . . 2.64 108.969 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.39 -39.61 76.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.201 -0.937 . . . . 2.22 108.798 179.556 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.621 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.15 84.5 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.189 -0.944 . . . . 2.74 109.412 179.69 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -56.83 -58.03 9.88 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.695 -0.628 . . . . 0.43 109.818 -179.785 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.3 -39.68 46.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.326 -0.859 . . . . 1.69 110.037 -179.493 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.5 ttp -64.24 -54.49 32.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.047 -1.033 . . . . 0.43 110.443 -179.196 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.25 -46.17 91.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.097 -1.002 . . . . 0.27 108.955 -179.691 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.54 -42.14 54.89 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.353 -0.842 . . . . 2.45 109.33 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.16 -54.11 49.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.935 . . . . 1.75 109.885 -179.548 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.07 -39.42 85.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.191 -0.943 . . . . 0.31 108.688 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.401 ' O ' ' CD ' ' D' ' 349' ' ' GLU . 20.9 t-20 -58.37 -56.99 14.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.292 -0.88 . . . . 1.22 109.314 179.6 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.26 -33.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 1.73 109.8 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.58 -47.91 83.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.179 -0.95 . . . . 0.28 109.686 -179.798 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.38 -49.96 73.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.45 -0.782 . . . . 0.31 109.882 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 349' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' D' ' 345' ' ' ASN . 3.3 mp0 -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.093 -1.005 . . . . 1.91 109.374 -179.625 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.86 -52.99 53.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.172 -0.955 . . . . 0.43 109.076 179.843 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.78 -45.27 94.62 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.847 . . . . 1.57 109.029 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -55.98 -35.74 67.08 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.49 -0.756 . . . . 1.44 109.36 179.674 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.88 67.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.64 109.265 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.21 109.454 179.798 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.38 -0.6 . . . . 1.7 109.38 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.66 153.5 18.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.61 109.297 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -139.63 -171.86 3.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.345 -0.847 . . . . 0.58 109.249 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -152.27 149.41 28.66 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.42 108.927 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.67 132.66 24.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.327 -0.858 . . . . 0.36 109.736 -178.844 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -85.47 128.36 34.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.831 -0.803 . . . . 1.37 108.831 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -124.12 118.36 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.54 -0.725 . . . . 0.47 109.492 -179.773 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.1 149.77 37.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.496 -0.753 . . . . 2.1 109.735 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 137.24 6.08 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.568 -1.013 . . . . 0.42 110.568 179.049 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.23 -54.45 5.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.446 -1.032 . . . . 2.68 109.227 179.548 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.72 -40.74 80.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.188 -0.945 . . . . 2.22 108.591 179.586 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -62.63 -44.76 95.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.357 -0.979 . . . . 2.77 108.357 179.248 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.23 -55.26 37.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.679 -0.638 . . . . 0.43 109.374 179.407 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.2 -35.19 25.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 1.66 109.893 -179.556 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.62 -52.29 63.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.087 -1.008 . . . . 0.44 109.804 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.54 -46.36 90.44 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.27 -0.894 . . . . 0.29 109.36 -179.922 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.23 -43.77 53.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.942 . . . . 2.44 109.214 179.717 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.8 -42.8 98.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.199 -0.938 . . . . 1.74 109.398 179.677 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.47 -48.26 80.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.268 -0.895 . . . . 0.3 109.202 179.78 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -57.56 -46.82 83.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.22 109.097 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.24 -40.01 92.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 1.72 109.041 179.664 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.67 -53.63 56.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.459 -0.776 . . . . 0.27 109.511 -179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.81 -43.52 98.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.361 -0.837 . . . . 0.29 109.144 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.12 -35.52 75.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.24 -0.913 . . . . 1.91 109.314 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.88 -50.23 69.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 0.41 109.411 -179.824 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.83 -46.91 85.73 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 1.56 109.04 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.98 66.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.509 -0.745 . . . . 1.43 109.544 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -46.13 74.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -0.914 . . . . 0.66 109.758 -179.75 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.18 109.754 -179.721 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.431 -0.581 . . . . 1.61 109.431 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.6 153.49 18.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.57 109.302 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -139.72 -171.83 3.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.316 -0.865 . . . . 0.53 109.265 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.3 149.56 28.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.967 . . . . 0.38 108.868 -179.956 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.78 132.53 23.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.308 -0.87 . . . . 0.36 109.708 -178.757 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.37 128.34 34.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.84 -0.8 . . . . 1.36 108.84 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.17 118.15 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.458 -0.776 . . . . 0.49 109.562 -179.737 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.89 149.67 37.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.513 -0.742 . . . . 2.1 109.861 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 137.37 6.19 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.538 -1.025 . . . . 0.44 110.538 179.048 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.3 -54.42 5.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.388 -1.066 . . . . 2.72 109.318 179.426 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.71 -40.78 80.35 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.039 -1.038 . . . . 2.21 108.663 179.497 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.326 -0.99 . . . . 2.79 108.326 179.211 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.25 -55.3 36.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.646 -0.659 . . . . 0.45 109.38 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -50.25 -35.13 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.409 -0.807 . . . . 1.68 109.84 -179.453 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.64 -52.37 63.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.221 -0.924 . . . . 0.43 109.757 -179.615 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.228 -0.92 . . . . 0.28 109.365 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.31 -43.74 53.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 2.52 109.149 179.761 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.76 -42.81 98.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.324 -0.86 . . . . 1.75 109.376 179.691 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.54 -48.21 80.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.31 109.166 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.64 -46.77 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.141 -0.974 . . . . 1.21 109.007 179.683 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.27 -39.92 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 1.69 109.057 179.708 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -53.64 56.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.403 -0.811 . . . . 0.27 109.462 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.7 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.883 . . . . 0.3 109.15 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.99 -35.58 75.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 1.93 109.354 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.89 -50.27 69.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.4 109.336 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.85 -46.83 86.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 1.59 109.043 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.51 -31.92 66.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.509 -0.745 . . . . 1.43 109.438 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.65 109.676 -179.635 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 2.11 109.389 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -92.62 153.54 18.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 0.64 109.329 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.67 -171.86 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 0.49 109.262 -179.832 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.23 149.64 28.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.88 . . . . 0.47 108.857 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.81 132.52 23.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 0.42 109.729 -178.822 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -85.34 128.35 34.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 1.81 108.914 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.7 mt -124.16 118.28 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.408 -0.808 . . . . 0.42 109.511 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.04 149.71 37.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 2.35 109.765 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 137.41 6.21 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.481 -1.047 . . . . 0.41 110.481 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.31 -54.52 4.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.341 -1.094 . . . . 2.59 109.26 179.44 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.64 -40.84 80.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.102 -0.999 . . . . 2.54 108.634 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.358 -0.979 . . . . 3.39 108.358 179.252 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.31 -55.31 36.44 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.384 0.612 . . . . 0.47 109.382 179.359 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -50.2 -35.19 25.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.821 . . . . 1.66 109.882 -179.494 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.67 -52.25 64.05 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.168 -0.958 . . . . 0.61 109.785 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.64 -46.25 91.01 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.25 -0.906 . . . . 0.33 109.293 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.33 -43.73 54.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 3.28 109.123 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.92 -42.69 98.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.316 -0.865 . . . . 1.78 109.372 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.46 -48.34 80.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.237 -0.914 . . . . 0.38 109.16 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.57 -46.84 83.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -0.972 . . . . 1.2 109.017 179.741 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 2.12 109.047 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -53.69 55.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.459 -0.776 . . . . 0.26 109.476 -179.932 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.7 -43.7 98.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.327 -0.858 . . . . 0.4 109.167 179.959 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.81 -35.68 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 2.09 109.311 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.82 -50.18 69.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.75 109.423 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.81 -47.0 85.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.397 -0.815 . . . . 2.19 108.987 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.43 -31.93 66.38 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.568 -0.708 . . . . 1.34 109.49 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.72 109.715 -179.653 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.301 0.572 . . . . 1.67 109.473 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.55 153.55 18.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.61 109.393 179.792 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.72 -171.85 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.56 109.195 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -152.32 149.45 28.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.232 -0.917 . . . . 0.43 108.897 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.66 132.59 24.28 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.343 -0.848 . . . . 0.35 109.792 -178.799 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.4 128.38 34.7 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.84 -0.8 . . . . 1.37 108.84 179.368 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.21 118.19 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.499 -0.75 . . . . 0.48 109.488 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.88 149.73 37.73 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.509 -0.744 . . . . 2.08 109.815 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 137.4 6.14 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.486 -1.045 . . . . 0.4 110.486 178.994 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.29 -54.52 4.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.441 -1.035 . . . . 2.64 109.273 179.468 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.62 -40.83 80.07 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.051 -1.031 . . . . 2.22 108.631 179.478 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.64 95.78 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.401 -0.963 . . . . 2.74 108.401 179.223 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -57.32 -55.23 37.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.655 -0.653 . . . . 0.43 109.398 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.25 -35.05 25.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 1.69 109.905 -179.552 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.82 -52.27 63.8 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.43 109.726 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.56 -46.32 90.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.171 -0.956 . . . . 0.27 109.365 -179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.3 -43.7 53.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 2.45 109.177 179.769 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.83 -42.76 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 1.75 109.342 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.52 -48.18 80.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.31 109.231 179.768 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.63 -46.9 83.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.116 -0.99 . . . . 1.22 108.967 179.675 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.23 -39.97 92.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 1.73 109.042 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -53.63 56.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 0.28 109.518 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.62 -43.76 98.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.31 109.125 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.99 -35.58 75.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 1.91 109.338 179.906 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.8 -50.26 69.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 0.43 109.375 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.92 -46.92 85.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 1.57 109.033 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.88 66.32 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.632 -0.667 . . . . 1.44 109.497 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -46.14 73.85 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.64 109.746 -179.71 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.176 -0.953 . . . . 1.21 109.692 -179.722 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.213 0.53 . . . . 1.7 109.63 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -94.0 162.08 14.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.257 -0.902 . . . . 0.61 109.619 179.875 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.19 -171.73 3.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.275 -0.89 . . . . 0.58 109.347 179.699 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.64 144.51 24.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.205 -0.934 . . . . 0.42 109.08 -179.751 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.71 136.69 37.6 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.483 -0.761 . . . . 0.36 110.158 -178.702 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' C' ' 327' ' ' TYR . 56.8 tt0 -86.04 130.74 34.44 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.906 -0.775 . . . . 1.37 108.906 179.155 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.45 117.39 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.491 -0.755 . . . . 0.47 109.247 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.33 151.5 39.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.578 -0.702 . . . . 2.1 109.746 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.44 135.27 3.03 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.434 -1.067 . . . . 0.42 110.434 179.094 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.91 -50.55 10.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.482 -1.011 . . . . 2.68 109.288 179.612 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.76 -35.42 72.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.118 -0.989 . . . . 2.22 108.774 179.873 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.525 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 10.0 tpp180 -65.4 -41.46 93.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.277 -0.889 . . . . 2.77 109.004 179.581 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -55.37 -53.02 61.41 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.501 -0.749 . . . . 0.43 109.941 -179.918 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.36 55.71 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 1.66 110.005 -179.55 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.32 -51.85 64.3 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.243 -0.911 . . . . 0.44 110.317 -179.3 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.94 -47.12 87.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.255 -0.903 . . . . 0.29 109.289 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.39 -43.75 54.66 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.22 -0.925 . . . . 2.44 109.34 179.835 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.29 93.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.213 -0.929 . . . . 1.74 109.524 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.46 -47.61 83.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 0.3 109.233 179.857 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.29 -47.51 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.193 -0.942 . . . . 1.22 109.476 179.827 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.15 -36.61 80.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.822 . . . . 1.72 109.395 -179.947 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -46.67 88.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.27 109.201 179.88 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.495 HD22 ' NH1' ' C' ' 337' ' ' ARG . 44.0 mt -62.58 -48.22 80.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.485 -0.759 . . . . 0.29 109.463 179.758 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.64 -34.59 72.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 1.91 109.431 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.63 -49.07 72.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.401 -0.812 . . . . 0.41 109.339 -179.779 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.285 -0.884 . . . . 1.56 108.916 179.495 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.37 -33.06 69.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.581 -0.699 . . . . 1.43 109.557 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -45.36 77.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.66 109.658 -179.667 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.874 . . . . 1.18 109.546 -179.877 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' D' ' 335' ' ' ARG . 48.5 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.3 0.571 . . . . 1.61 109.602 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.99 162.12 14.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.223 -0.923 . . . . 0.57 109.583 179.873 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.12 -171.71 3.25 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.328 -0.857 . . . . 0.53 109.414 179.711 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.81 144.36 24.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.151 -0.968 . . . . 0.38 109.133 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 63.8 tp -137.5 136.85 38.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.4 -0.812 . . . . 0.36 110.251 -178.666 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.21 130.66 34.45 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.934 -0.765 . . . . 1.36 108.934 179.172 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.32 117.46 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.459 -0.775 . . . . 0.49 109.244 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.5 151.53 39.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.526 -0.734 . . . . 2.1 109.704 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.51 135.28 3.07 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.385 -1.086 . . . . 0.44 110.385 179.072 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -79.98 -50.52 10.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.442 -1.034 . . . . 2.72 109.331 179.556 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.79 -35.3 72.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 2.21 108.834 179.857 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.537 ' H ' ' CD ' ' B' ' 336' ' ' GLU . 10.0 tpp180 -65.42 -41.51 93.48 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.263 -0.898 . . . . 2.79 108.985 179.52 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.27 -53.14 59.89 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.498 -0.752 . . . . 0.45 109.902 -179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.37 55.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 1.68 109.989 -179.436 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.272 -0.893 . . . . 0.43 110.367 -179.325 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.02 -47.14 87.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.103 -0.998 . . . . 0.28 109.295 -179.797 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.42 -43.69 54.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.287 -0.883 . . . . 2.52 109.348 179.836 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.35 -45.26 94.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.75 109.597 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.48 -47.55 83.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.31 109.234 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -58.39 -47.39 84.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.161 -0.962 . . . . 1.21 109.432 179.876 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.24 -36.6 80.41 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 1.69 109.339 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.04 -46.71 88.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.27 109.159 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.469 HD22 ' NH1' ' D' ' 337' ' ' ARG . 44.4 mt -62.56 -48.36 79.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.486 -0.759 . . . . 0.3 109.445 179.801 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.54 -34.48 72.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.327 -0.858 . . . . 1.93 109.53 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.5 tp -64.62 -49.14 72.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.284 -0.885 . . . . 0.4 109.368 -179.902 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -47.99 77.19 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.363 -0.836 . . . . 1.59 108.919 179.464 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.27 -33.17 69.11 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.671 -0.643 . . . . 1.43 109.617 179.757 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.332 -0.855 . . . . 0.65 109.757 -179.697 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.217 0.532 . . . . 2.11 109.628 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.414 ' HB3' HE21 ' A' ' 331' ' ' GLN . 76.2 m-85 -93.89 162.06 14.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.289 -0.882 . . . . 0.64 109.685 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -140.14 -171.66 3.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.291 -0.881 . . . . 0.49 109.336 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.7 144.49 24.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.14 -0.975 . . . . 0.47 109.025 -179.778 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -137.64 136.86 37.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.427 -0.796 . . . . 0.42 110.115 -178.71 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.23 130.71 34.43 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.896 -0.779 . . . . 1.81 108.896 179.163 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.37 117.4 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.42 109.225 -179.935 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -74.4 151.59 39.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.639 -0.663 . . . . 2.35 109.669 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.41 135.26 3.02 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.471 -1.051 . . . . 0.41 110.471 179.103 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -79.95 -50.44 10.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.068 . . . . 2.59 109.368 179.522 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.85 -35.3 72.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 2.54 108.799 179.846 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.534 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 tpp180 -65.47 -41.5 93.28 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.217 -0.927 . . . . 3.39 108.929 179.599 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.33 -53.05 61.07 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.568 -0.707 . . . . 0.47 109.957 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.34 -37.27 55.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.66 110.043 -179.533 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.2 ttp -63.54 -51.74 64.15 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.204 -0.935 . . . . 0.61 110.289 -179.257 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -60.84 -47.19 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.94 . . . . 0.33 109.36 -179.857 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.35 -43.82 54.25 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.178 -0.951 . . . . 3.28 109.317 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.3 -45.23 94.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.265 -0.897 . . . . 1.78 109.61 179.936 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.45 -47.65 83.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.38 109.166 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.26 -47.55 83.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.136 -0.978 . . . . 1.2 109.411 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.5 80.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.209 -0.932 . . . . 2.12 109.409 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -46.77 88.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.23 -0.919 . . . . 0.26 109.174 179.823 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' A' ' 337' ' ' ARG . 44.2 mt -62.48 -48.25 80.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.459 -0.776 . . . . 0.4 109.561 179.748 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.62 -34.57 72.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 2.09 109.458 179.925 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.5 -49.24 72.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.75 109.354 -179.898 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.345 -0.847 . . . . 2.19 108.938 179.539 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.32 -33.09 69.11 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.547 -0.721 . . . . 1.34 109.574 179.764 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.387 -0.82 . . . . 0.72 109.708 -179.697 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.257 0.551 . . . . 1.67 109.617 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -93.99 162.11 14.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.225 -0.922 . . . . 0.61 109.551 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.1 -171.64 3.23 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.38 -0.825 . . . . 0.56 109.408 179.69 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -151.84 144.43 24.22 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.209 -0.932 . . . . 0.43 109.045 -179.83 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.58 136.82 37.92 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.395 -0.816 . . . . 0.35 110.191 -178.649 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.17 130.75 34.42 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.931 -0.766 . . . . 1.37 108.931 179.124 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.47 117.4 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.493 -0.755 . . . . 0.48 109.194 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -74.43 151.56 39.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.568 -0.707 . . . . 2.08 109.732 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.49 135.39 3.09 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.396 -1.081 . . . . 0.4 110.396 179.06 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' B' ' 326' ' ' GLU . 41.3 ttm180 -80.06 -50.52 10.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -1.008 . . . . 2.64 109.289 179.603 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.88 -35.32 72.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.15 -0.969 . . . . 2.22 108.787 179.879 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 10.0 tpp180 -65.34 -41.56 93.81 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.74 109.058 179.464 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -55.33 -53.04 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.558 -0.714 . . . . 0.43 109.95 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.38 -37.36 56.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.434 -0.791 . . . . 1.69 109.974 -179.481 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -51.71 64.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.141 -0.974 . . . . 0.43 110.385 -179.324 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.96 -47.15 87.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -0.977 . . . . 0.27 109.27 -179.825 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.41 -43.72 54.87 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 2.45 109.283 179.86 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.35 93.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 1.75 109.483 -179.999 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.33 -47.72 83.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.31 109.238 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.36 -47.37 84.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.195 -0.941 . . . . 1.22 109.476 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.52 80.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 1.73 109.448 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.05 -46.65 88.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.28 109.227 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' B' ' 337' ' ' ARG . 44.8 mt -62.64 -48.2 80.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.463 -0.773 . . . . 0.31 109.439 179.815 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.68 -34.54 73.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.334 -0.854 . . . . 1.91 109.447 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.56 -49.17 72.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.43 109.34 -179.883 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.32 -48.09 76.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.337 -0.852 . . . . 1.57 108.884 179.542 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.2 -33.13 68.94 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.568 -0.708 . . . . 1.44 109.589 179.802 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.38 77.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.28 -0.888 . . . . 0.64 109.681 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 1.21 109.559 -179.893 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.218 0.533 . . . . 1.7 109.693 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -98.76 153.47 18.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.317 -0.864 . . . . 0.61 110.376 -179.864 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.96 135.37 34.28 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.309 -0.997 . . . . 0.58 108.309 178.491 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 60.7 p -96.92 158.82 15.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.311 -0.868 . . . . 0.42 109.705 -179.392 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.19 132.99 17.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.913 . . . . 0.36 109.96 -179.253 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.48 34.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 1.37 108.904 179.288 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.88 113.07 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.602 -0.686 . . . . 0.47 109.445 -179.688 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.5 153.28 37.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.435 -0.791 . . . . 2.1 109.803 179.423 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 134.98 4.79 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.265 -1.134 . . . . 0.42 110.265 179.292 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 335' ' ' ARG . 19.5 ttt-85 -77.14 -50.67 12.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.365 -1.079 . . . . 2.68 109.208 179.555 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.11 -38.02 72.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.22 109.095 179.804 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.598 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.359 -0.838 . . . . 2.77 109.656 179.788 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -54.81 -57.17 12.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.549 -0.719 . . . . 0.43 109.996 -179.533 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.75 -39.49 52.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.278 -0.889 . . . . 1.66 109.896 -179.616 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.55 -53.99 39.29 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.215 -0.928 . . . . 0.44 110.552 -179.149 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.14 -45.07 95.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.973 -1.079 . . . . 0.29 109.004 -179.691 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.32 59.15 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.279 -0.888 . . . . 2.44 109.42 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.6 -52.87 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.74 109.832 -179.86 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.55 -36.59 78.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.3 108.717 179.791 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.1 -56.24 24.78 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.509 -0.744 . . . . 1.22 109.342 179.591 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.95 -31.83 73.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -0.779 . . . . 1.72 109.621 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.17 -57.37 13.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.27 110.223 -179.462 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.77 -44.35 96.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.29 109.395 -179.723 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.93 -36.08 71.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 1.91 108.885 179.729 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.48 -45.01 89.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.785 -0.821 . . . . 0.41 108.785 179.678 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.969 0.89 . . . . 1.56 108.792 179.196 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -52.38 -40.98 62.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.397 -0.594 . . . . 1.43 109.397 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.35 83.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.285 -0.885 . . . . 0.66 109.191 179.637 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.444 ' OE1' HD21 ' B' ' 350' ' ' LEU . 25.1 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.361 -0.837 . . . . 1.18 109.564 179.929 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.159 0.504 . . . . 1.61 109.709 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.9 m-85 -98.76 153.48 18.71 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.295 -0.878 . . . . 0.57 110.333 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.02 135.43 34.23 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.271 -1.011 . . . . 0.53 108.271 178.494 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -96.97 158.75 15.28 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.38 109.7 -179.382 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.25 133.09 18.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.36 109.968 -179.309 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.85 130.47 34.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.36 108.864 179.361 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -123.93 113.01 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.545 -0.722 . . . . 0.49 109.422 -179.709 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.33 153.3 37.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.437 -0.789 . . . . 2.1 109.762 179.37 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.0 135.14 4.8 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.222 -1.151 . . . . 0.44 110.222 179.237 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' B' ' 335' ' ' ARG . 19.4 ttt-85 -77.24 -50.73 12.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -1.063 . . . . 2.72 109.169 179.536 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.1 -38.01 72.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 2.21 109.086 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.611 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.47 -43.33 79.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.299 -0.875 . . . . 2.79 109.612 179.829 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.76 -57.23 12.36 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.466 -0.771 . . . . 0.45 109.965 -179.484 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.68 -39.57 51.4 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.4 -0.812 . . . . 1.68 109.889 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.53 -54.02 38.79 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.204 -0.935 . . . . 0.43 110.491 -179.074 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.15 -44.99 95.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.957 -1.089 . . . . 0.28 108.997 -179.628 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.43 59.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.286 -0.884 . . . . 2.52 109.412 179.684 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -60.57 -52.86 63.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.75 109.815 -179.789 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.57 -36.5 78.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.101 -0.999 . . . . 0.31 108.756 179.807 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.19 -56.23 24.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.454 -0.779 . . . . 1.21 109.308 179.596 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.86 -31.9 73.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 1.69 109.655 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.24 -57.29 13.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.27 110.198 -179.388 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.84 -44.29 97.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.3 109.413 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.97 -35.97 71.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -0.927 . . . . 1.93 108.924 179.721 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.444 HD21 ' OE1' ' A' ' 354' ' ' GLN . 4.6 tp -64.51 -45.04 88.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.392 -0.817 . . . . 0.4 108.824 179.619 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.89 -46.61 87.02 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.733 -0.839 . . . . 1.59 108.733 179.195 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -52.52 -40.84 62.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.411 -0.588 . . . . 1.43 109.411 -179.871 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.65 109.148 179.646 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.264 0.554 . . . . 2.11 109.71 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.0 m-85 -98.8 153.48 18.73 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.252 -0.905 . . . . 0.64 110.312 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.92 135.51 34.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.276 -1.009 . . . . 0.49 108.276 178.488 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.0 158.97 15.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.188 -0.945 . . . . 0.47 109.649 -179.396 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -148.4 132.99 17.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 0.42 109.936 -179.261 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.62 34.5 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.878 -0.786 . . . . 1.81 108.878 179.274 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.03 113.08 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.572 -0.705 . . . . 0.42 109.395 -179.672 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.44 153.37 37.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.482 -0.761 . . . . 2.35 109.802 179.387 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.87 135.15 4.74 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.353 -1.099 . . . . 0.41 110.353 179.349 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' C' ' 335' ' ' ARG . 19.5 ttt-85 -77.27 -50.7 12.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -1.046 . . . . 2.59 109.168 179.606 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.1 72.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.372 -0.83 . . . . 2.54 109.056 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.605 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.49 -43.23 79.48 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.399 -0.813 . . . . 3.39 109.658 179.833 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.8 -57.19 12.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.5 -0.75 . . . . 0.47 109.967 -179.575 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.73 -39.51 52.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.3 -0.875 . . . . 1.66 109.905 -179.62 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.56 -54.01 38.84 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.216 -0.928 . . . . 0.61 110.516 -179.105 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -62.16 -44.99 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.033 -1.042 . . . . 0.33 109.0 -179.609 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -50.89 -43.36 59.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 3.28 109.365 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.63 -52.86 63.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.88 . . . . 1.78 109.813 -179.796 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.57 -36.47 78.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.38 108.747 179.786 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.24 -56.17 25.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.536 -0.727 . . . . 1.2 109.341 179.593 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.89 -31.89 73.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 2.12 109.666 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.21 -57.3 13.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.26 110.187 -179.459 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.78 -44.37 96.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 0.4 109.395 -179.746 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.96 -35.98 71.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.221 -0.924 . . . . 2.09 108.971 179.751 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.45 -45.0 89.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.34 -0.85 . . . . 0.75 108.816 179.59 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.0 -46.68 86.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.741 -0.837 . . . . 2.19 108.741 179.22 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -52.31 -40.91 62.47 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.334 0.587 . . . . 1.34 109.478 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.235 -0.916 . . . . 0.72 109.186 179.635 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.22 0.533 . . . . 1.67 109.706 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.8 m-85 -98.78 153.49 18.71 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.296 -0.878 . . . . 0.61 110.376 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.0 135.47 34.32 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.242 -1.022 . . . . 0.56 108.242 178.472 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.4 p -96.99 158.76 15.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.169 -0.957 . . . . 0.43 109.707 -179.38 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.2 133.02 17.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.35 109.934 -179.237 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.87 130.46 34.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.896 -0.779 . . . . 1.37 108.896 179.325 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.89 113.06 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.486 -0.758 . . . . 0.48 109.397 -179.671 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.52 153.42 37.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.473 -0.767 . . . . 2.08 109.786 179.352 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.93 135.15 4.77 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.216 -1.153 . . . . 0.4 110.216 179.316 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' D' ' 335' ' ' ARG . 19.4 ttt-85 -77.2 -50.81 12.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.399 -1.059 . . . . 2.64 109.106 179.611 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.09 72.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 2.22 109.031 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.597 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.33 79.3 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.427 -0.796 . . . . 2.74 109.634 179.785 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -54.72 -57.36 11.83 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.591 -0.693 . . . . 0.43 109.982 -179.528 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.64 -39.53 50.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.288 -0.883 . . . . 1.69 109.878 -179.587 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.52 -53.97 39.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.263 -0.898 . . . . 0.43 110.543 -179.126 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.1 -45.09 95.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.978 -1.076 . . . . 0.27 109.052 -179.699 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.78 -43.43 58.53 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.322 -0.861 . . . . 2.45 109.361 179.698 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.63 -52.85 63.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.75 109.774 -179.72 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.52 -36.57 78.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.31 108.749 179.748 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.26 24.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.462 -0.773 . . . . 1.22 109.325 179.595 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.85 -31.84 73.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.406 -0.809 . . . . 1.73 109.67 -179.924 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -57.25 13.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 0.28 110.175 -179.387 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.87 -44.29 97.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 0.31 109.376 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.9 -36.04 71.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.91 108.965 179.667 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.49 -44.99 89.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.43 108.766 179.647 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -62.97 -46.65 86.7 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.867 0.842 . . . . 1.57 108.753 179.218 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.36 -40.92 62.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.312 0.577 . . . . 1.44 109.471 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.32 83.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 0.64 109.215 179.677 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.421 -0.799 . . . . 1.21 109.553 179.948 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.338 0.589 . . . . 1.7 109.833 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.98 156.66 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.32 -0.863 . . . . 0.61 109.59 179.723 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.13 136.62 35.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.857 . . . . 0.58 108.77 178.903 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.4 157.58 15.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.285 -0.885 . . . . 0.42 109.527 -179.576 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.9 131.08 17.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.399 -0.813 . . . . 0.36 110.022 -178.58 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.4 132.62 34.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 1.37 109.083 179.575 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.4 118.98 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 121.549 0.69 . . . . 0.47 109.352 -179.598 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.86 148.67 38.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.566 -0.709 . . . . 2.1 109.704 179.732 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.42 6.1 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.542 -1.023 . . . . 0.42 110.542 179.075 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.97 -46.5 12.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.427 -1.043 . . . . 2.68 109.188 179.51 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.15 -40.49 77.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 2.22 108.864 179.694 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -41.14 78.1 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.439 -0.788 . . . . 2.77 109.457 179.638 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.58 -59.22 5.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.546 -0.721 . . . . 0.43 110.039 -179.596 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.82 -35.3 43.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.349 -0.845 . . . . 1.66 109.622 -179.628 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.04 -57.36 8.85 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.245 -0.909 . . . . 0.44 110.322 -179.513 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.94 91.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.976 . . . . 0.29 108.883 -179.791 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.526 HH11 ' HB3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -50.06 -42.24 49.4 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.376 -0.827 . . . . 2.44 109.105 179.42 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.82 -45.29 93.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.74 109.396 179.488 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.06 -45.84 91.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.332 -0.855 . . . . 0.3 109.286 179.921 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.77 -49.34 76.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.22 109.259 179.926 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.1 -38.15 87.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 1.72 109.279 179.873 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -52.3 66.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.387 -0.821 . . . . 0.27 109.605 -179.902 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.88 -46.59 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.29 109.293 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.01 -35.44 73.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 1.91 109.198 179.811 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.68 -47.2 82.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -0.817 . . . . 0.41 109.165 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.389 -0.82 . . . . 1.56 108.863 179.699 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -56.91 -31.76 65.25 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.705 -0.622 . . . . 1.43 109.587 179.749 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.14 83.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.254 -0.904 . . . . 0.66 109.754 -179.771 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.215 -0.928 . . . . 1.18 109.395 -179.969 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.279 0.561 . . . . 1.61 109.849 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.99 156.66 16.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.327 -0.858 . . . . 0.57 109.64 179.677 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.09 136.67 35.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.853 . . . . 0.53 108.746 178.912 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.39 157.57 15.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -0.858 . . . . 0.38 109.531 -179.603 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.93 130.98 17.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.39 -0.819 . . . . 0.36 110.069 -178.595 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.38 132.65 34.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 1.36 109.061 179.623 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.37 119.01 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 CA-C-O 121.527 0.68 . . . . 0.49 109.337 -179.597 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.87 148.64 38.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.527 -0.733 . . . . 2.1 109.676 179.708 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.42 142.39 6.16 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.527 -1.029 . . . . 0.44 110.527 179.027 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.0 -46.47 12.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.503 -0.998 . . . . 2.72 109.235 179.468 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.2 -40.44 77.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 2.21 108.851 179.711 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.625 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.08 -41.08 78.19 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.411 -0.806 . . . . 2.79 109.441 179.633 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.58 -59.23 5.13 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.654 -0.654 . . . . 0.45 110.065 -179.636 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.85 -35.31 44.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 1.68 109.567 -179.581 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.05 -57.31 8.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.268 -0.895 . . . . 0.43 110.289 -179.457 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -61.89 -45.91 91.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.28 108.879 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.51 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.6 OUTLIER -50.09 -42.25 49.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.378 -0.826 . . . . 2.52 109.115 179.418 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.81 -45.29 93.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 1.75 109.409 179.474 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.07 -45.76 92.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.31 109.339 179.904 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.74 -49.43 76.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.179 -0.951 . . . . 1.21 109.242 179.868 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.09 -38.06 87.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.264 -0.897 . . . . 1.69 109.343 179.902 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.13 -52.35 66.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.27 109.622 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.82 -46.71 88.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.3 109.276 179.88 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.92 -35.47 73.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.202 -0.936 . . . . 1.93 109.196 179.791 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.64 -47.18 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.423 -0.798 . . . . 0.4 109.19 179.832 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.26 -48.96 75.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.358 -0.839 . . . . 1.59 108.867 179.701 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -56.92 -31.66 65.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.632 -0.668 . . . . 1.43 109.652 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.65 109.684 -179.753 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.273 0.559 . . . . 2.11 109.865 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.01 156.75 16.2 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 0.64 109.598 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -139.15 136.56 35.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.282 -0.886 . . . . 0.49 108.779 178.951 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.34 157.61 15.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.288 -0.883 . . . . 0.47 109.582 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.94 131.04 17.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.416 -0.802 . . . . 0.42 110.049 -178.568 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.39 132.66 34.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 1.81 109.05 179.601 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.4 119.0 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.488 0.661 . . . . 0.42 109.338 -179.615 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.96 148.67 37.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.591 -0.693 . . . . 2.35 109.639 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.4 6.09 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.588 -1.005 . . . . 0.41 110.588 179.131 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -82.97 -46.53 12.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.48 -1.012 . . . . 2.59 109.177 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.16 -40.49 77.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.335 -0.853 . . . . 2.54 108.832 179.743 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.637 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -41.17 77.84 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.439 -0.788 . . . . 3.39 109.508 179.585 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.53 -59.25 5.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.572 -0.705 . . . . 0.47 110.102 -179.647 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.81 -35.3 43.76 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.307 -0.871 . . . . 1.66 109.622 -179.67 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.03 -57.38 8.83 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.225 -0.922 . . . . 0.61 110.314 -179.529 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.93 91.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.33 108.911 -179.794 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.521 HH11 ' HB3' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -50.1 -42.24 49.96 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.367 -0.833 . . . . 3.28 109.073 179.41 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.84 -45.27 93.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 1.78 109.386 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.05 -45.77 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.38 109.343 179.893 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.73 -49.49 76.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.182 -0.949 . . . . 1.2 109.248 179.863 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.0 -38.16 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.274 -0.891 . . . . 2.12 109.313 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.13 -52.32 66.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 0.26 109.635 -179.951 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.88 -46.67 88.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.121 -0.987 . . . . 0.4 109.287 179.86 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.94 -35.45 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 2.09 109.217 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.64 -47.22 82.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.343 -0.848 . . . . 0.75 109.17 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.31 -48.89 76.16 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.37 -0.831 . . . . 2.19 108.802 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -56.98 -31.69 65.3 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.683 -0.636 . . . . 1.34 109.575 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 0.72 109.759 -179.787 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.307 0.575 . . . . 1.67 109.89 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.98 156.75 16.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.61 109.562 179.731 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.16 136.64 35.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.315 -0.866 . . . . 0.56 108.7 178.933 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.41 157.49 15.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 0.43 109.539 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.85 131.04 17.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -0.799 . . . . 0.35 110.048 -178.618 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.35 132.68 34.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.37 109.081 179.595 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.45 119.01 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-O 121.572 0.701 . . . . 0.48 109.288 -179.556 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.88 148.67 38.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.523 -0.736 . . . . 2.08 109.671 179.674 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.44 6.11 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.527 -1.029 . . . . 0.4 110.527 179.072 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.03 -46.49 12.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.516 -0.991 . . . . 2.64 109.166 179.499 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -57.18 -40.44 77.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -0.875 . . . . 2.22 108.907 179.703 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.636 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -41.17 78.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.38 -0.825 . . . . 2.74 109.423 179.613 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -55.49 -59.3 5.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.595 -0.69 . . . . 0.43 110.033 -179.63 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.84 -35.32 44.15 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.32 -0.863 . . . . 1.69 109.585 -179.566 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.04 -57.33 8.95 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.169 -0.957 . . . . 0.43 110.279 -179.479 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.88 -45.91 91.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.089 -1.007 . . . . 0.27 108.886 -179.796 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.527 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.6 OUTLIER -50.11 -42.25 50.03 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.442 -0.786 . . . . 2.45 109.104 179.434 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.8 -45.24 93.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -0.938 . . . . 1.75 109.433 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.16 -45.75 92.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.31 109.278 179.955 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.69 -49.46 76.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.173 -0.954 . . . . 1.22 109.285 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.03 -38.12 87.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 1.73 109.324 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -52.3 66.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.854 . . . . 0.28 109.63 -179.94 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.405 HD13 ' HE ' ' B' ' 337' ' ' ARG . 55.8 mt -61.84 -46.68 88.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.932 . . . . 0.31 109.306 179.825 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.95 -35.45 73.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 1.91 109.186 179.789 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.66 -47.18 82.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.43 109.168 179.875 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.364 -0.835 . . . . 1.57 108.894 179.679 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -57.02 -31.59 65.28 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.703 -0.623 . . . . 1.44 109.608 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.0 82.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.879 . . . . 0.64 109.763 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.21 109.385 179.998 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.371 -0.603 . . . . 1.7 109.371 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -97.34 153.11 18.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.213 -0.93 . . . . 0.61 109.95 -179.884 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.35 137.78 34.36 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.685 -0.858 . . . . 0.58 108.685 179.08 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -94.79 163.41 13.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.87 . . . . 0.42 109.05 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.92 132.79 17.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.173 -0.954 . . . . 0.36 110.147 -179.079 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.58 127.23 33.95 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.699 -0.852 . . . . 1.37 108.699 179.299 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.2 mt -124.26 111.17 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.546 -0.721 . . . . 0.47 109.776 -179.296 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.53 152.61 37.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.769 . . . . 2.1 109.531 179.531 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.97 131.67 4.14 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.065 -1.214 . . . . 0.42 110.065 179.617 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.81 -51.95 8.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -1.136 . . . . 2.68 109.566 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.28 -38.89 77.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.972 -1.08 . . . . 2.22 109.756 -179.596 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.115 -0.99 . . . . 2.77 109.699 -179.958 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.71 -53.44 52.08 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.439 -0.788 . . . . 0.43 109.908 -179.809 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -51.47 -39.51 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 1.66 110.13 -179.499 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.14 -51.32 66.96 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.206 -0.934 . . . . 0.44 110.483 -179.174 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.68 -42.62 97.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.06 -1.025 . . . . 0.29 109.069 -179.636 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.249 -0.907 . . . . 2.44 109.447 179.754 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.82 -46.29 91.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.74 109.967 -179.647 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.97 -41.05 95.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.3 109.515 -179.717 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.99 -50.33 74.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 1.22 109.576 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.505 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.92 81.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.297 -0.877 . . . . 1.72 109.769 -179.756 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -53.54 57.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 0.27 109.912 -179.582 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.6 -42.64 99.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.29 109.482 -179.868 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.3 -35.42 73.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.157 -0.965 . . . . 1.91 109.225 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -65.9 -52.3 51.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 0.41 109.193 179.907 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.05 -36.46 79.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.328 -0.858 . . . . 1.56 109.056 179.784 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.71 -36.2 66.93 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.656 -0.653 . . . . 1.43 109.272 179.808 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.95 80.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.66 109.597 -179.981 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.216 -0.928 . . . . 1.18 109.668 -179.87 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.411 -0.589 . . . . 1.61 109.411 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.32 153.08 18.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.234 -0.916 . . . . 0.57 109.973 -179.812 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.39 137.66 34.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 0.53 108.74 179.121 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.9 p -94.68 163.37 13.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 0.38 109.043 -179.857 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 132.74 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.013 -1.054 . . . . 0.36 110.198 -179.096 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.6 127.21 33.95 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.653 -0.869 . . . . 1.36 108.653 179.412 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.29 111.25 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 121.553 0.692 . . . . 0.49 109.774 -179.337 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.42 152.62 37.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.448 -0.783 . . . . 2.1 109.566 179.456 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.91 131.82 4.16 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.001 -1.24 . . . . 0.44 110.001 179.572 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.95 -51.96 8.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.3 -1.118 . . . . 2.72 109.585 179.958 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.26 -38.93 77.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.142 -0.974 . . . . 2.21 109.714 -179.609 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' D' ' 352' ' ' ASP . 30.7 ttm180 -62.96 -42.13 99.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.265 -0.897 . . . . 2.79 109.703 -179.918 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -53.72 -53.41 52.52 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.45 109.907 -179.772 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.49 -39.5 57.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 1.68 110.114 -179.507 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.11 -51.37 66.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.233 -0.917 . . . . 0.43 110.539 -179.221 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.58 -42.62 97.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.036 -1.04 . . . . 0.28 109.143 -179.696 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.41 63.31 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 2.52 109.478 179.731 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.73 -46.39 90.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 1.75 109.99 -179.701 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.94 -41.13 95.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.31 109.47 -179.65 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.89 -50.42 74.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 1.21 109.612 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.63 -35.94 81.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 1.69 109.757 -179.759 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -53.6 56.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.27 109.952 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.62 -42.64 99.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 0.3 109.431 -179.838 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.26 -35.43 73.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.182 -0.949 . . . . 1.93 109.267 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -65.87 -52.37 50.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.4 109.126 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.06 -36.52 79.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.363 -0.836 . . . . 1.59 109.037 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.76 -36.11 66.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.48 -0.763 . . . . 1.43 109.275 179.834 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.65 109.628 179.931 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.385 -0.598 . . . . 2.11 109.385 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.34 153.13 18.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.218 -0.926 . . . . 0.64 109.97 -179.834 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -140.41 137.75 34.22 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.721 -0.844 . . . . 0.49 108.721 179.079 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.1 p -94.78 163.41 13.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.306 -0.872 . . . . 0.47 109.034 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.96 132.74 16.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.08 -1.013 . . . . 0.42 110.208 -179.072 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.62 127.23 33.96 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.61 -0.885 . . . . 1.81 108.61 179.408 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.25 111.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.533 -0.73 . . . . 0.42 109.844 -179.349 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.5 152.6 37.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.533 -0.729 . . . . 2.35 109.572 179.569 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 131.67 4.16 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 109.967 -1.253 . . . . 0.41 109.967 179.533 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.79 -51.94 8.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 2.59 109.55 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.35 -38.83 78.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 2.54 109.686 -179.526 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.05 -42.06 99.63 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.207 -0.933 . . . . 3.39 109.693 -179.938 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -53.76 -53.42 52.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.475 -0.766 . . . . 0.47 109.888 -179.769 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.56 57.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 1.66 110.091 -179.519 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.15 -51.34 66.84 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.187 -0.946 . . . . 0.61 110.488 -179.127 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.69 -42.56 97.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.98 . . . . 0.33 109.085 -179.628 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.39 63.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.278 -0.889 . . . . 3.28 109.513 179.718 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -60.76 -46.33 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.389 -0.819 . . . . 1.78 110.036 -179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.95 -41.13 95.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.24 -0.913 . . . . 0.38 109.497 -179.721 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.88 -50.36 74.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 1.2 109.656 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.94 81.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 2.12 109.717 -179.762 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.45 -53.67 55.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 0.26 109.92 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.59 -42.62 99.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.4 109.444 -179.765 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.31 -35.4 73.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 2.09 109.218 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -65.88 -52.33 51.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.75 109.153 179.899 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.13 -36.45 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 2.19 109.064 179.764 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.75 -36.12 66.93 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.554 -0.716 . . . . 1.34 109.319 179.73 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.72 109.631 179.909 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.422 -0.585 . . . . 1.67 109.422 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.3 153.09 18.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.204 -0.935 . . . . 0.61 110.008 -179.902 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.3 137.67 34.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.744 -0.836 . . . . 0.56 108.744 179.082 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -94.7 163.45 13.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.873 . . . . 0.43 109.093 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.0 132.78 16.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.35 110.142 -179.059 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.69 127.24 34.0 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.614 -0.884 . . . . 1.37 108.614 179.422 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.27 111.22 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.51 -0.744 . . . . 0.48 109.84 -179.317 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.36 152.53 38.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.421 -0.8 . . . . 2.08 109.624 179.49 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 131.78 4.17 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.011 -1.236 . . . . 0.4 110.011 179.511 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.87 -51.82 8.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -1.103 . . . . 2.64 109.634 179.94 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.31 -38.93 78.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.11 -0.994 . . . . 2.22 109.77 -179.641 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -62.96 -42.09 99.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.218 -0.926 . . . . 2.74 109.705 -179.951 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.71 -53.46 51.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.453 -0.779 . . . . 0.43 109.89 -179.773 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.62 57.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.69 110.061 -179.531 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.16 -51.26 67.13 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.208 -0.933 . . . . 0.43 110.495 -179.08 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.7 -42.61 97.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.27 109.037 -179.644 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.4 63.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.294 -0.879 . . . . 2.45 109.476 179.772 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.78 -46.34 90.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.75 109.957 -179.669 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.98 -41.1 95.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 0.31 109.492 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.87 -50.32 74.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.157 -0.965 . . . . 1.22 109.689 179.888 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.72 -35.94 81.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 1.73 109.71 -179.721 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -53.5 57.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.171 -0.956 . . . . 0.28 109.963 -179.61 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.7 -42.62 99.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.89 . . . . 0.31 109.42 -179.845 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.29 -35.33 73.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 1.91 109.252 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -65.96 -52.39 50.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -0.84 . . . . 0.43 109.175 179.874 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.96 -36.43 79.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 1.57 109.089 179.756 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' B' ' 337' ' ' ARG . 9.7 m-20 -55.8 -36.18 67.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.489 -0.757 . . . . 1.44 109.239 179.823 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.96 80.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.64 109.601 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.889 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.181 0.515 . . . . 1.7 109.742 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -95.83 158.4 15.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.272 -0.893 . . . . 0.61 109.89 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 98.4 m-85 -140.08 -169.68 2.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.479 -0.763 . . . . 0.58 109.489 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.48 151.03 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.241 -0.912 . . . . 0.42 108.676 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -142.69 134.16 26.39 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.314 -0.866 . . . . 0.36 110.073 -178.327 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 35.2 tp60 -84.65 129.03 34.89 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.513 -0.921 . . . . 1.37 108.513 178.917 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.38 113.71 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.442 -0.786 . . . . 0.47 109.115 -179.68 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.81 147.55 41.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.537 -0.727 . . . . 2.1 109.751 179.922 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.02 136.83 5.4 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.108 -1.197 . . . . 0.42 110.108 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.27 -50.51 8.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -1.108 . . . . 2.68 109.341 179.694 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.02 -37.99 69.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.215 -0.928 . . . . 2.22 109.02 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.75 -44.5 85.76 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.691 -0.855 . . . . 2.77 108.691 179.244 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.86 -50.8 69.59 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.703 -0.623 . . . . 0.43 109.81 179.912 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.59 -40.09 62.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.336 -0.853 . . . . 1.66 110.014 -179.484 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.94 -49.5 74.52 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.234 -0.916 . . . . 0.44 110.341 -179.133 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.84 -44.27 97.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.29 109.29 -179.642 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.94 -43.44 60.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 2.44 109.467 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.03 -49.65 76.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 1.74 109.454 -179.996 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.09 -36.35 77.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 0.3 108.602 179.582 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.76 -57.99 10.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 1.22 109.367 179.571 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.3 -32.0 73.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.465 -0.772 . . . . 1.72 109.925 -179.753 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.26 66.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 0.27 109.918 -179.396 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.14 -47.51 85.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 0.29 109.368 -179.959 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.79 62.2 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.278 -0.889 . . . . 1.91 108.865 179.643 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.408 ' CD1' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -66.16 -57.95 6.5 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.348 -0.982 . . . . 0.41 108.348 179.826 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.473 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.13 71.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.843 0.83 . . . . 1.56 108.778 -179.819 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.37 -37.96 76.28 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.739 -0.601 . . . . 1.43 109.668 179.6 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.39 72.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 0.66 109.822 -179.634 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.18 109.732 -179.724 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.208 0.527 . . . . 1.61 109.789 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.69 158.39 15.47 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.276 -0.89 . . . . 0.57 109.891 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.491 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 98.3 m-85 -139.99 -169.61 2.77 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.364 -0.835 . . . . 0.53 109.465 -179.94 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.37 151.3 32.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.287 -0.883 . . . . 0.38 108.698 179.803 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.03 133.87 25.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.124 -0.985 . . . . 0.36 110.082 -178.339 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 34.6 tp60 -84.46 129.07 34.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.499 -0.926 . . . . 1.36 108.499 179.024 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.32 113.69 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.412 -0.805 . . . . 0.49 109.238 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.9 147.62 40.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.525 -0.735 . . . . 2.1 109.713 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 136.87 5.37 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.999 -1.24 . . . . 0.44 109.999 179.546 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -50.49 8.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.334 -1.098 . . . . 2.72 109.306 179.649 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.21 -37.47 69.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.212 -0.93 . . . . 2.21 108.983 -179.947 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.2 -44.37 84.1 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.659 -0.867 . . . . 2.79 108.659 179.299 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.94 -50.72 69.99 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.736 -0.603 . . . . 0.45 109.751 179.913 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.66 -40.13 62.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.376 -0.827 . . . . 1.68 109.962 -179.412 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.89 -49.53 74.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.287 -0.883 . . . . 0.43 110.358 -179.169 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -60.79 -44.33 96.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.069 -1.019 . . . . 0.28 109.251 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.97 -43.52 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.927 . . . . 2.52 109.366 179.738 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.91 -49.79 76.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 1.75 109.44 -179.993 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.11 -36.38 77.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.216 -0.928 . . . . 0.31 108.576 179.666 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.69 -57.98 10.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.416 -0.802 . . . . 1.21 109.358 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.34 -32.14 73.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.431 -0.793 . . . . 1.69 109.939 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.18 66.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.27 109.92 -179.408 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.32 -47.27 86.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 0.3 109.32 -179.94 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -57.88 -26.79 62.59 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.297 -0.877 . . . . 1.93 108.778 179.671 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -66.07 -57.84 6.81 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.401 -0.963 . . . . 0.4 108.401 179.773 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 2.7 ttmp? -59.04 -34.22 71.67 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.771 -0.826 . . . . 1.59 108.771 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.774 -0.579 . . . . 1.43 109.615 179.612 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.65 109.84 -179.659 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.19 0.519 . . . . 2.11 109.743 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.74 158.47 15.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.324 -0.86 . . . . 0.64 109.846 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 98.5 m-85 -140.07 -169.44 2.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.49 109.496 179.99 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.74 150.86 31.56 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.637 -0.875 . . . . 0.47 108.637 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -142.62 134.21 26.61 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.29 -0.881 . . . . 0.42 110.042 -178.293 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 35.1 tp60 -84.74 129.04 34.88 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.474 -0.935 . . . . 1.81 108.474 178.994 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.37 113.79 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.406 -0.809 . . . . 0.42 109.161 -179.675 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.86 147.45 41.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.588 -0.695 . . . . 2.35 109.835 179.931 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.05 136.9 5.44 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.06 -1.216 . . . . 0.41 110.06 179.579 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.594 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -50.4 8.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.334 -1.098 . . . . 2.59 109.334 179.713 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.1 -37.91 70.03 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.254 -0.904 . . . . 2.54 108.993 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.83 -44.48 85.42 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.677 -0.86 . . . . 3.39 108.677 179.268 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.82 -50.88 69.32 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.616 -0.677 . . . . 0.47 109.809 179.861 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.6 -40.09 62.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.373 -0.829 . . . . 1.66 109.995 -179.467 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.9 -49.44 74.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.318 -0.864 . . . . 0.61 110.43 -179.212 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.9 -44.3 97.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.066 -1.021 . . . . 0.33 109.216 -179.609 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -50.94 -43.52 60.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 3.28 109.39 179.71 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.92 -49.77 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.78 109.469 179.987 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.98 -36.47 77.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 0.38 108.564 179.622 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.64 -58.0 10.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.518 -0.739 . . . . 1.2 109.313 179.634 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.36 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 2.12 109.94 -179.726 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.25 66.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.241 -0.912 . . . . 0.26 109.93 -179.489 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.23 -47.33 86.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.082 -1.011 . . . . 0.4 109.364 -179.942 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -57.83 -26.81 62.53 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.09 108.768 179.66 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -57.97 6.59 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.331 -0.989 . . . . 0.75 108.331 179.798 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.2 71.6 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.773 -0.825 . . . . 2.19 108.773 -179.831 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.31 -38.01 76.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.312 0.577 . . . . 1.34 109.7 179.573 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.902 . . . . 0.72 109.826 -179.619 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.634 -0.506 . . . . 1.67 109.634 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.77 158.12 15.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.374 -0.829 . . . . 0.61 109.899 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.551 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 98.3 m-85 -139.87 -169.79 2.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.395 -0.816 . . . . 0.56 109.502 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.05 151.67 33.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.205 -0.935 . . . . 0.43 108.633 179.872 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.5 tp -143.37 133.7 24.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.27 -0.894 . . . . 0.35 109.994 -178.3 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 35.1 tp60 -84.31 129.09 34.9 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.505 -0.924 . . . . 1.37 108.505 178.974 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.42 113.81 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.372 -0.83 . . . . 0.48 109.205 -179.788 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.91 147.51 40.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.49 -0.756 . . . . 2.08 109.727 -179.958 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 136.84 5.44 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.041 -1.224 . . . . 0.4 110.041 179.547 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.25 -50.46 8.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -1.093 . . . . 2.64 109.323 179.656 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -56.17 -37.68 69.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.215 -0.928 . . . . 2.22 108.969 -179.988 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -65.97 -44.52 84.69 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.659 -0.867 . . . . 2.74 108.659 179.21 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.76 -50.93 69.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.668 -0.645 . . . . 0.43 109.768 179.944 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -52.52 -40.06 62.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 1.69 110.062 -179.508 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.94 -49.54 74.33 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.259 -0.901 . . . . 0.43 110.422 -179.197 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.72 -44.34 96.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.053 -1.029 . . . . 0.27 109.265 -179.691 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.02 -43.4 60.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.296 -0.878 . . . . 2.45 109.378 179.773 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.94 -49.78 76.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -0.941 . . . . 1.75 109.497 179.964 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -36.5 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.31 108.595 179.637 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -58.61 -57.96 10.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.498 -0.751 . . . . 1.22 109.392 179.559 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.37 -32.04 73.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 1.73 109.971 -179.776 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.426 ' HB2' ' HZ3' ' C' ' 351' ' ' LYS . . . -58.86 -52.23 66.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.28 109.883 -179.423 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -47.39 86.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.31 109.286 -179.855 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.69 62.06 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.307 -0.871 . . . . 1.91 108.863 179.589 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -58.0 6.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.329 -0.989 . . . . 0.43 108.329 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.486 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 2.7 ttmp? -58.94 -34.11 71.38 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.838 0.828 . . . . 1.57 108.804 -179.862 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.42 -37.94 76.41 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.35 0.595 . . . . 1.44 109.586 179.67 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.5 71.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.143 -0.973 . . . . 0.64 109.816 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.308 -0.87 . . . . 1.21 109.758 -179.728 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.246 0.546 . . . . 1.7 109.728 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.09 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.253 -0.904 . . . . 0.61 109.534 179.768 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.93 -172.91 3.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.58 109.419 -179.943 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -150.93 150.14 30.48 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.558 -0.904 . . . . 0.42 108.558 -179.982 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -141.74 132.27 25.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.258 -0.902 . . . . 0.36 109.693 -178.771 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -85.64 129.87 34.71 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.828 -0.804 . . . . 1.37 108.828 179.304 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.57 114.18 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.446 -0.784 . . . . 0.47 109.1 -179.759 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.79 144.87 43.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.434 -0.791 . . . . 2.1 109.783 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.43 134.67 5.37 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.114 -1.194 . . . . 0.42 110.114 179.532 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -80.92 -42.89 20.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.464 -1.021 . . . . 2.68 109.32 179.566 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.41 -45.32 88.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 2.22 109.336 179.772 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.7 -40.68 97.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 2.77 109.227 179.871 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.14 -54.0 50.36 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.522 -0.736 . . . . 0.43 109.99 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -50.84 -39.07 52.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 1.66 110.123 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.92 -51.18 67.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.196 -0.94 . . . . 0.44 110.302 -179.362 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -45.66 93.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.079 -1.013 . . . . 0.29 109.188 -179.732 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.53 -42.52 61.84 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.282 -0.887 . . . . 2.44 109.511 179.733 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.22 -51.08 71.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 1.74 109.809 -179.77 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.51 -37.01 79.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.16 -0.962 . . . . 0.3 108.801 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.63 -54.48 46.64 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.41 -0.806 . . . . 1.22 109.392 179.654 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.77 -32.42 73.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.394 -0.816 . . . . 1.72 109.812 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.85 -56.67 19.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.348 -0.845 . . . . 0.27 110.115 -179.446 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.82 -42.76 98.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.14 -0.975 . . . . 0.29 109.284 -179.813 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.26 -37.1 74.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 1.91 108.867 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.65 -42.44 98.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.517 -0.92 . . . . 0.41 108.517 179.56 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.67 -53.8 41.75 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.802 -0.814 . . . . 1.56 108.802 178.916 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.1 62.12 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.736 -0.602 . . . . 1.43 109.603 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.35 85.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.66 109.494 -179.811 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.865 . . . . 1.18 109.318 179.934 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.263 0.554 . . . . 1.61 109.784 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -94.06 162.34 13.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.275 -0.891 . . . . 0.57 109.552 179.841 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.9 -172.87 3.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.352 -0.843 . . . . 0.53 109.425 -179.864 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -151.0 150.19 30.47 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.566 -0.902 . . . . 0.38 108.566 -179.979 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.87 132.23 25.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.275 -0.891 . . . . 0.36 109.648 -178.688 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.62 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.808 -0.812 . . . . 1.36 108.808 179.349 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.56 114.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.51 -0.744 . . . . 0.49 109.092 -179.815 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.8 144.84 43.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.455 -0.778 . . . . 2.1 109.825 -179.964 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.46 134.59 5.36 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.182 -1.167 . . . . 0.44 110.182 179.573 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.85 -42.91 20.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.414 -1.05 . . . . 2.72 109.273 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.4 -45.39 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.21 109.28 179.799 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.68 -40.67 97.84 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.296 -0.877 . . . . 2.79 109.287 179.923 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.09 -54.0 50.3 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.513 -0.742 . . . . 0.45 109.953 -179.85 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -50.84 -39.2 52.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.841 . . . . 1.68 110.037 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.82 -51.18 68.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.206 -0.934 . . . . 0.43 110.288 -179.308 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.31 -45.69 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 0.28 109.188 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.41 -42.67 61.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.287 -0.883 . . . . 2.52 109.472 179.67 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.17 -51.13 70.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.127 -0.983 . . . . 1.75 109.858 -179.753 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.53 -36.91 79.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.31 108.788 179.936 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.67 -54.44 47.07 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.427 -0.796 . . . . 1.21 109.388 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.48 73.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.337 -0.852 . . . . 1.69 109.741 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.7 18.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.27 110.072 -179.484 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.83 -42.82 98.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.101 -0.999 . . . . 0.3 109.32 -179.785 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.31 -36.97 74.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.193 -0.942 . . . . 1.93 108.911 179.578 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.66 -42.42 98.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.484 -0.932 . . . . 0.4 108.484 179.477 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.65 -53.85 41.02 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.779 -0.822 . . . . 1.59 108.779 178.899 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -30.08 62.13 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.792 -0.567 . . . . 1.43 109.64 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 0.65 109.5 -179.802 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.26 0.552 . . . . 2.11 109.718 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.0 162.42 13.89 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -0.918 . . . . 0.64 109.601 179.73 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.06 -172.95 3.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.49 109.461 -179.917 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -150.95 150.06 30.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.25 -0.907 . . . . 0.47 108.627 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.69 132.39 25.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.278 -0.889 . . . . 0.42 109.706 -178.747 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.71 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.791 -0.818 . . . . 1.81 108.791 179.399 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.58 114.14 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.433 -0.792 . . . . 0.42 109.084 -179.745 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.73 144.82 43.48 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.391 -0.818 . . . . 2.35 109.777 -179.924 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.36 134.59 5.32 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.139 -1.184 . . . . 0.41 110.139 179.558 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.8 -42.91 20.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.445 -1.032 . . . . 2.59 109.246 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.52 -45.27 89.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.316 -0.865 . . . . 2.54 109.278 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -62.71 -40.65 97.84 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.272 -0.893 . . . . 3.39 109.283 179.81 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.18 -54.02 50.18 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.74 . . . . 0.47 109.93 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.74 -39.25 51.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.322 -0.861 . . . . 1.66 110.034 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.9 -51.07 68.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.177 -0.952 . . . . 0.61 110.305 -179.288 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.37 -45.64 93.51 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.33 109.192 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.49 -42.51 61.73 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.357 -0.839 . . . . 3.28 109.538 179.66 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.26 -51.05 71.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.202 -0.936 . . . . 1.78 109.818 -179.766 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.58 -36.97 79.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.38 108.761 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.66 -54.48 46.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.465 -0.772 . . . . 1.2 109.427 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.66 -32.57 73.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.387 -0.821 . . . . 2.12 109.799 -179.897 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -56.75 18.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.26 110.117 -179.463 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -42.73 98.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.4 109.36 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.32 -37.01 74.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.144 -0.972 . . . . 2.09 108.871 179.528 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.68 -42.49 98.01 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.492 -0.929 . . . . 0.75 108.492 179.492 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.64 -53.73 42.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.796 -0.816 . . . . 2.19 108.796 178.959 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.18 62.22 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.237 0.541 . . . . 1.34 109.647 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 0.72 109.54 -179.857 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.175 0.512 . . . . 1.67 109.755 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.07 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.347 -0.846 . . . . 0.61 109.565 179.791 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -139.85 -172.87 3.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.283 -0.885 . . . . 0.56 109.437 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -150.99 150.21 30.51 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.541 -0.911 . . . . 0.43 108.541 179.986 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -141.89 132.2 25.02 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.93 . . . . 0.35 109.695 -178.735 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.56 129.93 34.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.803 -0.814 . . . . 1.37 108.803 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.6 114.22 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.392 -0.818 . . . . 0.48 109.099 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.86 144.81 43.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.429 -0.795 . . . . 2.08 109.742 -179.855 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.45 134.68 5.38 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.125 -1.19 . . . . 0.4 110.125 179.548 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.92 -42.89 20.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.449 -1.03 . . . . 2.64 109.269 179.633 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.49 -45.3 89.0 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.35 -0.844 . . . . 2.22 109.239 179.819 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.303 -0.873 . . . . 2.74 109.266 179.864 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -56.12 -53.99 50.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.544 -0.723 . . . . 0.43 109.986 -179.845 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.79 -39.14 52.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.421 -0.799 . . . . 1.69 110.121 -179.574 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.95 -51.13 68.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.175 -0.953 . . . . 0.43 110.317 -179.305 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.19 -45.7 93.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.138 -0.976 . . . . 0.27 109.233 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.5 -42.52 61.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.223 -0.923 . . . . 2.45 109.542 179.712 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.18 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.02 . . . . 1.75 109.828 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.51 -37.02 79.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.31 108.761 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.68 -54.36 47.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.22 109.438 179.63 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.46 73.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.377 -0.827 . . . . 1.73 109.776 -179.834 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.79 -56.7 18.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.87 . . . . 0.28 110.093 -179.491 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.77 -42.86 98.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.31 109.317 -179.789 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.22 -37.06 74.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.954 . . . . 1.91 108.881 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -42.65 98.25 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.508 -0.923 . . . . 0.43 108.508 179.484 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.52 -53.83 41.86 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.76 -0.829 . . . . 1.57 108.76 179.02 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.23 62.12 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.219 0.533 . . . . 1.44 109.613 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.39 85.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.64 109.431 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.279 -0.888 . . . . 1.21 109.331 179.946 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.1 -0.704 . . . . 1.7 109.1 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.44 153.33 17.75 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.197 -0.94 . . . . 0.61 110.021 -179.761 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -140.77 137.25 33.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.866 -0.79 . . . . 0.58 108.866 179.256 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.77 163.68 13.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.348 -0.845 . . . . 0.42 109.221 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.55 132.92 14.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.36 109.866 -179.563 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.85 128.02 34.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.467 -0.938 . . . . 1.37 108.467 179.038 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.43 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.625 -0.672 . . . . 0.47 110.051 -179.377 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 333' ' ' ARG . 21.3 ttt-85 -75.68 153.31 37.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 2.1 109.69 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.13 133.8 2.15 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.202 -1.159 . . . . 0.42 110.202 179.381 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -81.16 -50.13 9.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -1.089 . . . . 2.68 109.455 179.633 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.09 -40.01 80.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 2.22 108.995 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.82 -45.54 92.12 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.625 -0.88 . . . . 2.77 108.625 179.337 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -56.06 -50.11 71.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.599 -0.688 . . . . 0.43 109.355 179.457 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.76 -42.19 64.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.66 110.119 -179.668 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.57 -49.05 76.81 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.21 -0.931 . . . . 0.44 110.469 -179.141 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.48 -46.22 90.96 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.145 -0.972 . . . . 0.29 109.37 -179.66 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.97 -45.29 64.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.198 -0.939 . . . . 2.44 109.447 179.699 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.94 -47.62 85.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.74 109.878 -179.822 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.48 -41.81 97.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.3 109.296 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.81 -50.35 74.3 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.174 -0.954 . . . . 1.22 109.26 179.538 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.4 -33.64 75.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.385 -0.822 . . . . 1.72 109.595 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.67 -51.0 71.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 0.27 109.643 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.12 -43.81 98.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.29 109.351 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.87 -35.32 72.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -0.891 . . . . 1.91 109.494 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -65.78 -52.6 49.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.3 -0.875 . . . . 0.41 109.209 -179.874 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.7 -35.55 76.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.34 -0.85 . . . . 1.56 109.09 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.388 -0.82 . . . . 1.43 109.157 179.771 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.06 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.66 109.662 179.932 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.379 -0.826 . . . . 1.18 109.865 -179.81 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.126 -0.694 . . . . 1.61 109.126 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -95.47 153.26 17.79 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.57 109.969 -179.731 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -140.76 137.37 33.35 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.801 -0.814 . . . . 0.53 108.801 179.227 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.67 163.93 13.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 0.38 109.223 -179.945 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.8 132.8 14.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.36 109.929 -179.681 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -85.81 128.06 34.71 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.46 -0.941 . . . . 1.36 108.46 179.047 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.56 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.442 -0.786 . . . . 0.49 110.065 -179.412 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' B' ' 333' ' ' ARG . 21.7 ttt-85 -75.65 153.27 37.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.521 -0.737 . . . . 2.1 109.766 179.701 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.02 134.04 2.16 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.301 -1.12 . . . . 0.44 110.301 179.453 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.34 -50.2 9.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -1.092 . . . . 2.72 109.374 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -40.09 79.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -0.956 . . . . 2.21 108.969 179.7 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.73 -45.63 91.85 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.613 -0.884 . . . . 2.79 108.613 179.384 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.0 -50.05 71.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.64 -0.663 . . . . 0.45 109.431 179.463 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.77 -42.27 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.322 -0.861 . . . . 1.68 110.069 -179.71 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.49 -49.15 76.5 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.28 -0.887 . . . . 0.43 110.371 -179.099 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -61.56 -46.16 91.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.048 -1.032 . . . . 0.28 109.295 -179.54 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.04 -45.2 64.56 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.265 -0.897 . . . . 2.52 109.502 179.725 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.93 -47.76 84.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.75 109.804 -179.819 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.4 -41.74 97.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 0.31 109.331 -179.899 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.82 -50.4 74.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.078 -1.014 . . . . 1.21 109.236 179.507 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.33 -33.68 75.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.364 -0.835 . . . . 1.69 109.665 -179.976 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.62 -50.98 71.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.27 109.705 -179.77 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.01 -43.83 98.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.253 -0.905 . . . . 0.3 109.349 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.03 -35.18 72.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 1.93 109.458 -179.987 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -65.85 -52.55 49.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.4 109.219 -179.914 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.8 -35.47 76.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.251 -0.906 . . . . 1.59 109.128 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -34.42 66.94 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.458 -0.776 . . . . 1.43 109.193 179.639 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.288 -0.883 . . . . 0.65 109.666 179.943 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.117 -0.698 . . . . 2.11 109.117 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -95.4 153.28 17.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.197 -0.94 . . . . 0.64 109.96 -179.704 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -140.74 137.36 33.38 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.79 -0.818 . . . . 0.49 108.79 179.216 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.74 163.92 13.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 0.47 109.21 179.987 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.6 tp -151.73 132.85 14.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 0.42 109.887 -179.591 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.87 127.97 34.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.427 -0.953 . . . . 1.81 108.427 179.077 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.59 115.63 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.42 -0.8 . . . . 0.42 110.016 -179.444 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.465 ' HG2' HH11 ' C' ' 333' ' ' ARG . 21.6 ttt-85 -75.77 153.31 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.448 -0.783 . . . . 2.35 109.613 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.1 134.03 2.19 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 110.24 -1.144 . . . . 0.41 110.24 179.415 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.38 -50.18 9.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -1.135 . . . . 2.59 109.382 179.683 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.05 -40.16 80.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.54 108.923 179.716 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.62 -45.74 91.48 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.6 -0.889 . . . . 3.39 108.6 179.391 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -55.97 -50.1 71.73 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.631 -0.668 . . . . 0.47 109.404 179.481 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -52.77 -42.19 64.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 1.66 110.052 -179.684 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.63 -49.07 76.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.246 -0.909 . . . . 0.61 110.411 -179.083 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.5 -46.25 90.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.025 -1.047 . . . . 0.33 109.329 -179.638 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.98 -45.28 64.41 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.177 -0.952 . . . . 3.28 109.444 179.733 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.93 -47.7 85.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.78 109.84 -179.796 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.38 -41.87 97.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.38 109.271 -179.964 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.8 -50.36 74.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.208 -0.933 . . . . 1.2 109.259 179.629 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.37 -33.59 75.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.424 -0.797 . . . . 2.12 109.601 -179.972 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.26 109.667 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.04 -43.79 98.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.4 109.348 179.944 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.98 -35.25 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.895 . . . . 2.09 109.433 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -65.79 -52.52 50.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.176 -0.952 . . . . 0.75 109.216 -179.871 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.83 -35.49 76.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.832 . . . . 2.19 109.147 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.52 -34.28 66.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.533 -0.73 . . . . 1.34 109.228 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.72 109.608 179.981 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.15 -0.685 . . . . 1.67 109.15 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -95.32 153.21 17.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.148 -0.97 . . . . 0.61 110.033 -179.746 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -140.7 137.2 33.31 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.943 -0.762 . . . . 0.56 108.943 179.232 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.68 164.0 13.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.43 109.205 -179.912 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.75 132.82 14.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.251 -0.905 . . . . 0.35 109.889 -179.609 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -85.8 127.99 34.7 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.455 -0.943 . . . . 1.37 108.455 179.019 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.61 115.6 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.431 -0.793 . . . . 0.48 110.033 -179.481 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.472 ' HG2' HH11 ' D' ' 333' ' ' ARG . 21.4 ttt-85 -75.8 153.37 36.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 2.08 109.648 179.747 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.16 133.98 2.2 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.263 -1.135 . . . . 0.4 110.263 179.472 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.44 -50.12 9.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -1.147 . . . . 2.64 109.392 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.13 -40.02 80.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 2.22 108.935 179.663 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.76 -45.59 91.99 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.589 -0.893 . . . . 2.74 108.589 179.35 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.15 -50.03 72.28 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.69 -0.631 . . . . 0.43 109.33 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.82 -42.25 64.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.69 110.031 -179.625 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.49 -49.12 76.63 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.226 -0.922 . . . . 0.43 110.392 -179.128 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.51 -46.19 91.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.126 -0.984 . . . . 0.27 109.337 -179.581 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.05 -45.26 64.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.197 -0.94 . . . . 2.45 109.424 179.726 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.85 -47.75 84.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 1.75 109.857 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.44 -41.69 97.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.953 . . . . 0.31 109.367 -179.924 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.83 -50.47 73.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.218 -0.926 . . . . 1.22 109.199 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.27 -33.81 75.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 1.73 109.592 -179.963 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.57 -50.93 71.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 0.28 109.748 -179.733 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.08 -43.87 97.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.31 109.356 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.96 -35.18 72.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 1.91 109.499 179.971 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -65.84 -52.51 49.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.43 109.289 -179.925 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.74 -35.53 76.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 1.57 109.111 179.916 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.48 -34.42 66.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.458 -0.776 . . . . 1.44 109.206 179.655 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.29 -48.97 63.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.946 . . . . 0.64 109.712 179.985 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 1.21 109.829 -179.801 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.267 0.556 . . . . 1.7 109.573 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -92.84 156.01 17.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.232 -0.917 . . . . 0.61 109.471 179.826 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.74 -173.57 3.6 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.362 -0.836 . . . . 0.58 109.601 -179.697 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.01 148.33 29.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.409 -0.96 . . . . 0.42 108.409 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -141.11 133.43 28.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.32 -0.862 . . . . 0.36 109.704 -178.572 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -85.06 132.02 34.38 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.411 -0.959 . . . . 1.37 108.411 179.043 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 77.9 mt -123.27 109.19 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.457 -0.777 . . . . 0.47 109.41 -179.468 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.27 22.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.428 -0.795 . . . . 2.1 109.372 179.635 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.62 132.49 4.93 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.691 -1.364 . . . . 0.42 109.691 179.843 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.18 -44.3 15.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -1.057 . . . . 2.68 109.335 179.728 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.08 -46.24 88.77 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.298 -0.876 . . . . 2.22 109.511 -179.94 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 17.7 ttm-85 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.1 -1.0 . . . . 2.77 109.7 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.15 -54.14 40.15 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.39 -0.818 . . . . 0.43 109.359 -179.841 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.63 -38.04 63.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.323 -0.861 . . . . 1.66 109.856 -179.932 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.28 -49.71 72.97 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.267 -0.895 . . . . 0.44 110.282 -179.112 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.29 -43.74 95.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.084 -1.01 . . . . 0.29 109.133 -179.81 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.1 -43.6 61.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.209 -0.932 . . . . 2.44 109.579 179.873 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.77 -45.45 94.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 1.74 109.767 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.3 -45.73 93.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.328 -0.857 . . . . 0.3 109.471 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.43 -48.33 82.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.187 -0.946 . . . . 1.22 109.587 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.13 -38.65 92.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.924 . . . . 1.72 109.873 -179.686 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.61 -56.1 26.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.271 -0.893 . . . . 0.27 109.994 -179.569 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.28 -40.68 95.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.29 109.457 -179.732 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.7 -36.32 80.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 1.91 109.346 179.445 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 63.7 tp -62.99 -50.28 71.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.344 -0.848 . . . . 0.41 109.132 179.967 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.63 -49.53 72.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.372 -0.83 . . . . 1.56 108.909 179.677 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.81 -32.47 70.67 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 1.43 109.727 179.76 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.61 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.66 110.122 -179.452 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 1.18 109.815 -179.648 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.24 0.543 . . . . 1.61 109.563 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.9 155.99 17.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.305 -0.872 . . . . 0.57 109.375 179.865 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.66 -173.56 3.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.321 -0.862 . . . . 0.53 109.63 -179.738 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.01 148.38 29.67 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.373 -0.973 . . . . 0.38 108.373 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.1 133.39 28.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.291 -0.881 . . . . 0.36 109.76 -178.628 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.02 132.02 34.39 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.443 -0.947 . . . . 1.36 108.443 179.012 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 78.5 mt -123.23 109.19 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.493 -0.754 . . . . 0.49 109.407 -179.482 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.45 122.35 22.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.497 -0.752 . . . . 2.1 109.304 179.642 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.6 132.5 4.94 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.752 -1.339 . . . . 0.44 109.752 179.795 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -44.29 15.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.396 -1.061 . . . . 2.72 109.369 179.769 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.14 -46.15 89.11 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.354 -0.841 . . . . 2.21 109.499 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.464 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 17.8 ttm-85 -66.13 -38.06 87.24 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.115 -0.991 . . . . 2.79 109.632 -179.764 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -53.18 -54.09 40.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.391 -0.818 . . . . 0.45 109.365 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.73 -38.05 63.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.68 109.814 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.15 -49.82 72.84 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.261 -0.9 . . . . 0.43 110.332 -179.207 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.22 -43.73 95.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.063 -1.023 . . . . 0.28 109.136 -179.798 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.15 -43.54 61.25 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.312 -0.868 . . . . 2.52 109.6 179.89 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.77 -45.45 94.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 1.75 109.746 -179.809 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.25 -45.83 92.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 0.31 109.395 -179.925 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.38 -48.3 82.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.218 -0.926 . . . . 1.21 109.61 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.19 -38.7 92.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 1.69 109.827 -179.677 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -56.12 26.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.27 109.97 -179.543 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.19 -40.73 95.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.911 . . . . 0.3 109.502 -179.755 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.73 -36.3 80.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.196 -0.94 . . . . 1.93 109.316 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.99 -50.39 70.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.4 109.027 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.57 -49.55 72.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.422 -0.798 . . . . 1.59 108.939 179.701 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.86 -32.45 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.59 -0.694 . . . . 1.43 109.691 179.816 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.65 110.094 -179.443 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.289 0.566 . . . . 2.11 109.531 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.95 155.97 17.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -0.927 . . . . 0.64 109.423 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.76 -173.67 3.62 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.387 -0.821 . . . . 0.49 109.542 -179.696 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -148.94 148.39 29.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.39 -0.967 . . . . 0.47 108.39 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.11 133.3 27.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.42 109.79 -178.55 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -84.96 131.97 34.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.438 -0.949 . . . . 1.81 108.438 179.074 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 78.6 mt -123.25 109.29 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.53 -0.731 . . . . 0.42 109.379 -179.499 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.26 22.77 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.514 -0.741 . . . . 2.35 109.32 179.67 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.57 132.57 4.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.719 -1.352 . . . . 0.41 109.719 179.81 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.568 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -44.35 15.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -1.084 . . . . 2.59 109.31 179.772 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.01 -46.19 88.82 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.361 -0.837 . . . . 2.54 109.583 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' NH1' ' C' ' 337' ' ' ARG . 17.9 ttm-85 -66.07 -38.12 87.51 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.127 -0.983 . . . . 3.39 109.692 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.14 -54.09 40.89 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.385 -0.822 . . . . 0.47 109.408 -179.873 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -53.76 -37.97 63.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 1.66 109.834 -179.928 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.18 -49.87 72.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.269 -0.894 . . . . 0.61 110.333 -179.273 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.2 -43.75 95.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.33 109.177 -179.82 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.14 -43.51 61.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.205 -0.934 . . . . 3.28 109.574 179.884 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.8 -45.44 94.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 1.78 109.732 -179.785 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.4 -45.71 93.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.38 109.365 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -59.49 -48.22 82.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.2 109.582 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.17 -38.83 92.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 2.12 109.87 -179.751 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.4 -56.14 26.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.26 109.992 -179.603 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.24 -40.72 95.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.262 -0.899 . . . . 0.4 109.444 -179.724 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.74 -36.27 80.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 2.09 109.34 179.518 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.91 -50.35 71.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.343 -0.848 . . . . 0.75 109.181 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.6 -49.52 73.01 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.437 -0.789 . . . . 2.19 108.951 179.726 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.79 -32.52 70.7 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.584 -0.698 . . . . 1.34 109.686 179.808 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 0.72 110.082 -179.432 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.536 -0.542 . . . . 1.67 109.536 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.9 156.11 17.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.297 -0.877 . . . . 0.61 109.418 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.81 -173.58 3.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.56 109.64 -179.711 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.03 148.32 29.58 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.391 -0.966 . . . . 0.43 108.391 179.947 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.0 tp -141.07 133.4 28.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.35 109.749 -178.549 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.04 131.96 34.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.417 -0.957 . . . . 1.37 108.417 179.081 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 78.3 mt -123.23 109.2 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.424 -0.798 . . . . 0.48 109.362 -179.431 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.53 122.28 22.85 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.475 -0.766 . . . . 2.08 109.355 179.611 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.64 132.56 4.94 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 109.716 -1.353 . . . . 0.4 109.716 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.576 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.28 -44.32 15.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -1.08 . . . . 2.64 109.296 179.829 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.03 -46.14 88.97 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.289 -0.882 . . . . 2.22 109.602 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.457 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 17.8 ttm-85 -66.12 -38.12 87.38 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.095 -1.003 . . . . 2.74 109.638 -179.804 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.18 -54.08 41.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.346 -0.846 . . . . 0.43 109.443 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.68 -37.98 63.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.69 109.852 -179.991 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.27 -49.77 72.75 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.308 -0.87 . . . . 0.43 110.305 -179.158 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.23 -43.72 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.11 -0.994 . . . . 0.27 109.119 -179.819 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.24 -43.39 61.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.212 -0.93 . . . . 2.45 109.565 179.94 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.82 -45.5 94.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.75 109.698 -179.833 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.26 -45.87 92.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.202 -0.936 . . . . 0.31 109.35 -179.896 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.38 -48.37 81.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.858 . . . . 1.22 109.584 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.13 -38.67 92.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.73 109.877 -179.716 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.6 -56.08 26.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.28 109.987 -179.589 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.3 -40.67 95.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.31 109.461 -179.709 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.74 -36.28 80.55 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.154 -0.966 . . . . 1.91 109.264 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.96 -50.39 70.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.43 109.12 179.908 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.55 -49.54 73.03 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.428 -0.795 . . . . 1.57 108.974 179.653 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.82 -32.51 70.72 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.621 -0.674 . . . . 1.44 109.671 179.799 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.66 82.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.325 -0.859 . . . . 0.64 110.086 -179.436 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.128 -0.982 . . . . 1.21 109.808 -179.634 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.593 -0.521 . . . . 1.7 109.593 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -94.27 157.52 16.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.271 -0.893 . . . . 0.61 109.65 179.872 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.5 -168.67 2.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.477 -0.765 . . . . 0.58 109.289 -179.813 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.61 148.94 28.57 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.638 -0.875 . . . . 0.42 108.638 179.928 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -142.8 135.06 27.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.254 -0.904 . . . . 0.36 109.739 -178.722 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.94 130.1 34.69 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.433 -0.951 . . . . 1.37 108.433 179.157 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.35 110.73 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.48 -0.763 . . . . 0.47 109.246 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.66 145.65 43.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.596 -0.69 . . . . 2.1 110.06 -179.662 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.09 127.0 2.92 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.135 -1.186 . . . . 0.42 110.135 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.69 -40.96 69.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.322 -1.105 . . . . 2.68 109.211 179.468 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -58.35 -47.44 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 2.22 109.473 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.55 -40.56 97.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.245 -0.909 . . . . 2.77 109.499 179.931 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.32 -54.57 41.9 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.516 -0.74 . . . . 0.43 109.911 -179.765 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.61 -42.15 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 1.66 109.921 -179.623 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.35 -50.09 71.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.21 -0.931 . . . . 0.44 110.419 -179.305 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.1 -45.01 96.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.29 109.084 -179.73 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 346' ' ' GLU . 13.5 ttm180 -51.95 -43.23 63.4 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.333 -0.854 . . . . 2.44 109.743 179.835 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -61.31 -44.32 97.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.28 -0.888 . . . . 1.74 110.135 -179.395 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.75 -40.81 93.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.166 -0.959 . . . . 0.3 109.396 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.97 -53.98 52.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.22 109.661 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 2.0 mp0 -62.77 -38.1 89.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.912 . . . . 1.72 109.612 -179.725 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.88 53.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.169 -0.957 . . . . 0.27 109.831 -179.672 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.08 -45.4 93.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.889 . . . . 0.29 109.406 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.35 -34.27 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 1.91 109.303 179.789 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.86 -45.04 91.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.309 -0.87 . . . . 0.41 109.273 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -63.76 -48.38 77.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 1.56 108.832 179.306 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.8 -31.68 64.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.694 -0.628 . . . . 1.43 109.488 179.762 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.41 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 0.66 109.662 -179.837 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 1.18 109.571 -179.885 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.247 0.546 . . . . 1.61 109.619 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.29 157.59 15.97 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.255 -0.903 . . . . 0.57 109.595 179.909 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.58 -168.73 2.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.46 -0.775 . . . . 0.53 109.246 -179.809 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.59 149.1 28.78 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.932 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.91 134.98 27.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.295 -0.878 . . . . 0.36 109.703 -178.646 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.89 130.06 34.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.493 -0.929 . . . . 1.36 108.493 179.123 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.32 110.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.403 -0.811 . . . . 0.49 109.325 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.52 145.61 43.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 2.1 110.086 -179.656 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 127.0 2.9 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.21 -1.156 . . . . 0.44 110.21 179.597 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.78 -40.93 68.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -1.087 . . . . 2.72 109.187 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.28 -47.4 83.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.278 -0.889 . . . . 2.21 109.537 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.58 -40.61 97.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.272 -0.892 . . . . 2.79 109.492 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.27 -54.68 40.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 0.45 109.86 -179.705 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.49 -42.11 63.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 1.68 109.917 -179.57 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.46 -50.17 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.334 -0.854 . . . . 0.43 110.314 -179.237 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.02 -44.97 96.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.01 -1.056 . . . . 0.28 109.139 -179.727 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' B' ' 346' ' ' GLU . 13.5 ttm180 -51.99 -43.2 63.49 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.31 -0.869 . . . . 2.52 109.756 179.88 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.26 -44.37 97.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.208 -0.933 . . . . 1.75 110.204 -179.497 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.66 -40.85 93.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.31 109.344 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.98 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 1.21 109.629 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.17 89.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.69 109.639 -179.703 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.92 52.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.27 109.834 -179.693 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.96 -45.61 92.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.3 109.353 -179.861 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.28 -34.29 72.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.93 109.263 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.88 -45.18 90.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.4 109.24 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.6 -48.38 77.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.59 108.814 179.357 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.75 -31.74 64.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.653 -0.655 . . . . 1.43 109.521 179.788 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.892 . . . . 0.65 109.613 -179.845 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.235 0.54 . . . . 2.11 109.575 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -94.26 157.48 16.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.225 -0.922 . . . . 0.64 109.628 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.52 -168.69 2.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.397 -0.815 . . . . 0.49 109.325 -179.89 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.63 148.9 28.51 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.595 -0.891 . . . . 0.47 108.595 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.77 134.98 27.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.42 109.737 -178.648 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -84.86 130.01 34.72 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.509 -0.922 . . . . 1.81 108.509 179.112 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.39 110.83 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.459 -0.775 . . . . 0.42 109.213 -179.668 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.73 145.67 42.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.68 -0.638 . . . . 2.35 109.99 -179.633 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.06 127.11 2.94 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.106 -1.198 . . . . 0.41 110.106 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -71.86 -40.92 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.43 -1.041 . . . . 2.59 109.158 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.31 -47.45 83.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.85 . . . . 2.54 109.439 -179.987 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.57 -40.64 97.52 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.27 -0.894 . . . . 3.39 109.415 -179.978 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.29 -54.57 41.82 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.483 -0.761 . . . . 0.47 109.916 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.57 -42.15 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 1.66 109.922 -179.634 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -50.11 71.21 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.286 -0.884 . . . . 0.61 110.385 -179.295 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.1 -45.04 96.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.138 -0.976 . . . . 0.33 109.037 -179.703 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.412 ' O ' ' OE1' ' C' ' 346' ' ' GLU . 13.5 ttm180 -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.313 -0.867 . . . . 3.28 109.755 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.2 -44.34 97.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.136 -0.977 . . . . 1.78 110.185 -179.505 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.38 109.36 -179.769 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -59.17 -53.89 53.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 1.2 109.597 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.14 89.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 2.12 109.661 -179.784 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.79 54.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.26 109.801 -179.616 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.04 -45.65 92.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 0.4 109.335 -179.881 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -34.34 72.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 2.09 109.306 179.849 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.78 -45.18 90.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 0.75 109.303 179.946 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.64 -48.37 77.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.259 -0.901 . . . . 2.19 108.856 179.339 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.73 -31.82 64.91 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.671 -0.643 . . . . 1.34 109.516 179.754 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.72 109.666 -179.869 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.176 0.512 . . . . 1.67 109.631 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.27 157.43 16.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.259 -0.9 . . . . 0.61 109.61 179.878 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.48 -168.72 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.456 -0.777 . . . . 0.56 109.318 -179.867 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.62 149.0 28.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.283 -0.885 . . . . 0.43 108.62 179.93 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -142.81 134.94 27.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.35 109.735 -178.62 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.85 130.03 34.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.596 -0.89 . . . . 1.37 108.596 179.084 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.37 110.69 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.5 -0.75 . . . . 0.48 109.25 -179.555 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.62 145.6 43.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.649 -0.657 . . . . 2.08 109.99 -179.607 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.15 127.08 2.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.083 -1.207 . . . . 0.4 110.083 179.519 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.83 -40.95 68.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.369 -1.077 . . . . 2.64 109.162 179.477 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.34 -47.41 83.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 2.22 109.492 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -62.61 -40.59 97.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.24 -0.913 . . . . 2.74 109.41 -179.996 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.31 -54.54 42.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.53 -0.731 . . . . 0.43 109.94 -179.711 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.53 -42.1 64.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 1.69 109.944 -179.702 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.5 -50.07 71.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.214 -0.929 . . . . 0.43 110.342 -179.218 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.08 -45.02 96.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.006 . . . . 0.27 109.048 -179.687 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' D' ' 346' ' ' GLU . 13.5 ttm180 -52.0 -43.29 63.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.196 -0.94 . . . . 2.45 109.714 179.931 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.06 -44.42 97.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.18 -0.95 . . . . 1.75 110.259 -179.515 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.8 -40.71 93.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.065 -1.022 . . . . 0.31 109.374 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -59.05 -53.93 52.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.22 109.661 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 2.0 mp0 -62.75 -38.12 89.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.73 109.614 -179.726 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.7 55.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.28 109.855 -179.628 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.06 -45.44 93.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.239 -0.913 . . . . 0.31 109.392 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.4 -34.25 72.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.91 109.286 179.855 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.91 -45.08 90.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.43 109.243 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.74 -48.37 77.28 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.318 -0.864 . . . . 1.57 108.758 179.401 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.72 -31.8 64.87 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.727 -0.608 . . . . 1.44 109.463 179.757 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -44.43 79.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 0.64 109.653 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 1.21 109.632 -179.927 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.521 -0.548 . . . . 1.7 109.521 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.9 152.5 19.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 0.61 110.153 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -141.49 137.3 31.99 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.722 -0.844 . . . . 0.58 108.722 178.92 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -93.72 163.76 13.41 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.42 109.119 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.24 130.78 14.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 0.36 110.038 -179.209 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.51 34.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.651 -0.87 . . . . 1.37 108.651 179.377 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.28 115.63 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.538 -0.726 . . . . 0.47 109.706 -179.377 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.26 156.95 33.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.447 -0.783 . . . . 2.1 109.777 179.675 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.8 138.9 2.29 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.348 -1.101 . . . . 0.42 110.348 179.331 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.42 -48.93 9.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -1.065 . . . . 2.68 109.395 179.69 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.08 -39.88 79.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -0.92 . . . . 2.22 109.101 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.94 -43.05 99.21 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.416 -0.802 . . . . 2.77 109.386 179.829 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.52 -56.0 25.31 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.544 -0.723 . . . . 0.43 109.863 -179.808 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.25 -38.61 41.63 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.224 -0.923 . . . . 1.66 109.917 -179.565 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.3 -53.98 40.41 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.126 -0.984 . . . . 0.44 110.476 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.56 -43.26 99.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.017 -1.052 . . . . 0.29 109.187 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.67 -44.5 63.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.196 -0.94 . . . . 2.44 109.208 179.454 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.9 -43.95 97.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.74 109.865 -179.874 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.78 -40.84 94.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 0.3 109.242 -179.96 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.41 -54.77 43.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.925 . . . . 1.22 109.443 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.64 -33.72 75.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.892 . . . . 1.72 109.509 -179.8 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.78 -56.33 23.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.327 -0.858 . . . . 0.27 109.847 -179.613 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.5 -45.21 95.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.29 109.485 -179.865 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.82 -34.19 72.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 1.91 109.462 179.965 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.31 -50.08 69.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.41 109.336 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.37 -47.17 83.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 1.56 109.051 179.867 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.8 -31.68 66.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.552 -0.718 . . . . 1.43 109.474 179.679 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.88 78.59 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.66 109.654 -179.831 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.18 109.239 -179.948 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.6 -0.519 . . . . 1.61 109.6 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -98.86 152.48 19.7 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.185 -0.947 . . . . 0.57 110.074 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -141.57 137.31 31.87 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.694 -0.854 . . . . 0.53 108.694 178.929 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -93.74 163.95 13.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.335 -0.853 . . . . 0.38 109.066 -179.912 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.38 130.74 14.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.36 110.087 -179.228 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.15 128.43 34.66 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.642 -0.873 . . . . 1.36 108.642 179.381 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.25 115.64 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.541 -0.724 . . . . 0.49 109.706 -179.44 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.24 156.95 33.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.429 -0.795 . . . . 2.1 109.812 179.633 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.81 138.79 2.27 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.349 -1.1 . . . . 0.44 110.349 179.359 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.31 -48.93 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -1.09 . . . . 2.72 109.386 179.713 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.21 -39.68 79.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 2.21 109.095 179.879 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.02 99.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.407 -0.808 . . . . 2.79 109.391 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.46 -56.18 23.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.568 -0.708 . . . . 0.45 109.805 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.69 40.06 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 1.68 109.964 -179.542 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.32 -53.91 41.47 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.162 -0.961 . . . . 0.43 110.552 -179.266 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.65 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.058 -1.026 . . . . 0.28 109.183 -179.575 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.222 -0.924 . . . . 2.52 109.152 179.456 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.05 -43.85 98.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 1.75 109.851 -179.825 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.75 94.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.31 109.262 -179.959 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.43 -54.7 44.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 1.21 109.513 179.792 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.69 -33.75 75.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.69 109.48 -179.897 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.26 24.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.27 109.951 -179.652 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.49 -45.31 94.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.3 109.462 -179.879 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.75 -34.24 72.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 1.93 109.494 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.21 -50.03 69.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.277 -0.89 . . . . 0.4 109.398 -179.883 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.43 -47.13 83.19 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 1.59 109.009 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.83 -31.76 66.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.51 -0.744 . . . . 1.43 109.454 179.693 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.65 109.612 -179.779 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.576 -0.527 . . . . 2.11 109.576 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -98.92 152.51 19.69 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.64 110.081 -179.936 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.56 137.3 31.86 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.721 -0.844 . . . . 0.49 108.721 178.891 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -93.7 163.87 13.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.318 -0.864 . . . . 0.47 109.105 -179.971 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.29 130.69 14.73 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.115 -0.991 . . . . 0.42 110.113 -179.197 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.12 128.48 34.67 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.597 -0.89 . . . . 1.81 108.597 179.395 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.31 115.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.463 -0.773 . . . . 0.42 109.752 -179.459 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.28 156.95 33.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.449 -0.782 . . . . 2.35 109.77 179.762 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.76 138.93 2.28 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.337 -1.105 . . . . 0.41 110.337 179.344 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -83.47 -48.84 9.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.345 -1.091 . . . . 2.59 109.395 179.702 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.15 -39.86 79.9 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.213 -0.929 . . . . 2.54 109.134 179.776 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.89 -43.15 98.87 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 3.39 109.329 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.51 -56.05 24.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.728 . . . . 0.47 109.83 -179.758 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.72 40.11 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.349 -0.845 . . . . 1.66 110.006 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.29 -53.89 41.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.22 -0.925 . . . . 0.61 110.486 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.61 -43.21 99.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.055 -1.028 . . . . 0.33 109.211 -179.595 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -51.83 -44.41 63.55 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.224 -0.922 . . . . 3.28 109.127 179.539 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.88 -43.92 97.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.78 109.924 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.81 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.38 109.195 -179.907 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.37 -54.77 43.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.194 -0.941 . . . . 1.2 109.47 179.854 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.489 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.76 -33.68 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.12 109.435 -179.774 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -56.3 23.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.26 109.973 -179.678 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.5 -45.32 94.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 0.4 109.426 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.74 -34.18 72.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.239 -0.913 . . . . 2.09 109.447 -179.984 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.24 -50.12 69.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.343 -0.848 . . . . 0.75 109.391 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.31 -47.19 83.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 2.19 109.056 179.816 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.82 -31.77 66.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.56 -0.712 . . . . 1.34 109.41 179.743 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 0.72 109.68 -179.823 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.571 -0.529 . . . . 1.67 109.571 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -98.89 152.44 19.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.231 -0.918 . . . . 0.61 110.131 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -141.51 137.36 32.02 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.713 -0.847 . . . . 0.56 108.713 178.901 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -93.72 163.97 13.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 0.43 109.109 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.35 130.76 14.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.35 110.015 -179.217 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.48 34.68 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.673 -0.862 . . . . 1.37 108.673 179.319 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.29 115.59 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.551 -0.718 . . . . 0.48 109.711 -179.408 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.26 156.95 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.419 -0.801 . . . . 2.08 109.797 179.689 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.86 138.74 2.28 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.301 -1.12 . . . . 0.4 110.301 179.293 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.25 -48.86 10.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.373 -1.075 . . . . 2.64 109.453 179.734 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.25 -39.7 79.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 2.22 109.092 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.0 99.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.419 -0.801 . . . . 2.74 109.395 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.5 -56.13 23.82 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.563 -0.71 . . . . 0.43 109.854 -179.863 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.1 -38.68 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 1.69 109.961 -179.614 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.37 -53.9 41.37 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.193 -0.942 . . . . 0.43 110.475 -179.177 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -43.24 99.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.049 -1.032 . . . . 0.27 109.185 -179.596 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.74 -44.41 63.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.243 -0.911 . . . . 2.45 109.186 179.511 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.93 -43.88 98.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.75 109.869 -179.869 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.84 -40.82 94.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.933 . . . . 0.31 109.175 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.36 -54.77 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -0.92 . . . . 1.22 109.476 179.839 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.79 -33.73 75.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.343 -0.848 . . . . 1.73 109.429 -179.74 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -56.19 25.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.28 109.944 -179.632 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.53 -45.16 95.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.31 109.516 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.92 -34.18 72.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.191 -0.943 . . . . 1.91 109.426 -179.987 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.17 -50.15 69.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.43 109.376 -179.94 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.36 -47.2 83.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.863 . . . . 1.57 108.973 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.73 -31.84 66.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 1.44 109.483 179.727 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.88 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 0.64 109.665 -179.807 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.92 . . . . 1.21 109.353 179.953 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.195 -0.668 . . . . 1.7 109.195 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -96.79 148.99 22.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.131 -0.981 . . . . 0.61 109.838 -179.934 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.53 140.75 35.28 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.373 -0.829 . . . . 0.58 108.921 179.466 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -98.19 165.08 12.05 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.303 -0.873 . . . . 0.42 109.332 -179.949 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -150.41 133.01 15.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.275 -0.891 . . . . 0.36 109.952 -179.463 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.73 126.57 34.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.382 -0.824 . . . . 1.37 108.872 179.353 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.93 114.59 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.462 -0.774 . . . . 0.47 109.871 -179.632 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.11 154.31 35.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 2.1 109.657 179.625 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.53 4.16 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.169 -1.172 . . . . 0.42 110.169 179.418 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -84.23 -51.08 7.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -1.076 . . . . 2.68 109.379 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.25 -40.92 78.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 2.22 109.125 179.84 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.17 -45.69 90.64 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.683 -0.858 . . . . 2.77 108.683 179.487 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.72 -52.65 64.15 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.647 -0.658 . . . . 0.43 109.259 179.434 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.57 -40.15 62.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 1.66 109.866 -179.73 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 24.3 ttp -62.71 -50.33 71.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.321 -0.862 . . . . 0.44 110.229 -179.577 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.08 -44.96 96.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.19 -0.944 . . . . 0.29 109.148 -179.74 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.58 60.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 2.44 109.261 179.764 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -61.33 -52.76 63.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.74 109.868 -179.646 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.22 -35.75 76.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.096 -1.003 . . . . 0.3 108.675 179.788 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.74 -57.6 12.3 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.46 -0.775 . . . . 1.22 109.387 179.522 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 1.72 109.573 179.962 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.46 -51.62 69.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.337 -0.852 . . . . 0.27 110.138 -179.447 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.77 -46.51 89.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.29 109.428 -179.741 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 1.91 109.146 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -65.38 -51.86 57.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 0.41 109.085 179.902 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.27 -37.99 85.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.276 -0.89 . . . . 1.56 108.946 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -55.73 -36.83 67.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.67 -0.644 . . . . 1.43 109.294 179.784 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.15 73.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.446 -0.784 . . . . 0.66 109.556 179.905 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 1.18 109.656 -179.843 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.209 -0.663 . . . . 1.61 109.209 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.85 148.86 22.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.202 -0.936 . . . . 0.57 109.893 -179.916 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.49 140.68 35.36 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.455 -0.778 . . . . 0.53 108.921 179.526 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.12 164.95 12.12 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.342 -0.848 . . . . 0.38 109.322 -179.896 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.29 133.04 15.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.94 . . . . 0.36 110.0 -179.544 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.77 126.55 34.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 1.36 108.932 179.337 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.96 114.56 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.418 -0.801 . . . . 0.49 109.868 -179.572 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.455 -0.778 . . . . 2.1 109.727 179.606 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.46 4.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.127 -1.189 . . . . 0.44 110.127 179.412 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -84.15 -51.04 7.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -1.082 . . . . 2.72 109.408 179.671 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.1 78.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 2.21 109.074 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.06 -45.71 90.92 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.711 -0.848 . . . . 2.79 108.711 179.508 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.66 -52.67 64.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.277 -0.638 . . . . 0.45 109.277 179.428 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.16 62.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 1.68 109.842 -179.71 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.3 ttp -62.73 -50.32 71.57 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.43 110.234 -179.563 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.19 -44.83 96.67 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.247 -0.908 . . . . 0.28 109.165 -179.751 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.65 60.27 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.167 -0.958 . . . . 2.52 109.234 179.703 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.29 -52.71 63.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 1.75 109.901 -179.612 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.27 -35.7 76.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.31 108.741 179.726 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.77 -57.64 12.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.471 -0.768 . . . . 1.21 109.382 179.476 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.57 -31.42 72.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.27 -0.894 . . . . 1.69 109.629 179.97 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.56 -51.47 69.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.27 110.147 -179.475 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.79 -46.43 89.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.076 -1.015 . . . . 0.3 109.481 -179.808 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -58.54 -34.0 70.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 1.93 109.045 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -65.34 -51.87 57.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.363 -0.835 . . . . 0.4 109.147 179.828 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.2 -38.18 85.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.84 . . . . 1.59 108.892 179.739 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.56 -36.91 67.34 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.574 -0.704 . . . . 1.43 109.273 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.38 -0.825 . . . . 0.65 109.545 179.954 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.173 -0.677 . . . . 2.11 109.173 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.79 149.03 22.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 0.64 109.774 -179.898 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -140.62 140.7 35.11 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -0.76 . . . . 0.49 108.963 179.423 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.15 165.08 12.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.402 -0.811 . . . . 0.47 109.242 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -150.43 132.95 15.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.977 . . . . 0.42 110.003 -179.512 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.68 126.55 34.03 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.895 -0.78 . . . . 1.81 108.895 179.356 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.6 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.617 -0.677 . . . . 0.42 109.861 -179.69 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.33 -0.856 . . . . 2.35 109.662 179.582 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.56 4.14 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.079 -1.208 . . . . 0.41 110.079 179.366 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.31 -51.03 7.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.24 -1.153 . . . . 2.59 109.364 179.725 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.04 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.336 -0.853 . . . . 2.54 109.114 179.839 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.02 -45.78 90.68 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.736 -0.839 . . . . 3.39 108.736 179.437 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -56.58 -52.73 63.69 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.614 -0.679 . . . . 0.47 109.245 179.435 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.18 62.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.436 -0.79 . . . . 1.66 109.815 -179.633 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.2 ttp -62.69 -50.26 71.87 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.339 -0.851 . . . . 0.61 110.269 -179.574 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.21 -44.88 96.57 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.188 -0.945 . . . . 0.33 109.165 -179.736 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.15 -41.63 60.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.156 -0.965 . . . . 3.28 109.206 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -61.19 -52.87 62.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 1.78 109.855 -179.638 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.17 -35.75 76.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.38 108.703 179.794 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.86 -57.57 12.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.546 -0.721 . . . . 1.2 109.319 179.581 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.58 -31.44 72.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 2.12 109.593 -179.972 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -51.54 69.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.351 -0.843 . . . . 0.26 110.106 -179.474 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.82 -46.45 89.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.046 -1.034 . . . . 0.4 109.432 -179.712 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.37 -34.06 70.28 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.24 -0.913 . . . . 2.09 109.163 179.821 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -65.36 -51.78 58.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.345 -0.847 . . . . 0.75 109.144 179.885 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -61.23 -38.13 85.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 2.19 109.006 179.612 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.72 -36.74 67.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.615 -0.678 . . . . 1.34 109.363 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.339 -0.85 . . . . 0.72 109.632 179.824 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.119 -0.697 . . . . 1.67 109.119 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.74 149.02 22.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.179 -0.951 . . . . 0.61 109.872 -179.947 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.56 140.72 35.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.31 -0.869 . . . . 0.56 108.932 179.475 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -98.17 165.07 12.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.43 109.29 -179.939 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.35 133.05 15.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.35 109.957 -179.505 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.9 126.66 34.25 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.84 -0.8 . . . . 1.37 108.84 179.349 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.56 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.603 -0.686 . . . . 0.48 109.895 -179.593 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.08 154.23 35.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 2.08 109.758 179.62 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.78 138.55 4.2 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.131 -1.188 . . . . 0.4 110.131 179.451 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.24 -51.11 7.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -1.08 . . . . 2.64 109.384 179.628 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.21 -41.05 78.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.889 . . . . 2.22 109.085 179.914 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.05 -45.77 90.67 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.66 -0.867 . . . . 2.74 108.66 179.47 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.63 -52.71 63.84 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.646 -0.659 . . . . 0.43 109.246 179.498 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.55 -40.23 62.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -0.772 . . . . 1.69 109.752 -179.644 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 24.2 ttp -62.68 -50.33 71.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.35 -0.843 . . . . 0.43 110.278 -179.525 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.14 -44.86 96.67 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.187 -0.946 . . . . 0.27 109.179 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -51.2 -41.54 60.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.15 -0.969 . . . . 2.45 109.282 179.737 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.31 -52.78 63.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 1.75 109.843 -179.66 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.27 -35.67 76.06 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.205 -0.934 . . . . 0.31 108.658 179.826 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.8 -57.65 12.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.432 -0.792 . . . . 1.22 109.337 179.531 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.57 -31.46 72.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 1.73 109.601 -179.999 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.48 -51.55 69.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 0.28 110.188 -179.503 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.75 -46.65 88.72 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.127 -0.983 . . . . 0.31 109.414 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.3 -34.08 70.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.938 . . . . 1.91 109.112 179.863 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -65.41 -51.71 58.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.36 -0.837 . . . . 0.43 109.189 179.887 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.22 -38.15 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 1.57 108.943 179.636 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.66 -36.75 67.42 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.616 -0.677 . . . . 1.44 109.325 179.807 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.16 73.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.64 109.47 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 1.21 109.608 -179.828 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.379 -0.601 . . . . 1.7 109.379 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.51 148.62 22.63 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.61 110.23 -179.751 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.5 137.15 35.26 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.64 -0.874 . . . . 0.58 108.64 179.083 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.6 166.15 12.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.42 109.313 -179.692 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.1 tp -149.79 129.28 13.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.36 109.693 -179.581 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.7 125.59 32.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.374 -0.828 . . . . 1.37 108.943 179.73 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -124.43 115.84 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.582 -0.699 . . . . 0.47 109.701 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -76.42 158.26 31.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 2.1 109.766 179.408 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.03 1.75 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.293 -1.123 . . . . 0.42 110.293 179.364 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 335' ' ' ARG . 0.0 OUTLIER -83.14 -47.29 11.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.358 -1.084 . . . . 2.68 108.995 179.639 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.14 -43.5 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 2.22 109.369 179.854 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' C' ' 352' ' ' ASP . 42.7 ttm180 -62.43 -42.95 99.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.398 -0.814 . . . . 2.77 109.196 179.726 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -55.39 -50.0 70.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.525 -0.735 . . . . 0.43 109.498 179.687 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.44 -39.61 61.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -0.889 . . . . 1.66 110.086 -179.632 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.05 -49.12 77.26 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.267 -0.896 . . . . 0.44 110.251 -179.282 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.64 -44.56 96.26 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.175 -0.953 . . . . 0.29 109.25 -179.713 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.89 -42.75 59.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.913 . . . . 2.44 109.458 179.632 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.03 -51.42 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 1.74 109.709 -179.882 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.8 -37.44 81.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 0.3 108.952 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.52 -54.69 44.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.323 -0.86 . . . . 1.22 109.213 179.514 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -63.18 -32.92 74.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 1.72 109.687 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -55.05 40.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 0.27 110.093 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 0.29 109.556 -179.712 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -59.24 -35.77 74.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.91 109.654 -179.91 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.24 -49.82 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 0.41 109.408 -179.841 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.74 -46.7 86.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 1.56 109.101 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 352' ' ' ASP . . . . . 0.439 ' CG ' HH22 ' C' ' 337' ' ' ARG . 2.6 m-20 -57.7 -30.9 65.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.514 -0.741 . . . . 1.43 109.433 179.613 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.92 -45.68 73.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.66 110.17 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.158 -0.964 . . . . 1.18 109.8 -179.603 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.374 -0.602 . . . . 1.61 109.374 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -96.53 148.58 22.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.25 -0.906 . . . . 0.57 110.234 -179.766 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.44 137.15 35.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.61 -0.885 . . . . 0.53 108.61 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.57 166.4 12.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.329 -0.857 . . . . 0.38 109.342 -179.728 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -150.04 129.15 12.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.36 109.665 -179.593 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.62 125.54 32.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.844 . . . . 1.36 109.031 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -124.37 115.75 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.557 -0.714 . . . . 0.49 109.744 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -76.43 158.28 31.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.852 . . . . 2.1 109.788 179.447 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.29 135.13 1.73 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.268 -1.133 . . . . 0.44 110.268 179.442 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' B' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.35 11.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -1.023 . . . . 2.72 109.024 179.631 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.19 -43.39 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 2.21 109.411 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.503 HH22 ' CG ' ' D' ' 352' ' ' ASP . 42.7 ttm180 -62.47 -42.99 99.87 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.249 -0.907 . . . . 2.79 109.183 179.699 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.33 -50.05 70.61 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.542 -0.724 . . . . 0.45 109.477 179.667 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.47 -39.55 61.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 1.68 110.02 -179.617 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.09 -49.13 77.15 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.257 -0.902 . . . . 0.43 110.234 -179.24 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.68 -44.54 96.37 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.28 109.265 -179.706 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.84 -42.84 58.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.923 . . . . 2.52 109.442 179.601 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.29 69.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.939 . . . . 1.75 109.688 -179.821 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.87 -37.43 82.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.31 108.948 179.867 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.57 -54.61 45.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 1.21 109.264 179.498 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.23 -32.9 74.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -0.86 . . . . 1.69 109.647 179.866 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -55.05 40.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 0.27 110.142 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.09 -43.87 98.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 0.3 109.598 -179.765 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.18 -35.8 74.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 1.93 109.613 -179.844 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.24 -49.82 70.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 0.4 109.4 -179.872 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.78 -46.61 87.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.375 -0.828 . . . . 1.59 109.06 -179.938 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.471 ' CG ' HH22 ' D' ' 337' ' ' ARG . 2.6 m-20 -57.83 -30.83 66.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.523 -0.736 . . . . 1.43 109.437 179.635 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 0.65 110.16 -179.655 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.366 -0.605 . . . . 2.11 109.366 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.49 148.6 22.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.216 -0.928 . . . . 0.64 110.25 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.54 137.02 35.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.672 -0.862 . . . . 0.49 108.672 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.5 166.15 12.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.311 -0.868 . . . . 0.47 109.409 -179.697 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.92 129.28 12.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 0.42 109.582 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.64 125.56 32.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.81 108.968 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -124.45 115.8 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.629 -0.67 . . . . 0.42 109.683 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -76.41 158.18 31.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.35 109.834 179.371 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 135.1 1.82 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.21 -1.156 . . . . 0.41 110.21 179.37 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' C' ' 335' ' ' ARG . 0.0 OUTLIER -83.09 -47.39 11.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -1.093 . . . . 2.59 109.014 179.557 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.12 -43.44 91.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 2.54 109.44 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.439 HH22 ' CG ' ' A' ' 352' ' ' ASP . 42.7 ttm180 -62.48 -42.96 99.85 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.351 -0.843 . . . . 3.39 109.172 179.728 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.36 -50.03 70.72 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.509 -0.744 . . . . 0.47 109.472 179.657 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.42 -39.56 61.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 1.66 110.058 -179.598 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.06 -49.1 77.31 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.184 -0.948 . . . . 0.61 110.304 -179.216 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.74 -44.56 96.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.235 -0.916 . . . . 0.33 109.194 -179.691 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.77 -42.8 58.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 3.28 109.502 179.598 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.33 69.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 1.78 109.76 -179.893 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -60.77 -37.62 82.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 0.38 108.915 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.39 -54.74 43.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.375 -0.828 . . . . 1.2 109.242 179.536 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.2 -32.8 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.389 -0.82 . . . . 2.12 109.685 179.904 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.71 -54.88 42.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.26 110.08 -179.421 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.18 -0.95 . . . . 0.4 109.526 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.13 -35.79 74.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 2.09 109.653 -179.914 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.28 -49.68 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.172 -0.955 . . . . 0.75 109.512 -179.873 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.86 -46.6 87.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.348 -0.845 . . . . 2.19 109.061 179.955 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' A' ' 337' ' ' ARG . 2.6 m-20 -57.76 -30.85 65.94 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.471 -0.768 . . . . 1.34 109.379 179.602 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 0.72 110.09 -179.591 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.417 -0.586 . . . . 1.67 109.417 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.39 148.59 22.63 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.284 -0.885 . . . . 0.61 110.232 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.6 137.0 34.97 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.678 -0.86 . . . . 0.56 108.678 179.088 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.32 166.26 12.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.291 -0.881 . . . . 0.43 109.425 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.95 129.18 12.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 0.35 109.705 -179.627 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.65 125.64 32.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.419 -0.8 . . . . 1.37 108.981 179.723 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.4 115.86 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.521 -0.737 . . . . 0.48 109.733 -179.548 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 158.22 31.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.32 -0.862 . . . . 2.08 109.796 179.375 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.11 1.77 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.258 -1.137 . . . . 0.4 110.258 179.373 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.566 ' HG2' HH11 ' D' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.39 11.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.427 -1.043 . . . . 2.64 108.993 179.621 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.13 -43.35 91.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 2.22 109.407 179.871 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.471 HH22 ' CG ' ' B' ' 352' ' ' ASP . 42.7 ttm180 -62.54 -42.91 99.84 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.284 -0.885 . . . . 2.74 109.153 179.757 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.37 -50.02 70.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.524 -0.735 . . . . 0.43 109.497 179.694 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.41 -39.66 61.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.69 110.051 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.07 -49.11 77.28 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.157 -0.964 . . . . 0.43 110.233 -179.209 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.208 -0.932 . . . . 0.27 109.181 -179.65 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.76 -42.83 58.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 2.45 109.475 179.624 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.98 -51.4 69.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 1.75 109.712 -179.842 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.74 -37.55 82.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.113 -0.992 . . . . 0.31 108.972 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.48 -54.65 44.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.396 -0.815 . . . . 1.22 109.222 179.546 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.21 -32.96 74.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.73 109.71 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.53 -55.01 40.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.28 110.103 -179.481 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.14 -43.68 98.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.31 109.579 -179.748 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.32 -35.77 74.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -0.936 . . . . 1.91 109.563 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.9 tp -64.22 -49.85 70.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.138 -0.976 . . . . 0.43 109.427 -179.87 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.73 -46.71 86.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.57 109.05 179.995 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.503 ' CG ' HH22 ' B' ' 337' ' ' ARG . 2.6 m-20 -57.73 -30.82 65.86 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.471 -0.768 . . . . 1.44 109.445 179.667 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.62 73.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 0.64 110.129 -179.594 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 1.21 109.705 -179.522 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.25 0.548 . . . . 1.7 109.612 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 30.5 m-85 -95.13 151.12 19.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.269 -0.895 . . . . 0.61 109.471 179.802 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -141.32 138.57 33.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.2 -0.937 . . . . 0.58 109.325 179.621 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.3 165.79 11.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.45 -0.781 . . . . 0.42 109.069 179.817 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.3 tp -149.54 133.55 17.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.081 -1.012 . . . . 0.36 109.885 -179.601 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.47 126.85 33.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 1.37 108.734 179.558 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.7 mt -124.17 110.03 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 CA-C-O 121.575 0.702 . . . . 0.47 109.755 -179.565 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.73 148.97 38.15 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.608 -0.683 . . . . 2.1 109.412 179.44 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.39 132.52 5.52 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.214 -1.154 . . . . 0.42 110.214 179.544 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.12 -43.09 16.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -1.092 . . . . 2.68 109.172 179.587 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.51 -46.86 87.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.348 -0.845 . . . . 2.22 109.637 -179.919 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.473 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 16.6 ttm-85 -63.32 -40.42 97.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.265 -0.897 . . . . 2.77 109.803 -179.614 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.6 -54.19 24.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.43 109.449 179.973 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -52.73 -37.07 58.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.192 -0.942 . . . . 1.66 109.802 179.928 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.5 -51.78 64.08 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.3 -0.875 . . . . 0.44 110.419 -179.453 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.04 -43.95 94.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.09 -1.007 . . . . 0.29 109.115 -179.86 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.82 -43.31 58.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.234 -0.916 . . . . 2.44 109.348 179.703 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.16 -51.11 71.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 1.74 109.765 -179.729 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.28 -39.06 85.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.125 -0.984 . . . . 0.3 108.694 179.685 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.19 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.526 -0.734 . . . . 1.22 109.67 179.725 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.39 -34.87 78.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 1.72 110.096 -179.62 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.2 38.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.182 -0.949 . . . . 0.27 110.159 -179.485 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.94 -38.94 87.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.296 -0.877 . . . . 0.29 109.623 -179.613 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.95 -39.68 86.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.098 -1.001 . . . . 1.91 108.743 179.226 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.35 -47.34 79.68 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.608 -0.886 . . . . 0.41 108.608 179.528 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.49 -45.66 91.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 122.03 0.919 . . . . 1.56 108.91 179.423 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.02 -31.13 60.83 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.224 0.535 . . . . 1.43 109.726 -179.786 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.51 85.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.66 109.497 -179.964 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.18 109.715 -179.924 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.233 0.54 . . . . 1.61 109.61 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.3 m-85 -95.17 151.06 19.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.266 -0.896 . . . . 0.57 109.416 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.32 138.56 33.21 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.53 109.32 179.517 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.22 165.83 11.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 0.38 109.105 179.791 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.56 133.61 17.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.068 -1.02 . . . . 0.36 109.882 -179.701 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.48 126.94 33.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 1.36 108.767 179.495 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -124.21 110.09 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 CA-C-O 121.639 0.733 . . . . 0.49 109.733 -179.521 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.77 148.92 38.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 2.1 109.377 179.434 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.153 -1.179 . . . . 0.44 110.153 179.462 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.14 -43.1 16.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -1.099 . . . . 2.72 109.129 179.585 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.52 -46.94 87.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.265 -0.897 . . . . 2.21 109.598 -179.88 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.48 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 16.7 ttm-85 -63.29 -40.43 97.35 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.254 -0.904 . . . . 2.79 109.798 -179.516 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.55 -54.26 23.9 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.316 -0.865 . . . . 0.45 109.395 179.979 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.83 -36.95 59.43 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 1.68 109.727 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.52 -51.93 63.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.296 -0.878 . . . . 0.43 110.366 -179.472 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.86 -44.03 94.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.28 109.134 -179.835 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.79 -43.32 58.64 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.292 -0.88 . . . . 2.52 109.39 179.732 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.09 -51.19 70.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 1.75 109.731 -179.758 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' B' ' 344' ' ' LEU . 36.9 mt -60.28 -39.03 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.147 -0.97 . . . . 0.31 108.703 179.729 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.22 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.772 . . . . 1.21 109.684 179.751 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.31 -34.98 78.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.393 -0.817 . . . . 1.69 110.061 -179.653 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.35 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 0.27 110.175 -179.509 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -60.85 -39.04 87.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.3 109.599 -179.559 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -59.98 -39.58 86.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.043 -1.036 . . . . 1.93 108.763 179.214 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.509 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.36 -47.17 80.33 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.58 -0.896 . . . . 0.4 108.58 179.518 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.74 -45.79 91.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.321 -0.862 . . . . 1.59 108.833 179.46 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.97 -31.02 60.4 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 116.126 -0.488 . . . . 1.43 109.722 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.862 . . . . 0.65 109.451 -179.939 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.338 0.589 . . . . 2.11 109.571 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 31.3 m-85 -95.11 151.09 19.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.252 -0.905 . . . . 0.64 109.489 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -141.3 138.59 33.28 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.205 -0.934 . . . . 0.49 109.326 179.601 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.32 165.8 11.85 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.504 -0.747 . . . . 0.47 109.067 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.6 tp -149.55 133.58 17.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.42 109.864 -179.646 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.43 126.84 33.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 1.81 108.822 179.502 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.13 110.13 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.524 -0.735 . . . . 0.42 109.725 -179.515 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -75.89 148.95 37.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.622 -0.673 . . . . 2.35 109.424 179.427 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.43 132.64 5.57 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.172 -1.171 . . . . 0.41 110.172 179.595 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.22 -43.04 16.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.126 . . . . 2.59 109.179 179.529 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.318 -0.864 . . . . 2.54 109.614 -179.93 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' NH1' ' C' ' 337' ' ' ARG . 16.5 ttm-85 -63.3 -40.45 97.38 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.244 -0.91 . . . . 3.39 109.808 -179.608 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -50.55 -54.26 23.86 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.217 -0.927 . . . . 0.47 109.397 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -52.81 -36.98 59.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 1.66 109.726 -179.998 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.59 -51.77 63.86 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.286 -0.883 . . . . 0.61 110.357 -179.421 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.03 -43.87 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.072 -1.018 . . . . 0.33 109.181 -179.834 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.93 -43.23 60.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 3.28 109.351 179.695 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.13 -51.15 70.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.416 -0.803 . . . . 1.78 109.775 -179.771 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.31 -39.06 85.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 0.38 108.718 179.692 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.1 -55.39 35.71 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.535 -0.728 . . . . 1.2 109.68 179.67 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.28 -35.03 79.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.373 -0.83 . . . . 2.12 110.081 -179.614 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -55.27 37.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.26 110.19 -179.465 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.95 -38.98 87.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.306 -0.871 . . . . 0.4 109.557 -179.596 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.9 -39.69 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.029 -1.044 . . . . 2.09 108.716 179.211 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.514 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.42 -47.03 80.68 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.591 -0.892 . . . . 0.75 108.591 179.612 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.81 -45.76 91.33 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.849 0.833 . . . . 2.19 108.862 179.362 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.86 -31.08 59.24 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.241 0.543 . . . . 1.34 109.807 -179.885 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.302 -0.873 . . . . 0.72 109.451 -179.905 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.283 0.563 . . . . 1.67 109.591 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 31.3 m-85 -95.22 151.08 19.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 0.61 109.366 179.877 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.34 138.57 33.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.158 -0.964 . . . . 0.56 109.367 179.522 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.24 165.83 11.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.494 -0.754 . . . . 0.43 109.105 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.54 133.57 17.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.015 -1.053 . . . . 0.35 109.889 -179.635 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.51 126.91 33.72 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.344 -0.847 . . . . 1.37 108.778 179.525 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -124.18 110.09 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.568 -0.707 . . . . 0.48 109.777 -179.535 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.83 148.97 37.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.601 -0.687 . . . . 2.08 109.405 179.477 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.181 -1.168 . . . . 0.4 110.181 179.561 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.19 -43.13 16.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -1.066 . . . . 2.64 109.147 179.58 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.45 -46.95 87.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.304 -0.873 . . . . 2.22 109.646 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.479 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 16.7 ttm-85 -63.34 -40.33 97.0 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 2.74 109.795 -179.542 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -50.57 -54.28 23.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.3 -0.875 . . . . 0.43 109.386 179.982 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -52.73 -37.03 58.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.69 109.781 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.56 -51.84 63.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.249 -0.907 . . . . 0.43 110.388 -179.4 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.87 -43.99 94.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.122 -0.986 . . . . 0.27 109.169 -179.922 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.9 -43.3 59.75 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.19 -0.944 . . . . 2.45 109.351 179.785 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.08 -51.17 70.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 1.75 109.754 -179.798 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.31 -39.09 85.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.146 -0.971 . . . . 0.31 108.652 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.13 -55.33 36.36 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.515 -0.74 . . . . 1.22 109.657 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -0.808 . . . . 1.73 110.06 -179.638 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -55.3 36.84 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.28 110.168 -179.466 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.88 -38.98 87.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 0.31 109.625 -179.582 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -60.05 -39.55 86.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.91 108.743 179.233 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.515 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.53 -47.23 79.59 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.558 -0.904 . . . . 0.43 108.558 179.535 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.62 -45.61 91.45 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.953 0.883 . . . . 1.57 108.789 179.498 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.09 -31.02 60.88 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.154 0.502 . . . . 1.44 109.695 -179.78 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 0.64 109.525 179.961 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.324 -0.86 . . . . 1.21 109.74 -179.954 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.274 0.559 . . . . 1.7 109.525 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 37.0 m-85 -95.15 148.7 22.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.187 -0.946 . . . . 0.61 109.72 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.82 137.72 33.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.319 -0.863 . . . . 0.58 109.091 179.355 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.64 162.94 13.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.387 -0.82 . . . . 0.42 108.905 179.832 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -149.13 132.08 16.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.089 -1.007 . . . . 0.36 109.922 -179.364 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -84.18 125.51 32.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 1.37 108.975 179.436 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.97 116.3 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.599 -0.688 . . . . 0.47 109.492 -179.663 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.51 34.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.932 . . . . 2.1 109.922 179.902 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.73 137.67 2.42 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.518 -1.033 . . . . 0.42 110.518 179.187 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -83.08 -46.38 12.87 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.372 -1.075 . . . . 2.68 109.196 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.88 -45.7 85.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 2.22 109.135 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.24 -43.92 98.09 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.334 -0.854 . . . . 2.77 109.109 179.69 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.25 -58.45 7.65 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.643 -0.661 . . . . 0.43 109.423 179.891 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.53 -35.48 40.81 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.277 -0.89 . . . . 1.66 109.653 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.8 ttp -64.2 -53.71 45.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.44 110.163 -179.561 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -43.29 99.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.29 108.998 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.54 -42.06 61.53 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.261 -0.899 . . . . 2.44 109.328 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -60.68 -46.1 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 1.74 109.702 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.12 -45.02 96.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 0.3 109.279 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.76 75.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 1.22 109.247 179.769 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.2 -36.95 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 1.72 109.427 179.904 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.64 -50.6 73.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.857 . . . . 0.27 109.678 -179.791 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.74 -43.02 99.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -0.889 . . . . 0.29 109.428 -179.953 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.73 -39.48 80.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.907 . . . . 1.91 109.196 179.789 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.5 tt -63.65 -42.38 98.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.523 -0.917 . . . . 0.41 108.523 179.652 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -58.71 -52.14 66.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 1.56 108.54 179.378 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.55 -29.1 64.11 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.837 -0.539 . . . . 1.43 109.574 179.853 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.71 71.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 0.66 109.405 -179.747 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.864 . . . . 1.18 109.538 179.718 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.485 -0.561 . . . . 1.61 109.485 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.5 m-85 -95.19 148.68 22.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.22 -0.925 . . . . 0.57 109.762 179.957 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.77 137.67 33.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.35 -0.844 . . . . 0.53 109.092 179.4 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.61 162.86 13.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.383 -0.823 . . . . 0.38 108.997 179.756 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 45.7 tp -149.09 132.12 16.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.36 109.909 -179.338 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.27 125.58 32.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.395 -0.815 . . . . 1.36 108.96 179.477 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.93 116.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.584 -0.698 . . . . 0.49 109.545 -179.622 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -76.42 155.37 34.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.229 -0.919 . . . . 2.1 109.997 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.81 137.75 2.48 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.493 -1.043 . . . . 0.44 110.493 179.238 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.19 -46.34 12.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -1.095 . . . . 2.72 109.181 179.508 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 -45.8 85.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.291 -0.88 . . . . 2.21 109.127 179.844 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -61.16 -43.94 98.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.289 -0.882 . . . . 2.79 109.131 179.705 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.24 -58.51 7.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.552 -0.718 . . . . 0.45 109.415 179.889 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.37 -35.57 39.26 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.338 -0.851 . . . . 1.68 109.63 -179.743 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.2 -53.8 43.56 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.43 110.051 -179.423 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.28 -43.35 99.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 0.28 109.036 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.45 -42.12 61.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.874 . . . . 2.52 109.388 179.634 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 15.8 tp10 -60.65 -46.16 91.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.75 109.708 -179.912 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.07 -44.98 96.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.302 -0.874 . . . . 0.31 109.356 -179.986 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.48 -49.85 74.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.207 -0.933 . . . . 1.21 109.181 179.741 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.06 -36.94 83.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.69 109.521 179.884 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.7 -50.53 73.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.361 -0.837 . . . . 0.27 109.713 -179.786 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.69 -43.11 99.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.895 . . . . 0.3 109.43 -179.995 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.62 -39.54 80.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.93 109.162 179.759 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.5 tt -63.54 -42.3 98.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.484 -0.932 . . . . 0.4 108.484 179.666 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -52.24 66.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 1.59 108.598 179.359 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.51 -29.07 64.01 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.186 0.517 . . . . 1.43 109.617 179.786 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.65 109.477 -179.745 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.288 0.566 . . . . 2.11 109.546 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.4 m-85 -95.18 148.64 22.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.198 -0.939 . . . . 0.64 109.792 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.74 137.67 33.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.49 109.105 179.412 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.9 p -96.62 162.74 13.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.391 -0.818 . . . . 0.47 108.963 179.814 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -148.91 132.23 16.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.048 -1.032 . . . . 0.42 109.923 -179.324 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.36 125.58 32.43 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.899 -0.778 . . . . 1.81 108.899 179.507 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -123.91 116.31 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.597 -0.69 . . . . 0.42 109.539 -179.675 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.51 155.49 33.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.219 -0.926 . . . . 2.35 109.896 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.82 137.66 2.46 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.446 -1.062 . . . . 0.41 110.446 179.164 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.17 -46.31 12.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.408 -1.054 . . . . 2.59 109.226 179.528 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.8 -45.7 85.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.909 . . . . 2.54 109.187 179.755 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.25 -44.01 97.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 3.39 109.091 179.721 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.22 -58.43 7.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.586 -0.696 . . . . 0.47 109.425 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.43 -35.58 40.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.848 . . . . 1.66 109.607 -179.742 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.17 -53.8 43.65 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -0.958 . . . . 0.61 110.057 -179.463 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.35 -43.28 99.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.976 . . . . 0.33 108.985 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.59 -42.01 61.6 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.292 -0.88 . . . . 3.28 109.386 179.692 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 15.6 tp10 -60.65 -46.19 91.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.29 -0.881 . . . . 1.78 109.641 -179.965 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.16 -45.04 96.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.38 109.26 -179.876 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.81 75.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 1.2 109.184 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.04 -37.02 83.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.392 -0.818 . . . . 2.12 109.52 179.886 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.65 -50.5 73.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.26 109.731 -179.76 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.79 -43.03 99.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.4 109.361 -179.954 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.67 -39.47 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.942 . . . . 2.09 109.228 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.5 tt -63.52 -42.33 98.45 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.486 -0.931 . . . . 0.75 108.486 179.629 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -52.27 66.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 2.19 108.598 179.366 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.46 -29.08 63.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.856 -0.528 . . . . 1.34 109.619 179.781 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.72 109.406 -179.695 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.26 0.552 . . . . 1.67 109.554 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 37.4 m-85 -95.24 148.63 22.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.891 . . . . 0.61 109.811 179.947 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.77 137.63 33.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.34 -0.85 . . . . 0.56 109.097 179.445 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 47.1 p -96.53 162.82 13.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.363 -0.835 . . . . 0.43 108.922 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 45.6 tp -148.99 132.23 16.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.048 -1.032 . . . . 0.35 109.927 -179.396 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.33 125.61 32.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.449 -0.782 . . . . 1.37 108.893 179.497 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.04 116.24 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.527 -0.733 . . . . 0.48 109.512 -179.645 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.46 34.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 2.08 109.913 179.919 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.76 137.66 2.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.476 -1.05 . . . . 0.4 110.476 179.135 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.05 -46.34 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -1.075 . . . . 2.64 109.232 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.84 -45.73 85.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 2.22 109.138 179.841 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.397 -0.815 . . . . 2.74 109.099 179.758 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.17 -58.42 7.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.504 -0.748 . . . . 0.43 109.467 179.876 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.56 -35.5 41.29 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.355 -0.841 . . . . 1.69 109.621 -179.737 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.14 -53.84 43.16 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.287 -0.883 . . . . 0.43 110.093 -179.514 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.29 -43.28 99.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.27 109.055 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.49 -42.07 61.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 2.45 109.426 179.653 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -60.69 -46.17 91.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 1.75 109.634 -179.906 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.8 mt -61.09 -44.99 96.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.234 -0.917 . . . . 0.31 109.302 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -57.53 -49.74 75.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.166 -0.959 . . . . 1.22 109.179 179.794 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.1 -36.92 83.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.905 . . . . 1.73 109.517 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.75 -50.52 73.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.28 109.695 -179.733 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.76 -43.05 99.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.886 . . . . 0.31 109.358 -179.971 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.74 -39.45 80.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 1.91 109.168 179.849 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.567 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -63.69 -42.3 98.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.43 108.527 179.659 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.479 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -58.83 -51.99 67.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.018 -1.051 . . . . 1.57 108.605 179.403 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.6 -29.14 64.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.27 0.557 . . . . 1.44 109.615 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.66 71.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.195 -0.941 . . . . 0.64 109.384 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 1.21 109.491 179.763 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.261 0.553 . . . . 1.7 109.796 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.23 156.43 16.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.303 -0.873 . . . . 0.61 109.254 179.665 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.33 -170.08 2.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.36 -0.837 . . . . 0.58 109.23 179.624 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.2 p -153.51 147.11 25.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.151 -0.968 . . . . 0.42 109.129 -179.961 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.2 136.72 33.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.438 -0.789 . . . . 0.36 109.804 -179.048 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.67 33.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.701 -0.625 . . . . 1.37 109.345 179.185 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -123.35 116.5 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.656 -0.868 . . . . 0.47 108.656 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -73.75 152.8 40.25 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.32 -0.863 . . . . 2.1 109.918 -179.577 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.46 141.07 2.67 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.095 -1.202 . . . . 0.42 110.095 179.392 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.4 -48.62 11.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.378 -1.072 . . . . 2.68 109.281 179.688 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.84 -37.56 74.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.093 -1.005 . . . . 2.22 109.047 179.841 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.96 -42.98 99.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.218 -0.926 . . . . 2.77 108.844 179.362 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.1 -56.05 25.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.552 -0.717 . . . . 0.43 109.6 179.697 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.89 -38.46 56.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.863 . . . . 1.66 109.756 -179.768 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.76 -53.07 59.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.289 -0.882 . . . . 0.44 110.087 -179.418 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.24 -45.79 93.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.147 -0.971 . . . . 0.29 108.958 -179.934 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.32 -41.87 60.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.295 -0.878 . . . . 2.44 109.352 179.788 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.96 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 1.74 109.848 -179.597 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.09 -40.4 93.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.207 -0.933 . . . . 0.3 108.833 179.833 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.03 -53.73 55.07 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 1.22 109.432 179.488 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.17 -34.05 75.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.375 -0.828 . . . . 1.72 109.382 179.993 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.26 -48.38 80.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.27 109.214 -179.985 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.51 -46.39 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.383 -0.823 . . . . 0.29 109.353 179.588 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.1 -35.78 74.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 1.91 109.53 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.51 -51.7 61.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.41 109.569 -179.801 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.79 -43.93 97.52 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.433 -0.792 . . . . 1.56 109.063 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.59 -33.43 66.21 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.54 -0.725 . . . . 1.43 109.68 179.885 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -51.29 52.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 0.66 109.815 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 1.18 109.782 -179.77 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.205 0.526 . . . . 1.61 109.749 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.14 156.47 16.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.328 -0.857 . . . . 0.57 109.323 179.569 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.33 -170.1 2.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.413 -0.804 . . . . 0.53 109.218 179.609 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.6 p -153.57 147.04 24.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.301 -0.874 . . . . 0.38 109.136 -179.868 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.24 136.73 33.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.36 109.751 -179.037 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.79 33.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.634 -0.666 . . . . 1.36 109.287 179.197 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.42 116.5 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 108.672 -0.862 . . . . 0.49 108.672 179.469 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.75 152.78 40.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.383 -0.823 . . . . 2.1 109.94 -179.581 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.52 141.04 2.69 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.423 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -81.36 -48.62 11.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -1.057 . . . . 2.72 109.257 179.712 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.81 -37.57 74.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.21 109.115 179.837 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -62.0 -42.92 99.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.203 -0.935 . . . . 2.79 108.835 179.45 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.08 -56.03 25.79 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.606 -0.684 . . . . 0.45 109.622 179.659 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.81 -38.43 55.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.786 . . . . 1.68 109.869 -179.847 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.82 -53.07 59.97 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.174 -0.954 . . . . 0.43 110.081 -179.439 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.27 -45.83 92.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.204 -0.935 . . . . 0.28 108.949 -179.917 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.26 -41.84 60.67 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.279 -0.888 . . . . 2.52 109.47 179.731 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.94 -53.48 57.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.213 -0.93 . . . . 1.75 109.919 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.1 -40.42 93.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 0.31 108.848 179.746 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.05 -53.74 54.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.401 -0.812 . . . . 1.21 109.412 179.534 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -61.97 -34.3 75.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 1.69 109.423 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -48.32 80.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 0.27 109.231 -179.938 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.69 -46.16 89.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.358 -0.839 . . . . 0.3 109.37 179.623 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.24 -35.77 74.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.93 109.574 179.939 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.5 -51.75 61.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.4 109.498 -179.81 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.75 -43.95 97.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.325 -0.859 . . . . 1.59 109.061 -179.951 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.62 -33.28 66.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.494 -0.754 . . . . 1.43 109.726 179.881 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.65 109.766 -179.681 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.199 0.523 . . . . 2.11 109.746 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.2 156.49 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.266 -0.896 . . . . 0.64 109.324 179.566 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.43 -170.07 2.66 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.451 -0.78 . . . . 0.49 109.202 179.634 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.8 p -153.56 147.15 25.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -0.885 . . . . 0.47 109.139 -179.876 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.4 136.67 33.33 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.406 -0.809 . . . . 0.42 109.736 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.07 132.64 34.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.7 -0.625 . . . . 1.81 109.45 179.133 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.4 116.51 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 N-CA-C 108.672 -0.862 . . . . 0.42 108.672 179.493 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.77 152.78 40.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.391 -0.818 . . . . 2.35 109.954 -179.579 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.03 2.68 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.091 -1.204 . . . . 0.41 110.091 179.361 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -81.42 -48.49 11.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.308 -1.113 . . . . 2.59 109.281 179.735 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -37.5 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 2.54 109.121 179.831 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.225 -0.922 . . . . 3.39 108.88 179.381 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -56.11 -56.02 25.98 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.526 -0.734 . . . . 0.47 109.629 179.616 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -51.79 -38.53 55.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.66 109.785 -179.869 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.84 -53.01 60.82 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.202 -0.936 . . . . 0.61 110.084 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.26 -45.83 92.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.121 -0.987 . . . . 0.33 108.952 -179.996 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -51.3 -41.92 60.8 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.24 -0.912 . . . . 3.28 109.389 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.91 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.78 109.827 -179.567 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.117 -0.989 . . . . 0.38 108.855 179.791 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.0 -53.75 54.88 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.486 -0.758 . . . . 1.2 109.393 179.495 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.1 -34.28 76.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.454 -0.779 . . . . 2.12 109.394 -179.954 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.18 -48.23 80.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.833 . . . . 0.26 109.25 -179.926 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.66 -46.35 88.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.367 -0.833 . . . . 0.4 109.389 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.12 -35.7 73.92 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.361 -0.837 . . . . 2.09 109.538 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.56 -51.59 62.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.847 . . . . 0.75 109.54 -179.748 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.86 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.286 -0.884 . . . . 2.19 109.034 -179.96 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.65 -33.32 66.22 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.525 -0.735 . . . . 1.34 109.664 179.898 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.72 109.839 -179.67 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.26 0.552 . . . . 1.67 109.707 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.11 156.56 16.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.286 -0.884 . . . . 0.61 109.326 179.618 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.53 -170.15 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.368 -0.832 . . . . 0.56 109.221 179.686 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.4 p -153.54 147.09 25.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.236 -0.915 . . . . 0.43 109.167 -179.855 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.3 136.69 33.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.508 -0.745 . . . . 0.35 109.83 -179.057 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.75 33.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.695 -0.628 . . . . 1.37 109.343 179.199 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.36 116.5 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 108.652 -0.87 . . . . 0.48 108.652 179.528 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.83 152.78 40.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.481 -0.762 . . . . 2.08 109.896 -179.544 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.12 2.7 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.06 -1.216 . . . . 0.4 110.06 179.412 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.52 -48.43 11.84 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -1.078 . . . . 2.64 109.357 179.678 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.93 -37.56 74.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 2.22 109.027 179.793 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.226 -0.922 . . . . 2.74 108.872 179.385 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.04 -55.95 26.66 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.551 -0.718 . . . . 0.43 109.699 179.645 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.9 -38.42 56.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.524 -0.735 . . . . 1.69 109.802 -179.864 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.91 -52.95 61.09 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.207 -0.933 . . . . 0.43 110.093 -179.361 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.126 -0.984 . . . . 0.27 108.993 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.34 -41.82 60.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.313 -0.867 . . . . 2.45 109.424 179.807 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.94 -53.55 56.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.229 -0.92 . . . . 1.75 109.884 -179.636 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.0 -40.47 93.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.162 -0.962 . . . . 0.31 108.813 179.761 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.99 -53.82 54.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.499 -0.75 . . . . 1.22 109.379 179.592 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.07 -34.13 75.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 1.73 109.419 -179.977 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.23 -48.27 80.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.273 -0.892 . . . . 0.28 109.238 -179.944 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -46.5 88.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 0.31 109.361 179.537 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.99 -35.76 73.76 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.321 -0.862 . . . . 1.91 109.528 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.57 -51.61 61.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.43 109.509 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.331 -0.856 . . . . 1.57 109.054 -179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -56.67 -33.3 66.25 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.522 -0.736 . . . . 1.44 109.726 179.866 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.21 52.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.64 109.78 -179.661 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 1.21 109.732 -179.802 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.248 0.547 . . . . 1.7 109.674 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.287 -0.883 . . . . 0.61 109.594 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -138.99 139.65 37.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.352 -0.843 . . . . 0.58 108.836 179.462 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.7 p -93.77 164.79 12.99 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.42 109.164 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.65 14.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.156 -0.965 . . . . 0.36 110.104 -179.243 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.15 127.25 33.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.37 108.864 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.43 117.25 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 121.563 -0.711 . . . . 0.47 109.76 -179.514 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' A' ' 333' ' ' ARG . 19.2 ttt-85 -76.88 154.38 33.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 2.1 109.62 179.474 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.37 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.336 -1.106 . . . . 0.42 110.336 179.154 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' C' ' 326' ' ' GLU . 34.8 ttm180 -83.28 -47.4 11.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -1.091 . . . . 2.68 109.398 179.639 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.74 -42.38 93.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.958 . . . . 2.22 109.418 179.9 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.51 -41.89 97.97 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.376 -0.828 . . . . 2.77 109.554 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.04 -55.75 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.695 . . . . 0.43 109.791 -179.884 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.02 -38.06 49.04 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.272 -0.893 . . . . 1.66 109.958 -179.661 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -52.6 59.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.286 -0.884 . . . . 0.44 110.695 -179.152 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.72 -43.56 97.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.29 109.279 -179.519 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.47 -43.65 62.19 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.201 -0.937 . . . . 2.44 109.567 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.92 -46.36 91.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 1.74 109.971 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.7 mt -61.19 -42.56 98.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 0.3 109.373 -179.755 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.58 -50.64 73.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.19 -0.944 . . . . 1.22 109.594 179.97 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.34 -34.88 78.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.89 . . . . 1.72 109.865 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.49 -50.43 73.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.27 110.073 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.51 -43.75 98.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.29 109.67 -179.719 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.55 -34.66 72.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.117 -0.989 . . . . 1.91 109.433 179.938 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -64.71 -51.2 63.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 0.41 109.314 -179.883 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.03 -42.42 94.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.895 . . . . 1.56 109.035 179.843 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.36 -46.05 80.17 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.504 -0.748 . . . . 1.43 109.12 179.587 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.11 65.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.66 109.193 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.876 . . . . 1.18 109.585 179.993 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' D' ' 335' ' ' ARG . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.326 0.584 . . . . 1.61 109.699 . . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -97.85 152.94 18.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.22 -0.925 . . . . 0.57 109.625 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -138.88 139.74 38.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.283 -0.885 . . . . 0.53 108.831 179.447 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.4 p -93.9 164.8 12.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.339 -0.851 . . . . 0.38 109.176 -179.783 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.72 14.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.36 110.129 -179.201 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.2 33.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.854 -0.795 . . . . 1.36 108.854 179.528 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.41 117.12 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.491 -0.756 . . . . 0.49 109.829 -179.465 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' B' ' 333' ' ' ARG . 19.3 ttt-85 -76.66 154.38 34.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 2.1 109.607 179.508 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.94 137.24 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.386 -1.086 . . . . 0.44 110.386 179.124 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.17 -47.45 11.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.347 -1.09 . . . . 2.72 109.409 179.585 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.75 -42.52 93.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.176 -0.952 . . . . 2.21 109.374 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.31 -41.91 97.79 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.415 -0.803 . . . . 2.79 109.524 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.12 -55.7 28.16 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.493 -0.754 . . . . 0.45 109.741 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.1 -38.06 49.55 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.198 -0.939 . . . . 1.68 109.96 -179.642 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.8 -52.74 58.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 0.43 110.689 -179.205 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.65 -43.52 97.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.06 -1.025 . . . . 0.28 109.322 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.42 -43.85 62.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.251 -0.906 . . . . 2.52 109.489 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.86 -46.32 91.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.873 . . . . 1.75 110.024 -179.673 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.1 -42.57 98.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.219 -0.926 . . . . 0.31 109.436 -179.835 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.57 -50.62 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 1.21 109.652 179.96 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.33 -34.9 78.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.185 -0.947 . . . . 1.69 109.85 -179.817 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.58 -50.32 74.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 0.27 110.033 -179.51 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.63 -43.61 98.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.3 109.686 -179.723 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.61 -34.6 72.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 1.93 109.413 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -64.71 -51.29 63.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.4 109.28 -179.875 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -59.9 -42.51 94.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.21 -0.931 . . . . 1.59 109.061 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.29 -46.09 79.91 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.108 -0.701 . . . . 1.43 109.108 179.552 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.322 -0.861 . . . . 0.65 109.201 179.788 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 335' ' ' ARG . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.209 0.528 . . . . 2.11 109.7 . . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.345 -0.847 . . . . 0.64 109.639 179.874 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.94 139.65 38.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.49 108.837 179.5 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.87 164.84 12.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.293 -0.879 . . . . 0.47 109.219 -179.824 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.22 130.61 14.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.42 110.026 -179.117 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.11 127.22 33.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 1.81 108.874 179.513 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.45 117.2 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 O-C-N 121.551 -0.718 . . . . 0.42 109.753 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' C' ' 333' ' ' ARG . 19.3 ttt-85 -76.72 154.34 34.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.827 . . . . 2.35 109.641 179.44 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.98 137.17 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.364 -1.094 . . . . 0.41 110.364 179.126 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.22 -47.43 11.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -1.096 . . . . 2.59 109.379 179.657 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.46 93.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.166 -0.958 . . . . 2.54 109.383 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.353 -0.842 . . . . 3.39 109.515 -179.946 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.02 -55.74 27.52 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.473 -0.767 . . . . 0.47 109.745 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.06 -38.05 49.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.66 109.923 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.89 -52.75 58.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.253 -0.904 . . . . 0.61 110.64 -179.102 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.61 -43.66 97.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.33 109.239 -179.444 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.4 -43.74 62.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.228 -0.92 . . . . 3.28 109.554 179.763 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.42 90.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 1.78 109.969 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -42.51 98.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.141 -0.974 . . . . 0.38 109.431 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.62 -50.61 73.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 1.2 109.572 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.33 -34.93 78.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 2.12 109.877 -179.815 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.54 -50.36 74.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 0.26 110.088 -179.554 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.55 -43.59 98.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -0.88 . . . . 0.4 109.683 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -59.7 -34.53 73.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.213 -0.93 . . . . 2.09 109.473 179.987 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.71 -51.28 63.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.383 -0.823 . . . . 0.75 109.266 -179.904 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.02 -42.46 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 2.19 109.059 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.28 -46.07 79.9 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.1 -0.704 . . . . 1.34 109.1 179.549 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.358 -0.839 . . . . 0.72 109.178 179.793 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.312 0.577 . . . . 1.67 109.701 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -97.77 152.99 18.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.227 -0.92 . . . . 0.61 109.69 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -138.94 139.67 38.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.878 . . . . 0.56 108.822 179.479 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.84 164.78 12.98 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.274 -0.891 . . . . 0.43 109.187 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.75 14.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.186 -0.946 . . . . 0.35 110.044 -179.18 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.19 33.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 1.37 108.869 179.495 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.41 117.23 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.533 -0.729 . . . . 0.48 109.731 -179.474 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' D' ' 333' ' ' ARG . 19.4 ttt-85 -76.74 154.33 34.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.388 -0.82 . . . . 2.08 109.647 179.446 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.36 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.331 -1.108 . . . . 0.4 110.331 179.076 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' B' ' 326' ' ' GLU . 34.9 ttm180 -83.23 -47.45 11.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.39 -1.065 . . . . 2.64 109.348 179.679 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.54 93.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 2.22 109.366 179.983 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.35 -41.96 97.91 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.319 -0.863 . . . . 2.74 109.496 -179.954 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -55.06 -55.73 27.75 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.577 -0.702 . . . . 0.43 109.75 -179.794 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.07 -38.03 49.21 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.224 -0.923 . . . . 1.69 109.954 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.87 -52.71 58.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.238 -0.914 . . . . 0.43 110.711 -179.206 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.57 -43.71 96.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.12 -0.987 . . . . 0.27 109.277 -179.55 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -51.4 -43.71 62.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.279 -0.888 . . . . 2.45 109.518 179.768 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.48 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.308 -0.87 . . . . 1.75 109.947 -179.748 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.12 -42.58 98.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.31 109.414 -179.75 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -58.47 -50.7 72.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.2 -0.938 . . . . 1.22 109.651 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -63.28 -34.9 78.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 1.73 109.863 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -50.36 74.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 0.28 110.095 -179.567 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.6 -43.51 98.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.31 109.695 -179.667 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.71 -34.65 73.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.91 109.432 179.954 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.516 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -64.66 -51.26 63.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.345 -0.847 . . . . 0.43 109.328 -179.916 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.04 -42.4 94.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 1.57 109.015 179.915 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.37 -46.08 80.2 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.065 -0.717 . . . . 1.44 109.065 179.612 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.18 65.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.358 -0.839 . . . . 0.64 109.223 179.777 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 1.21 109.548 -179.989 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.421 -0.585 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.336 -0.853 . . . . 0.61 109.762 -179.815 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -138.39 -173.96 3.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.374 -0.829 . . . . 0.58 109.332 179.946 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -149.73 147.97 28.69 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.569 -0.9 . . . . 0.42 108.569 179.99 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 67.5 tp -141.18 134.21 29.2 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.834 . . . . 0.36 109.913 -178.565 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.72 127.36 34.07 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.312 -0.996 . . . . 1.37 108.312 179.137 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.52 112.25 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.431 -0.793 . . . . 0.47 109.064 -179.406 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -75.52 149.99 38.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.532 -0.73 . . . . 2.1 109.863 -179.88 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.98 134.33 5.97 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.883 -1.287 . . . . 0.42 109.883 179.529 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.6 -48.43 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -1.089 . . . . 2.68 109.419 179.785 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.86 -44.16 90.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.37 -0.831 . . . . 2.22 109.359 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.246 -0.909 . . . . 2.77 109.233 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.83 -56.68 16.77 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.43 109.667 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.61 -39.25 57.65 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.294 -0.879 . . . . 1.66 109.728 -179.807 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.12 -51.94 64.51 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.273 -0.892 . . . . 0.44 110.155 -179.237 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.96 -46.57 90.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.109 -0.994 . . . . 0.29 108.899 -179.8 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.69 -43.15 62.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 2.44 109.5 179.74 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.72 -45.45 92.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.864 . . . . 1.74 110.093 -179.579 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.51 -42.49 96.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.3 109.221 -179.985 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.72 -52.7 64.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.357 -0.839 . . . . 1.22 109.323 179.707 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.42 ' CD ' ' HZ2' ' B' ' 351' ' ' LYS . 79.4 tt0 -63.51 -35.9 81.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 1.72 109.752 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.49 57.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.2 -0.937 . . . . 0.27 109.898 -179.601 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.06 -43.59 98.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.933 . . . . 0.29 109.296 -179.882 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -35.68 73.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.91 109.143 179.87 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.8 -44.19 94.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.435 -0.791 . . . . 0.41 109.329 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.99 -42.82 99.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 1.56 108.763 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -57.74 -29.51 64.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.622 -0.674 . . . . 1.43 109.388 179.547 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.79 84.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.66 109.911 -179.734 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.18 109.39 -179.819 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.387 -0.598 . . . . 1.61 109.387 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.212 -0.93 . . . . 0.57 109.726 -179.803 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -138.35 -173.94 3.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.53 109.338 179.996 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -149.7 148.08 28.83 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.984 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.32 134.16 28.87 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.379 -0.826 . . . . 0.36 109.776 -178.524 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.68 127.37 34.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.326 -0.991 . . . . 1.36 108.326 179.085 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.48 112.23 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.399 -0.813 . . . . 0.49 109.184 -179.473 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.53 149.97 38.26 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.73 . . . . 2.1 109.816 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.35 5.98 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.921 -1.272 . . . . 0.44 109.921 179.498 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.63 -48.48 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -1.112 . . . . 2.72 109.318 179.882 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.8 -44.13 90.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.288 -0.883 . . . . 2.21 109.409 179.91 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.42 99.54 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.216 -0.928 . . . . 2.79 109.253 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.79 -56.68 16.75 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.514 -0.741 . . . . 0.45 109.69 -179.929 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.65 -39.23 57.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.841 . . . . 1.68 109.789 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.14 -51.9 64.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.43 110.191 -179.321 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.95 -46.6 90.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.28 108.899 -179.856 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.59 -43.2 62.4 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.368 -0.832 . . . . 2.52 109.573 179.716 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -59.68 -45.55 91.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 1.75 109.968 -179.563 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.56 -42.43 96.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.131 -0.981 . . . . 0.31 109.177 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.75 -52.66 64.75 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 1.21 109.365 179.684 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.5 -35.98 82.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 1.69 109.729 -179.945 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.65 55.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 0.27 109.919 -179.627 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.11 -43.5 98.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.96 . . . . 0.3 109.24 -179.785 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -59.0 -35.7 73.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 1.93 109.239 179.753 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.8 -44.2 94.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.307 -0.871 . . . . 0.4 109.25 179.832 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ2' ' CD ' ' A' ' 346' ' ' GLU . 11.5 ttmm -61.0 -42.96 99.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 1.59 108.792 179.911 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.63 -29.46 64.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.579 -0.7 . . . . 1.43 109.416 179.458 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.65 109.873 -179.668 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.41 -0.589 . . . . 2.11 109.41 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -93.96 145.91 24.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.902 . . . . 0.64 109.719 -179.748 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -138.3 -173.93 3.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.421 -0.799 . . . . 0.49 109.343 179.993 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.6 p -149.74 148.1 28.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.557 -0.905 . . . . 0.47 108.557 179.892 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 67.4 tp -141.29 134.24 29.05 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.368 -0.832 . . . . 0.42 109.825 -178.534 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.73 127.42 34.1 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.342 -0.984 . . . . 1.81 108.342 179.073 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.55 112.15 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.486 -0.759 . . . . 0.42 109.174 -179.421 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.5 150.01 38.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.543 -0.723 . . . . 2.35 109.874 -179.791 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.94 134.36 5.96 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.922 -1.271 . . . . 0.41 109.922 179.554 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -79.58 -48.43 13.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.423 -1.045 . . . . 2.59 109.369 179.845 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.89 -44.16 91.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.845 . . . . 2.54 109.332 179.898 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.63 -42.3 99.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.339 -0.85 . . . . 3.39 109.283 179.907 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.86 -56.64 17.28 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.513 -0.742 . . . . 0.47 109.637 -179.954 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.73 -39.17 57.96 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.42 -0.8 . . . . 1.66 109.783 -179.753 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.15 -51.86 64.76 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.293 -0.879 . . . . 0.61 110.244 -179.286 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.01 -46.56 90.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.33 108.904 -179.884 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.63 -43.11 62.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.307 -0.87 . . . . 3.28 109.527 179.701 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.84 -45.42 92.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.78 110.0 -179.539 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.61 -42.3 96.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.943 . . . . 0.38 109.241 -179.942 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -58.88 -52.59 65.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.895 . . . . 1.2 109.356 179.673 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.48 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 2.12 109.764 -179.964 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.55 56.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.26 109.958 -179.605 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.01 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.176 -0.952 . . . . 0.4 109.377 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.02 -35.74 73.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 2.09 109.218 179.779 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.85 -44.12 94.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 0.75 109.25 179.937 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.427 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 11.5 ttmm -61.04 -42.93 99.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.335 -0.853 . . . . 2.19 108.755 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.67 -29.44 64.64 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.666 -0.646 . . . . 1.34 109.452 179.486 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.72 109.92 -179.668 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.411 -0.588 . . . . 1.67 109.411 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.96 145.87 24.33 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.26 -0.9 . . . . 0.61 109.728 -179.81 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -138.26 -173.9 3.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.382 -0.824 . . . . 0.56 109.302 179.995 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.76 148.05 28.75 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.528 -0.916 . . . . 0.43 108.528 179.938 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.25 134.21 29.07 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.315 -0.865 . . . . 0.35 109.848 -178.554 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.72 127.39 34.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.28 -1.008 . . . . 1.37 108.28 179.12 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.45 112.32 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.483 -0.761 . . . . 0.48 109.196 -179.549 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -75.65 150.06 38.04 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.545 -0.722 . . . . 2.08 109.819 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.37 5.99 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.889 -1.284 . . . . 0.4 109.889 179.556 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.71 -48.41 13.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -1.077 . . . . 2.64 109.357 179.787 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -44.16 90.96 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 2.22 109.341 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -62.6 -42.29 99.48 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.242 -0.911 . . . . 2.74 109.294 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.9 -56.69 16.81 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.578 -0.702 . . . . 0.43 109.591 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.69 -39.18 57.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 1.69 109.773 -179.749 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.04 -51.98 64.65 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.201 -0.937 . . . . 0.43 110.229 -179.374 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.95 -46.62 89.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.065 -1.022 . . . . 0.27 108.932 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.59 -43.18 62.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -0.848 . . . . 2.45 109.567 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.73 -45.43 92.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.312 -0.868 . . . . 1.75 110.037 -179.571 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.65 -42.41 96.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.31 109.197 -179.931 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.73 -52.69 64.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.309 -0.869 . . . . 1.22 109.34 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.427 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 79.4 tt0 -63.46 -35.99 82.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 1.73 109.757 -179.946 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.49 57.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.28 109.976 -179.628 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.1 -43.55 98.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.31 109.293 -179.934 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.97 -35.74 73.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 1.91 109.17 179.818 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.8 -44.16 94.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.381 -0.825 . . . . 0.43 109.324 179.875 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.03 -42.81 99.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.318 -0.864 . . . . 1.57 108.773 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -57.72 -29.52 64.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.625 -0.672 . . . . 1.44 109.35 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.85 84.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.64 109.879 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.173 -0.955 . . . . 1.21 109.415 -179.877 . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.463 -0.569 . . . . 1.7 109.463 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.54 153.41 18.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.176 -0.953 . . . . 0.61 109.469 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -135.73 -170.63 2.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.265 -0.897 . . . . 0.58 109.068 179.832 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.71 145.19 24.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.202 -0.936 . . . . 0.42 108.758 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.16 136.17 33.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.445 -0.784 . . . . 0.36 109.614 -178.502 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.17 128.64 34.93 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.464 -0.939 . . . . 1.37 108.464 179.031 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.03 116.41 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.309 0 N-CA-C 108.997 -0.742 . . . . 0.47 108.997 -179.804 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.61 152.66 39.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.728 -0.607 . . . . 2.1 110.006 -179.432 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.06 136.26 1.52 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.46 -1.056 . . . . 0.42 110.46 178.854 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -80.48 -41.6 24.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.422 -1.046 . . . . 2.68 109.057 179.313 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.39 -48.34 80.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 2.22 108.982 179.505 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.2 ttm180 -60.87 -42.53 98.1 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.463 -0.773 . . . . 2.77 109.155 179.676 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -55.12 -54.9 37.34 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.591 -0.693 . . . . 0.43 109.527 179.936 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.17 63.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.66 109.83 -179.772 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -61.66 -50.07 73.98 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.298 -0.876 . . . . 0.44 110.132 -179.133 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.77 -45.77 93.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.942 . . . . 0.29 108.902 -179.945 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -40.63 54.48 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.383 -0.823 . . . . 2.44 109.58 179.607 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.12 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 1.74 109.932 -179.588 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.91 -34.05 72.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.251 -0.905 . . . . 0.3 108.784 179.762 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.49 -57.45 12.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.535 -0.728 . . . . 1.22 109.33 179.317 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.53 -35.02 79.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.538 -0.726 . . . . 1.72 109.912 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.57 33.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.27 110.079 -179.253 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.76 -43.33 99.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.128 -0.982 . . . . 0.29 109.405 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.81 -33.43 70.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 1.91 109.093 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' B' ' 350' ' ' LEU . 2.3 tt -65.67 -52.06 54.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.428 -0.795 . . . . 0.41 109.191 -179.915 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.92 -42.36 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.314 -0.866 . . . . 1.56 109.097 179.819 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 352' ' ' ASP . . . . . 0.494 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 35.0 m-20 -57.12 -35.62 69.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.582 -0.699 . . . . 1.43 109.514 179.898 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.24 78.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.66 109.388 -179.976 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 1.18 109.608 -179.972 . . . . . . . . 0 0 . 1 . 068 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.323 0.583 . . . . 1.61 109.555 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.53 153.05 18.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.125 -0.985 . . . . 0.57 109.621 179.931 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.54 -170.63 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.25 -0.906 . . . . 0.53 109.003 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.79 144.87 23.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.267 -0.896 . . . . 0.38 108.832 179.794 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -139.92 136.12 33.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.459 -0.776 . . . . 0.36 109.711 -178.417 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.29 128.6 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.395 -0.965 . . . . 1.36 108.395 179.143 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.89 116.46 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 N-CA-C 109.03 -0.73 . . . . 0.49 109.03 -179.838 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -74.67 153.06 39.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.657 -0.652 . . . . 2.1 109.943 -179.418 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.62 136.45 1.4 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.497 -1.041 . . . . 0.44 110.497 178.991 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.58 -41.54 23.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.397 -1.06 . . . . 2.72 109.037 179.26 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.45 -48.34 81.06 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 2.21 108.97 179.512 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -60.96 -42.52 98.44 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.529 -0.732 . . . . 2.79 109.115 179.678 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.19 -54.81 38.59 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.545 -0.722 . . . . 0.45 109.547 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.17 -43.12 63.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.411 -0.806 . . . . 1.68 109.828 -179.812 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -61.75 -50.05 73.93 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.318 -0.864 . . . . 0.43 110.087 -179.087 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.73 -45.8 92.86 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.079 -1.013 . . . . 0.28 108.905 -179.977 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.73 -40.6 54.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.407 -0.808 . . . . 2.52 109.584 179.625 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.16 -49.53 77.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.313 -0.867 . . . . 1.75 109.876 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.98 -34.01 72.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.31 108.74 179.847 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.4 -57.43 13.04 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.369 -0.832 . . . . 1.21 109.374 179.302 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.62 -35.0 79.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.523 -0.736 . . . . 1.69 109.945 -179.858 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.54 33.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.291 -0.881 . . . . 0.27 109.989 -179.223 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.73 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.3 109.372 -179.777 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.83 -33.37 70.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.307 -0.871 . . . . 1.93 109.177 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' A' ' 350' ' ' LEU . 2.3 tt -65.58 -52.16 54.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.466 -0.771 . . . . 0.4 109.169 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.468 -0.77 . . . . 1.59 109.078 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.42 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 35.6 m-20 -56.98 -35.67 69.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.509 -0.745 . . . . 1.43 109.619 179.777 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.29 -0.881 . . . . 0.65 109.417 -179.907 . . . . . . . . 0 0 . 1 . 068 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.449 -0.575 . . . . 2.11 109.449 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -93.62 153.42 18.4 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.203 -0.935 . . . . 0.64 109.423 179.873 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.76 -170.64 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.218 -0.926 . . . . 0.49 109.001 179.838 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.61 145.31 24.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 0.47 108.815 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.3 136.01 32.82 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.449 -0.782 . . . . 0.42 109.612 -178.507 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.18 128.5 34.9 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.482 -0.933 . . . . 1.81 108.482 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.84 116.46 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 N-CA-C 109.034 -0.728 . . . . 0.42 109.034 -179.721 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.68 152.99 39.08 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.408 0.623 . . . . 2.35 109.964 -179.428 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.72 136.45 1.43 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.448 -1.061 . . . . 0.41 110.448 178.937 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.63 -41.42 23.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -1.097 . . . . 2.59 109.041 179.282 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.53 -48.24 81.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.413 -0.805 . . . . 2.54 108.983 179.517 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.494 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 26.2 ttm180 -60.86 -42.67 98.31 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.396 -0.815 . . . . 3.39 109.168 179.573 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.18 -54.82 38.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.569 -0.707 . . . . 0.47 109.512 179.973 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.11 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.321 -0.862 . . . . 1.66 109.822 -179.861 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.77 -49.98 74.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.346 -0.846 . . . . 0.61 110.113 -179.079 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.81 -45.73 93.28 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.192 -0.942 . . . . 0.33 109.015 179.99 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.78 -40.66 55.67 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.377 -0.827 . . . . 3.28 109.485 179.626 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.95 -49.81 76.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.87 . . . . 1.78 109.882 -179.603 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.83 -33.98 72.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 0.38 108.809 179.84 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.43 -57.6 12.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.547 -0.72 . . . . 1.2 109.285 179.276 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.36 -35.03 79.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.474 -0.766 . . . . 2.12 110.006 -179.868 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.58 33.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.26 109.998 -179.236 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.75 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.207 -0.933 . . . . 0.4 109.357 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.78 -33.44 70.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 2.09 109.098 179.741 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' D' ' 350' ' ' LEU . 2.3 tt -65.53 -52.18 54.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.341 -0.849 . . . . 0.75 109.237 -179.921 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.02 -42.3 99.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.475 -0.765 . . . . 2.19 109.021 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 35.5 m-20 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.589 -0.694 . . . . 1.34 109.556 179.837 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.72 109.436 179.999 . . . . . . . . 0 0 . 1 . 068 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.445 -0.576 . . . . 1.67 109.445 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.57 153.25 18.52 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.61 109.475 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -135.63 -170.59 2.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.307 -0.871 . . . . 0.56 108.994 179.848 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.4 p -152.65 145.4 24.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 0.43 108.83 179.745 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.43 135.89 32.5 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.408 -0.807 . . . . 0.35 109.676 -178.449 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.0 128.59 34.89 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.575 -0.898 . . . . 1.37 108.575 179.098 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.93 116.45 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 109.041 -0.726 . . . . 0.48 109.041 -179.723 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -74.62 152.99 39.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.721 -0.612 . . . . 2.08 110.074 -179.486 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.69 136.39 1.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.568 -1.013 . . . . 0.4 110.568 179.014 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -80.64 -41.59 23.6 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -1.118 . . . . 2.64 108.912 179.417 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -58.29 -48.51 80.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.403 -0.811 . . . . 2.22 108.926 179.451 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.42 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.2 ttm180 -60.85 -42.64 98.22 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.418 -0.801 . . . . 2.74 109.161 179.747 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.11 -54.87 37.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.535 -0.728 . . . . 0.43 109.507 179.895 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.05 -43.27 63.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 1.69 109.865 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.65 -50.06 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.238 -0.914 . . . . 0.43 110.141 -179.075 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.8 -45.77 93.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.27 108.93 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.71 -40.71 54.82 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.389 -0.819 . . . . 2.45 109.492 179.577 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.03 -49.6 77.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.344 -0.847 . . . . 1.75 109.915 -179.545 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.95 -33.94 72.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.185 -0.947 . . . . 0.31 108.763 179.854 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.44 -57.5 12.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.417 -0.802 . . . . 1.22 109.287 179.242 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.58 -34.99 79.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.493 -0.754 . . . . 1.73 109.923 -179.733 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -55.59 33.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 0.28 110.039 -179.234 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.75 -43.48 98.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.31 109.35 -179.729 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.74 -33.46 70.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.278 -0.889 . . . . 1.91 109.065 179.785 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' C' ' 350' ' ' LEU . 2.3 tt -65.56 -52.11 54.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.43 109.202 -179.928 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.362 -0.836 . . . . 1.57 109.053 179.826 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 35.6 m-20 -56.93 -35.65 69.3 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.59 -0.694 . . . . 1.44 109.583 179.827 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -35.23 77.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.64 109.382 -179.84 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 1.21 109.62 179.903 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.245 0.545 . . . . 1.7 109.539 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -95.55 144.69 25.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.61 109.821 -179.772 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.462 ' N ' ' OE1' ' C' ' 331' ' ' GLN . 78.4 m-85 -132.96 -172.47 2.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.451 -0.781 . . . . 0.58 109.18 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.99 151.2 31.74 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.554 -0.906 . . . . 0.42 108.554 -179.957 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.97 134.11 25.83 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.357 -0.84 . . . . 0.36 109.776 -178.515 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.835 -0.802 . . . . 1.37 108.835 179.549 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.69 111.48 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 109.032 -0.729 . . . . 0.47 109.032 -179.729 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.44 151.01 38.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.787 . . . . 2.1 109.889 -179.75 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 133.25 5.09 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.055 -1.218 . . . . 0.42 110.055 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.546 HH11 ' HG2' ' A' ' 335' ' ' ARG . 2.5 ttt-85 -79.57 -45.42 19.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -1.079 . . . . 2.68 109.038 179.683 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.12 -46.22 85.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 2.22 109.424 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -63.13 -42.24 99.48 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.277 -0.89 . . . . 2.77 109.415 179.956 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -53.83 -55.35 27.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.699 -0.626 . . . . 0.43 109.808 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.5 -39.17 60.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.873 . . . . 1.66 109.731 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.37 -52.24 62.51 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.266 -0.896 . . . . 0.44 110.603 -179.408 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.83 -48.09 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.29 109.172 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.59 -41.27 61.07 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.889 . . . . 2.44 109.683 179.774 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -58.84 -49.28 78.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.202 -0.936 . . . . 1.74 109.954 -179.543 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.22 -37.21 79.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 0.3 108.768 179.74 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.78 11.52 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.559 -0.713 . . . . 1.22 109.72 179.736 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.16 -33.53 75.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.403 -0.811 . . . . 1.72 109.904 -179.597 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.61 56.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.287 -0.883 . . . . 0.27 110.127 -179.497 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.36 -41.67 97.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.138 -0.976 . . . . 0.29 109.483 -179.826 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.58 -35.48 72.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 1.91 109.001 179.684 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -63.81 -49.75 71.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.379 -0.825 . . . . 0.41 108.816 179.658 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.89 -48.6 81.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.363 -0.836 . . . . 1.56 108.961 179.579 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -57.08 -30.57 64.42 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.214 -0.661 . . . . 1.43 109.214 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -31.68 72.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.917 . . . . 0.66 109.426 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.292 -0.88 . . . . 1.18 109.362 179.865 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.507 -0.553 . . . . 1.61 109.507 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.47 144.75 25.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.57 109.839 -179.827 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.439 ' N ' ' OE1' ' D' ' 331' ' ' GLN . 78.4 m-85 -133.01 -172.57 2.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.467 -0.77 . . . . 0.53 109.161 179.842 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.9 151.35 32.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.197 -0.94 . . . . 0.38 108.602 179.921 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -143.03 134.15 25.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.36 109.838 -178.569 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -85.87 126.35 34.0 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.89 -0.781 . . . . 1.36 108.89 179.571 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.69 111.55 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.418 -0.802 . . . . 0.49 109.0 -179.632 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.52 151.0 38.02 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 2.1 109.848 -179.697 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.89 133.41 5.15 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.967 -1.253 . . . . 0.44 109.967 179.531 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.548 HH11 ' HG2' ' B' ' 335' ' ' ARG . 2.5 ttt-85 -79.53 -45.44 19.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.355 -1.085 . . . . 2.72 109.1 179.584 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.19 -46.24 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 2.21 109.436 -179.997 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -63.17 -42.15 99.34 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.245 -0.91 . . . . 2.79 109.388 179.938 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.528 -0.733 . . . . 0.45 109.771 -179.696 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -39.08 60.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.68 109.765 -179.854 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.5 -52.19 62.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.286 -0.884 . . . . 0.43 110.573 -179.344 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.92 -48.03 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.069 -1.019 . . . . 0.28 109.136 -179.615 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.63 -41.2 61.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.307 -0.87 . . . . 2.52 109.704 179.818 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.86 -49.33 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 1.75 109.907 -179.569 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.18 79.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.076 -1.015 . . . . 0.31 108.749 179.756 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.85 11.22 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.638 -0.664 . . . . 1.21 109.735 179.711 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.08 -33.6 75.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 1.69 109.914 -179.624 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -53.69 55.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.213 -0.929 . . . . 0.27 110.084 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.34 -41.73 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.3 109.436 -179.787 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.52 -35.58 72.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 1.93 108.988 179.72 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -63.76 -49.73 71.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.893 -0.78 . . . . 0.4 108.893 179.644 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.99 -48.46 81.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 1.59 108.896 179.673 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 17.1 m-20 -57.16 -30.53 64.55 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.61 -0.682 . . . . 1.43 109.222 179.689 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.65 109.528 -179.924 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.537 -0.542 . . . . 2.11 109.537 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.55 144.8 25.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.301 -0.875 . . . . 0.64 109.799 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.408 ' N ' ' OE1' ' A' ' 331' ' ' GLN . 78.5 m-85 -133.08 -172.51 2.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.36 -0.837 . . . . 0.49 109.176 179.863 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.38 32.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.221 -0.925 . . . . 0.47 108.525 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.5 tp -143.05 134.07 25.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.298 -0.876 . . . . 0.42 109.868 -178.559 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -85.83 126.29 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.824 -0.806 . . . . 1.81 108.824 179.61 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.64 111.52 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.463 -0.773 . . . . 0.42 109.059 -179.694 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.51 151.06 38.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.803 . . . . 2.35 109.865 -179.678 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 133.4 5.11 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.974 -1.251 . . . . 0.41 109.974 179.57 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.548 HH11 ' HG2' ' C' ' 335' ' ' ARG . 2.5 ttt-85 -79.64 -45.35 19.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -1.067 . . . . 2.59 109.059 179.695 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.23 -46.22 86.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.355 -0.841 . . . . 2.54 109.43 179.985 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -63.08 -42.23 99.6 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.417 -0.802 . . . . 3.39 109.43 179.866 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.81 -55.42 26.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.604 -0.685 . . . . 0.47 109.757 -179.743 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.45 -39.21 60.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 1.66 109.744 -179.756 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.36 -52.29 62.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.28 -0.888 . . . . 0.61 110.547 -179.312 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.85 -48.08 83.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.993 -1.067 . . . . 0.33 109.152 -179.577 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.68 -41.08 61.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.29 -0.881 . . . . 3.28 109.752 179.809 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.93 -49.3 78.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.241 -0.912 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.09 79.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.38 108.76 179.771 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.24 -57.76 11.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.529 -0.732 . . . . 1.2 109.737 179.745 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.18 -33.56 75.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.412 -0.805 . . . . 2.12 109.907 -179.633 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -53.67 55.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.26 110.165 -179.513 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -41.68 97.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.4 109.412 -179.791 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.57 -35.62 72.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 2.09 108.915 179.721 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -63.7 -49.89 71.33 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.876 -0.787 . . . . 0.75 108.876 179.674 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.78 -48.57 81.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 2.19 108.913 179.655 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.454 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 17.0 m-20 -57.04 -30.67 64.44 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.64 -0.663 . . . . 1.34 109.233 179.703 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.72 109.503 -179.887 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.447 -0.575 . . . . 1.67 109.447 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -95.54 144.79 25.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.906 . . . . 0.61 109.815 -179.824 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.449 ' N ' ' OE1' ' B' ' 331' ' ' GLN . 78.6 m-85 -133.07 -172.56 2.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.483 -0.761 . . . . 0.56 109.144 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.31 31.95 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.43 108.576 179.97 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -142.99 134.19 25.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 0.35 109.761 -178.514 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -85.95 126.29 34.0 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.857 -0.794 . . . . 1.37 108.857 179.561 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.65 111.44 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.437 -0.79 . . . . 0.48 109.026 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -75.39 150.98 38.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 2.08 109.946 -179.765 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 133.36 5.12 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.024 -1.23 . . . . 0.4 110.024 179.587 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.536 HH11 ' HG2' ' D' ' 335' ' ' ARG . 2.5 ttt-85 -79.61 -45.36 19.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.389 -1.065 . . . . 2.64 109.094 179.616 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.23 -46.2 86.34 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.393 -0.817 . . . . 2.22 109.438 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -63.11 -42.26 99.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.297 -0.877 . . . . 2.74 109.38 179.93 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -53.82 -55.41 26.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.604 -0.685 . . . . 0.43 109.809 -179.7 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.44 -39.13 60.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 1.69 109.784 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.38 -52.31 62.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.372 -0.83 . . . . 0.43 110.568 -179.394 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.87 -48.15 83.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.117 -0.989 . . . . 0.27 109.089 -179.528 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.52 -41.18 60.84 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.284 -0.885 . . . . 2.45 109.775 179.775 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.92 -49.25 78.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -0.959 . . . . 1.75 109.934 -179.566 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.26 -37.2 79.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.071 -1.018 . . . . 0.31 108.68 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.551 -0.718 . . . . 1.22 109.775 179.729 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.04 -33.59 75.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.411 -0.806 . . . . 1.73 109.894 -179.655 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.71 55.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.87 . . . . 0.28 110.076 -179.443 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 0.31 109.515 -179.744 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.51 -35.57 72.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.91 109.025 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -63.78 -49.78 71.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.378 -0.827 . . . . 0.43 108.868 179.671 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.89 -48.61 81.04 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.378 -0.826 . . . . 1.57 109.006 179.498 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 17.1 m-20 -57.09 -30.47 64.37 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.666 -0.646 . . . . 1.44 109.287 179.632 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.68 72.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.64 109.511 -179.938 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.181 -0.95 . . . . 1.21 109.293 179.911 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.299 0.571 . . . . 1.7 109.994 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -96.59 151.85 19.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.243 -0.91 . . . . 0.61 109.378 179.505 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.31 4.12 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.58 109.262 179.898 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.26 146.55 26.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.297 -0.877 . . . . 0.42 108.762 -179.801 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.08 132.18 27.98 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.36 109.735 -178.573 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.72 130.64 34.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.358 -0.979 . . . . 1.37 108.358 179.12 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -123.33 113.29 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.412 -0.805 . . . . 0.47 109.331 -179.49 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -74.49 149.52 40.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.531 -0.73 . . . . 2.1 109.311 179.704 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 135.12 4.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.868 -1.293 . . . . 0.42 109.868 179.836 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.77 -46.18 15.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -1.102 . . . . 2.68 109.555 179.861 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.06 -42.83 86.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 2.22 109.513 -179.936 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.06 -42.87 99.64 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.337 -0.852 . . . . 2.77 109.313 179.96 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -55.54 -56.9 14.95 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.585 -0.697 . . . . 0.43 110.039 -179.694 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.6 -37.82 51.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.66 110.083 -179.505 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.7 -50.78 67.83 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.44 110.502 -179.221 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.86 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.091 -1.006 . . . . 0.29 109.189 -179.515 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.6 -43.67 62.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.293 -0.88 . . . . 2.44 109.511 179.669 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.04 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.107 -0.995 . . . . 1.74 109.76 -179.792 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.56 -44.43 97.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.232 -0.917 . . . . 0.3 109.463 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -58.02 -48.2 80.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 1.22 109.247 179.868 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.99 -38.41 88.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.858 . . . . 1.72 109.466 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.91 -52.31 66.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.332 -0.855 . . . . 0.27 109.846 -179.869 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.64 -43.87 98.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.29 109.314 -179.94 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.44 -36.62 76.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 1.91 109.209 179.689 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.509 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.9 tt -64.22 -51.78 62.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.456 -0.778 . . . . 0.41 109.114 179.849 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.62 -42.05 96.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 1.56 109.033 179.832 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -34.78 67.56 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.627 -0.671 . . . . 1.43 109.331 179.778 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.34 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.351 -0.843 . . . . 0.66 109.658 -179.889 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 1.18 109.637 -179.846 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.236 0.541 . . . . 1.61 110.007 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -96.65 151.9 19.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.19 -0.944 . . . . 0.57 109.357 179.492 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.29 4.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.363 -0.835 . . . . 0.53 109.319 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.244 -0.91 . . . . 0.38 108.725 -179.78 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 51.3 tp -140.22 132.15 27.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.341 -0.849 . . . . 0.36 109.642 -178.541 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.69 130.67 34.67 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 1.36 108.375 179.128 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 113.35 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.419 -0.801 . . . . 0.49 109.309 -179.448 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.7 ttt-85 -74.51 149.62 40.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.736 . . . . 2.1 109.3 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.21 135.12 4.37 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.847 -1.301 . . . . 0.44 109.847 179.818 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.8 -46.1 15.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.304 -1.115 . . . . 2.72 109.573 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -42.9 86.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.21 109.482 -179.977 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.08 -42.8 99.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.251 -0.906 . . . . 2.79 109.359 -179.962 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.6 -56.88 15.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.506 -0.746 . . . . 0.45 109.993 -179.731 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.63 -37.9 52.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 1.68 110.051 -179.482 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.59 -50.87 67.74 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.14 -0.975 . . . . 0.43 110.481 -179.274 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.42 98.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.146 -0.971 . . . . 0.28 109.234 -179.486 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.72 -43.6 62.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.2 -0.937 . . . . 2.52 109.436 179.734 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.09 91.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.189 -0.944 . . . . 1.75 109.737 -179.8 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.5 -44.41 97.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.931 . . . . 0.31 109.509 -179.725 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -58.05 -48.1 81.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.094 -1.004 . . . . 1.21 109.29 179.823 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.98 -38.42 88.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 1.69 109.462 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -52.33 66.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 0.27 109.825 -179.774 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.58 -43.97 97.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.915 . . . . 0.3 109.331 -179.912 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.32 -36.71 76.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.246 -0.908 . . . . 1.93 109.244 179.628 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.511 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.9 tt -64.16 -51.77 62.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.436 -0.79 . . . . 0.4 109.177 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 3.2 ttmp? -60.58 -41.99 95.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.59 109.1 179.797 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -34.75 67.8 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.544 -0.722 . . . . 1.43 109.26 179.795 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.87 . . . . 0.65 109.668 -179.918 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.401 ' CD ' ' N ' ' C' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.218 0.533 . . . . 2.11 109.943 . . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -96.67 151.91 19.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.227 -0.921 . . . . 0.64 109.339 179.494 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.17 -175.25 4.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.839 . . . . 0.49 109.248 179.928 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.32 146.57 26.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.204 -0.935 . . . . 0.47 108.715 -179.757 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.12 132.1 27.78 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.386 -0.821 . . . . 0.42 109.707 -178.576 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.64 130.73 34.68 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.408 -0.96 . . . . 1.81 108.408 179.033 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.39 113.35 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.529 -0.732 . . . . 0.42 109.307 -179.506 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.7 ttt-85 -74.47 149.53 40.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.57 -0.706 . . . . 2.35 109.377 179.675 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.37 134.98 4.41 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.818 -1.313 . . . . 0.41 109.818 179.766 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -80.69 -46.18 15.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -1.052 . . . . 2.59 109.546 179.921 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.96 -42.88 85.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.862 . . . . 2.54 109.512 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -62.13 -42.81 99.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.278 -0.889 . . . . 3.39 109.291 -179.935 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.56 -56.94 14.44 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.538 -0.726 . . . . 0.47 109.985 -179.692 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.61 -37.81 51.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 1.66 110.024 -179.427 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.65 -50.91 67.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.234 -0.916 . . . . 0.61 110.482 -179.265 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.65 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.117 -0.989 . . . . 0.33 109.312 -179.565 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.73 -43.55 62.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.266 -0.896 . . . . 3.28 109.44 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.78 109.744 -179.807 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.242 -0.912 . . . . 0.38 109.549 -179.741 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.98 -48.23 80.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.069 -1.02 . . . . 1.2 109.227 179.799 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.92 -38.43 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.88 . . . . 2.12 109.482 -179.958 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.0 -52.31 66.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.26 109.763 -179.768 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.58 -43.93 97.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.4 109.386 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.4 -36.62 76.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.907 . . . . 2.09 109.189 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.28 -51.7 62.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.75 109.145 179.878 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.2 ttmp? -60.65 -41.94 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 2.19 109.049 179.807 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -34.77 67.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.34 109.285 179.791 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.878 . . . . 0.72 109.612 -179.897 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' D' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.255 0.55 . . . . 1.67 110.051 . . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -96.59 151.79 19.26 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.179 -0.951 . . . . 0.61 109.383 179.499 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.06 -175.25 4.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.287 -0.883 . . . . 0.56 109.325 179.895 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.205 -0.934 . . . . 0.43 108.68 -179.72 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -140.19 132.14 27.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.35 109.652 -178.555 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.68 130.69 34.67 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.349 -0.982 . . . . 1.37 108.349 179.121 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.1 mt -123.37 113.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.493 -0.754 . . . . 0.48 109.372 -179.487 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.45 149.57 40.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.592 -0.692 . . . . 2.08 109.307 179.758 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.27 135.08 4.39 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.833 -1.307 . . . . 0.4 109.833 179.769 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.76 -46.21 15.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.64 109.551 179.912 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.97 -42.9 86.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.843 . . . . 2.22 109.533 179.997 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.11 -42.8 99.59 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.277 -0.889 . . . . 2.74 109.342 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.57 -56.87 15.22 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.605 -0.685 . . . . 0.43 110.016 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.62 -37.83 51.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 1.69 110.062 -179.449 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.3 ttp -63.69 -50.84 67.61 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.17 -0.956 . . . . 0.43 110.47 -179.218 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.36 99.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.007 . . . . 0.27 109.293 -179.596 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.8 -43.63 63.16 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.166 -0.959 . . . . 2.45 109.367 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -46.1 91.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 1.75 109.818 -179.83 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.51 -44.37 97.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.22 -0.925 . . . . 0.31 109.559 -179.745 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -58.08 -48.16 80.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.109 -0.994 . . . . 1.22 109.22 179.838 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.0 -38.42 88.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.73 109.483 -179.959 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.89 -52.42 65.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 0.28 109.727 -179.824 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.54 -43.87 98.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.16 -0.963 . . . . 0.31 109.412 -179.909 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.51 -36.61 76.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 1.91 109.132 179.685 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.29 -51.64 62.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 0.43 109.174 179.891 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.61 -41.99 95.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.57 109.166 179.706 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.68 -34.74 67.69 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.6 -0.688 . . . . 1.44 109.311 179.715 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.36 84.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.369 -0.832 . . . . 0.64 109.666 -179.927 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 1.21 109.665 -179.877 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.511 -0.552 . . . . 1.7 109.511 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.18 156.04 17.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.903 . . . . 0.61 109.582 179.983 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -137.78 -169.65 2.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.58 109.075 179.972 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.3 p -152.58 148.86 27.84 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.99 -1.069 . . . . 0.42 109.026 -179.995 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.36 132.94 27.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.37 -0.831 . . . . 0.36 109.829 -178.697 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.49 127.63 34.47 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.686 -0.857 . . . . 1.37 108.686 179.248 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.4 mt -123.74 117.79 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 121.528 -0.733 . . . . 0.47 109.248 -179.688 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.25 149.9 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.587 -0.696 . . . . 2.1 110.131 -179.727 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 135.67 5.51 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.445 -1.062 . . . . 0.42 110.445 179.274 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -82.05 -53.16 6.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 2.68 109.225 179.575 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.94 -40.23 83.99 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.165 -0.96 . . . . 2.22 108.678 179.355 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' C' ' 352' ' ' ASP . 4.8 ttt180 -63.2 -43.47 98.08 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.776 -0.824 . . . . 2.77 108.776 179.58 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -53.16 60.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.685 -0.634 . . . . 0.43 109.631 179.764 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.06 -36.29 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.366 -0.834 . . . . 1.66 110.031 -179.502 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.97 -50.17 71.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.141 -0.975 . . . . 0.44 110.314 -179.205 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.99 -44.48 97.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.29 109.289 -179.778 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.941 . . . . 2.44 109.477 179.804 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.52 -45.0 95.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 1.74 109.833 -179.7 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.8 -46.16 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.3 109.224 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.58 -48.65 80.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.173 -0.954 . . . . 1.22 109.345 179.754 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.79 -41.86 99.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 1.72 109.746 -179.843 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.24 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.845 . . . . 0.27 109.808 -179.674 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.41 -43.1 99.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.181 -0.95 . . . . 0.29 109.18 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -34.78 73.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 1.91 109.183 179.53 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.71 -49.09 74.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 0.41 109.608 -179.847 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.27 -40.97 97.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 1.56 108.926 179.819 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 352' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' C' ' 337' ' ' ARG . 56.4 m-20 -56.58 -32.19 64.96 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.617 -0.677 . . . . 1.43 109.508 179.761 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.95 60.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.66 109.715 -179.844 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.18 109.569 -179.893 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.433 -0.58 . . . . 1.61 109.433 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.24 156.06 17.05 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.57 109.533 -179.964 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -137.87 -169.8 2.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.408 -0.807 . . . . 0.53 108.974 179.982 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.5 148.9 27.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.098 -1.001 . . . . 0.38 109.041 -179.944 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.44 132.83 26.72 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.359 -0.838 . . . . 0.36 109.789 -178.606 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.45 127.7 34.48 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.723 -0.843 . . . . 1.36 108.723 179.218 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.79 117.84 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.389 -0.819 . . . . 0.49 109.234 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.36 149.88 38.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.647 -0.658 . . . . 2.1 110.12 -179.625 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.04 135.62 5.52 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.43 -1.068 . . . . 0.44 110.43 179.325 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.95 -53.18 6.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.359 -1.083 . . . . 2.72 109.171 179.567 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -59.09 -40.09 84.2 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.076 -1.015 . . . . 2.21 108.704 179.472 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.412 ' NH1' ' OD2' ' D' ' 352' ' ' ASP . 4.9 ttt180 -63.2 -43.48 98.04 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.8 -0.815 . . . . 2.79 108.8 179.491 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.56 -53.25 59.71 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.686 -0.634 . . . . 0.45 109.632 179.725 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.95 -36.29 37.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 1.68 110.142 -179.57 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.01 -50.08 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.187 -0.946 . . . . 0.43 110.364 -179.241 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.01 -44.61 97.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.078 -1.014 . . . . 0.28 109.246 -179.805 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 2.52 109.374 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.35 -45.16 94.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.192 -0.942 . . . . 1.75 109.818 -179.747 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.81 -46.16 90.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.31 109.231 -179.955 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -58.64 -48.48 80.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.21 109.395 179.693 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.88 -41.86 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -0.846 . . . . 1.69 109.718 -179.835 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.25 66.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.27 109.888 -179.74 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.58 -43.07 99.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.3 109.09 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.88 -34.77 73.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.932 . . . . 1.93 109.176 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.74 -49.0 74.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.4 109.574 -179.838 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.38 -40.94 98.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.33 -0.856 . . . . 1.59 108.878 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH1' ' D' ' 337' ' ' ARG . 56.4 m-20 -56.65 -32.08 65.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.711 -0.618 . . . . 1.43 109.526 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.268 -0.895 . . . . 0.65 109.682 -179.826 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.423 -0.584 . . . . 2.11 109.423 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.23 156.21 16.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.88 . . . . 0.64 109.532 -179.992 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.95 -169.8 2.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.343 -0.848 . . . . 0.49 108.982 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.53 148.84 27.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.47 109.026 -179.997 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.37 132.87 26.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.276 -0.89 . . . . 0.42 109.857 -178.713 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.42 127.61 34.44 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.7 -0.852 . . . . 1.81 108.7 179.268 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.72 117.82 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.491 -0.755 . . . . 0.42 109.215 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.26 149.89 38.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.625 -0.672 . . . . 2.35 110.07 -179.695 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 135.51 5.48 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.436 -1.066 . . . . 0.41 110.436 179.209 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.8 -53.23 6.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.372 -1.075 . . . . 2.59 109.221 179.529 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -59.03 -40.06 83.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.068 -1.02 . . . . 2.54 108.633 179.501 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 352' ' ' ASP . 4.8 ttt180 -63.36 -43.39 97.81 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.73 -0.841 . . . . 3.39 108.73 179.621 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -56.65 -53.17 60.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.747 -0.596 . . . . 0.47 109.631 179.691 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -51.0 -36.28 38.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.889 . . . . 1.66 110.107 -179.56 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.0 -50.18 71.74 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.092 -1.005 . . . . 0.61 110.354 -179.24 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.94 -44.56 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.039 -1.038 . . . . 0.33 109.292 -179.852 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.43 -41.54 60.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.214 -0.929 . . . . 3.28 109.413 179.844 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.41 -45.18 94.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.895 . . . . 1.78 109.802 -179.782 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.69 -46.14 90.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.38 109.299 -179.993 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -58.64 -48.5 80.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.331 -0.855 . . . . 1.2 109.334 179.746 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.96 -41.78 99.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.424 -0.798 . . . . 2.12 109.737 -179.822 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.33 66.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.26 109.845 -179.728 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -43.26 99.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.4 109.127 179.99 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.414 ' HG3' HH22 ' A' ' 337' ' ' ARG . 42.9 mt-10 -59.75 -34.84 73.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 2.09 109.144 179.511 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.71 -49.1 74.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.356 -0.84 . . . . 0.75 109.546 -179.832 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 2.19 108.938 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 352' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 337' ' ' ARG . 56.5 m-20 -56.64 -32.02 64.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.57 -0.706 . . . . 1.34 109.547 179.786 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.837 . . . . 0.72 109.712 -179.838 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.455 -0.572 . . . . 1.67 109.455 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.26 156.14 17.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 0.61 109.583 179.991 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -137.84 -169.61 2.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.56 109.053 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.67 148.66 27.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.034 -1.041 . . . . 0.43 109.026 -179.907 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -141.3 132.87 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.434 -0.791 . . . . 0.35 109.895 -178.738 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.34 127.64 34.42 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.739 -0.838 . . . . 1.37 108.739 179.251 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.69 117.84 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.508 -0.745 . . . . 0.48 109.198 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.32 149.97 38.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 2.08 110.104 -179.753 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 135.69 5.5 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.4 -1.08 . . . . 0.4 110.4 179.204 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.93 -53.23 6.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.418 -1.048 . . . . 2.64 109.235 179.55 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.96 -40.15 83.85 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.157 -0.964 . . . . 2.22 108.657 179.476 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH1' ' OD2' ' B' ' 352' ' ' ASP . 4.8 ttt180 -63.28 -43.43 97.95 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.759 -0.83 . . . . 2.74 108.759 179.604 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -56.65 -53.19 60.57 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.698 -0.626 . . . . 0.43 109.547 179.823 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.03 -36.23 38.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 1.69 110.126 -179.528 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.06 -50.16 71.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.096 -1.002 . . . . 0.43 110.285 -179.223 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.92 -44.56 97.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.27 109.27 -179.801 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -51.4 -41.58 60.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 2.45 109.438 179.826 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.38 -45.18 94.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.909 . . . . 1.75 109.829 -179.77 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.7 -46.13 91.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 0.31 109.309 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.64 -48.57 80.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.22 109.333 179.736 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.85 -41.79 99.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.73 109.726 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.2 66.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.842 . . . . 0.28 109.888 -179.724 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.44 -43.25 99.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.146 -0.971 . . . . 0.31 109.116 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.84 -34.8 73.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 1.91 109.135 179.538 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.67 -49.08 74.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.328 -0.858 . . . . 0.43 109.614 -179.895 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.34 -40.97 98.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 1.57 108.868 179.818 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD2' ' NH1' ' B' ' 337' ' ' ARG . 56.1 m-20 -56.71 -32.04 65.09 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.684 -0.635 . . . . 1.44 109.495 179.874 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.9 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.64 109.729 -179.876 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 1.21 109.522 -179.85 . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.28 0.562 . . . . 1.7 109.632 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -94.83 155.42 16.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.212 -0.93 . . . . 0.61 109.894 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -138.57 -174.91 3.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.58 108.985 179.639 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.43 118.25 5.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.42 109.061 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -109.38 136.54 48.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.679 -0.638 . . . . 0.36 109.913 -178.731 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.78 128.78 35.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.384 -0.822 . . . . 1.37 108.906 179.147 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.93 117.13 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.399 -0.813 . . . . 0.47 109.432 -179.671 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.01 155.78 34.63 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.612 -0.68 . . . . 2.1 109.931 179.973 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 144.64 7.08 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.175 -1.17 . . . . 0.42 110.175 179.167 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.6 OUTLIER -81.71 -50.32 9.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.984 . . . . 2.68 109.218 179.662 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.16 -40.56 81.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 2.22 109.229 179.766 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.635 HH11 ' CB ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.24 73.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.462 -0.774 . . . . 2.77 109.588 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -54.46 -58.28 8.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.517 -0.74 . . . . 0.43 109.596 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.49 -41.05 60.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.302 -0.874 . . . . 1.66 109.677 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.22 -51.75 62.17 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.251 -0.906 . . . . 0.44 110.216 -179.295 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.59 -46.59 89.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 0.29 108.954 -179.697 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -49.99 -42.31 48.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.377 -0.827 . . . . 2.44 109.324 179.611 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.09 -44.66 91.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.267 -0.896 . . . . 1.74 109.737 -179.833 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.65 -46.47 89.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.955 . . . . 0.3 109.161 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.43 -50.43 73.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.483 -0.761 . . . . 1.22 109.547 179.914 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.39 -35.8 80.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 1.72 109.621 -179.934 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.41 -55.97 27.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.414 -0.804 . . . . 0.27 110.021 -179.696 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.432 HD13 ' HE ' ' C' ' 337' ' ' ARG . 33.1 mt -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.29 109.307 -179.766 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.89 -38.42 78.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.91 109.111 179.85 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.58 -45.77 91.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.357 -0.839 . . . . 0.41 108.853 179.715 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.91 -52.3 60.48 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.806 0.812 . . . . 1.56 108.861 179.207 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -55.18 -34.78 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.27 -0.641 . . . . 1.43 109.27 179.864 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.47 69.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.66 109.301 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 1.18 109.407 179.946 . . . . . . . . 0 0 . 1 . 072 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.283 0.563 . . . . 1.61 109.647 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.82 155.44 16.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.228 -0.92 . . . . 0.57 109.835 -179.966 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.64 -175.0 3.98 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.83 . . . . 0.53 108.989 179.71 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 36.0 p -152.46 118.24 5.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.162 -0.961 . . . . 0.38 109.073 -179.986 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -109.38 136.5 48.71 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.44 0.638 . . . . 0.36 109.896 -178.707 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.74 128.77 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 1.36 108.896 179.154 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.96 117.2 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 121.47 -0.769 . . . . 0.49 109.414 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -76.04 155.8 34.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.597 -0.689 . . . . 2.1 109.929 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.66 7.07 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.187 -1.165 . . . . 0.44 110.187 179.163 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.6 OUTLIER -81.72 -50.31 9.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -1.019 . . . . 2.72 109.269 179.644 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.15 -40.56 81.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -0.809 . . . . 2.21 109.216 179.763 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.63 ' CB ' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.3 73.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.432 -0.793 . . . . 2.79 109.512 -179.994 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.39 -58.26 8.1 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.428 -0.795 . . . . 0.45 109.577 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.58 -40.94 60.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.254 -0.904 . . . . 1.68 109.749 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.3 -51.62 62.58 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.279 -0.888 . . . . 0.43 110.275 -179.369 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.62 -46.57 89.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.091 -1.006 . . . . 0.28 109.005 -179.731 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -50.01 -42.22 48.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.346 179.606 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.19 -44.52 92.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.75 109.762 -179.849 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.63 -46.49 89.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.31 109.223 179.764 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.51 -50.37 74.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 1.21 109.625 179.859 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.38 -35.87 80.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.69 109.543 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.41 -55.98 27.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.27 109.985 -179.669 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -60.64 -40.0 90.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.3 109.328 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.94 -38.23 78.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.892 . . . . 1.93 109.212 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.83 -45.65 91.63 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.804 -0.813 . . . . 0.4 108.804 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.99 -52.32 60.14 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.853 -0.795 . . . . 1.59 108.853 179.21 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.1 -34.82 64.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.323 -0.621 . . . . 1.43 109.323 179.779 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 0.65 109.293 179.903 . . . . . . . . 0 0 . 1 . 072 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.228 0.537 . . . . 2.11 109.598 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.8 155.6 16.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.303 -0.873 . . . . 0.64 109.753 -179.936 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.72 -175.02 3.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.365 -0.834 . . . . 0.49 108.935 179.694 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 36.1 p -152.43 118.28 5.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.47 109.1 179.984 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.41 136.47 48.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.663 -0.648 . . . . 0.42 109.876 -178.648 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.65 128.75 35.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.81 108.902 179.09 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.98 117.1 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.487 -0.758 . . . . 0.42 109.456 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.02 155.81 34.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.579 -0.701 . . . . 2.35 109.945 -179.993 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.72 7.11 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.252 -1.139 . . . . 0.41 110.252 179.214 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.6 OUTLIER -81.8 -50.35 9.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.59 109.168 179.708 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -58.12 -40.52 81.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 2.54 109.227 179.789 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.633 ' CB ' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -50.25 73.41 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.42 -0.8 . . . . 3.39 109.489 -179.964 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -54.43 -58.3 7.99 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.578 -0.701 . . . . 0.47 109.581 -179.962 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.48 -41.04 60.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.313 -0.867 . . . . 1.66 109.753 -179.929 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.221 -0.924 . . . . 0.61 110.236 -179.345 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.48 -46.63 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.11 -0.994 . . . . 0.33 109.021 -179.768 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -50.04 -42.23 49.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.28 109.312 179.654 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.15 -44.62 92.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.78 109.763 -179.861 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.58 -46.61 89.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.149 -0.969 . . . . 0.38 109.138 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.323 -0.861 . . . . 1.2 109.598 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 2.12 109.558 -179.893 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.33 -56.05 27.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 0.26 109.952 -179.661 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.431 HD13 ' HE ' ' A' ' 337' ' ' ARG . 33.1 mt -60.67 -40.0 90.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.938 . . . . 0.4 109.268 -179.667 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.97 -38.29 78.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.925 . . . . 2.09 109.163 179.782 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.85 -45.52 92.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.824 . . . . 0.75 108.783 179.785 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -64.04 -52.34 59.89 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.764 0.793 . . . . 2.19 108.895 179.114 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.13 -34.73 64.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.35 -0.611 . . . . 1.34 109.35 179.758 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 0.72 109.372 179.83 . . . . . . . . 0 0 . 1 . 072 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.241 0.543 . . . . 1.67 109.595 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.91 155.52 16.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.61 109.776 -179.919 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.67 -175.0 3.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.409 -0.807 . . . . 0.56 108.98 179.656 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.42 118.49 5.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.23 -0.919 . . . . 0.43 109.011 179.972 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.58 136.53 48.81 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.41 0.624 . . . . 0.35 109.85 -178.722 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.71 128.68 35.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.375 -0.828 . . . . 1.37 108.874 179.15 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.93 117.11 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.396 -0.815 . . . . 0.48 109.472 -179.749 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -75.99 155.66 34.79 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.618 -0.676 . . . . 2.08 109.961 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.2 144.63 7.18 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.26 -1.136 . . . . 0.4 110.26 179.196 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.559 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.6 OUTLIER -81.66 -50.42 9.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -1.058 . . . . 2.64 109.227 179.663 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.03 -40.61 81.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 2.22 109.279 179.752 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.628 HH11 ' CB ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -50.16 73.7 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.352 -0.843 . . . . 2.74 109.529 -179.98 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.54 -58.19 8.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.48 -0.762 . . . . 0.43 109.586 -179.97 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.48 -41.06 60.66 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.272 -0.893 . . . . 1.69 109.718 -179.95 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -64.2 -51.75 62.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.173 -0.954 . . . . 0.43 110.315 -179.343 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.61 -46.44 89.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.191 -0.943 . . . . 0.27 109.072 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.11 -42.2 49.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.245 -0.91 . . . . 2.45 109.268 179.555 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.16 -44.57 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 1.75 109.734 -179.824 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.69 -46.47 89.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -0.921 . . . . 0.31 109.148 179.856 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.48 -50.37 73.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.327 -0.858 . . . . 1.22 109.598 179.9 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.47 -35.74 80.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 1.73 109.586 -179.927 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.46 -55.85 29.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.28 110.051 -179.737 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.427 HD13 ' HE ' ' B' ' 337' ' ' ARG . 33.8 mt -60.82 -39.91 90.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 0.31 109.268 -179.705 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.95 -38.38 78.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.178 -0.951 . . . . 1.91 109.165 179.75 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.76 -45.55 92.15 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.788 -0.819 . . . . 0.43 108.788 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -64.08 -52.21 60.35 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.751 0.786 . . . . 1.57 108.898 179.151 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.16 -34.83 64.15 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 109.329 -0.619 . . . . 1.44 109.329 179.742 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.55 69.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 0.64 109.336 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.345 -0.847 . . . . 1.21 109.436 179.976 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.211 0.529 . . . . 1.7 109.685 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 38.3 m-85 -95.68 158.18 15.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.289 -0.882 . . . . 0.61 109.455 179.674 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -139.62 140.05 36.87 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.425 -0.797 . . . . 0.58 108.961 179.428 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.75 161.33 13.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.42 109.562 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.7 tp -148.55 134.02 18.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 0.36 109.998 -179.411 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.08 131.63 34.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.483 -0.76 . . . . 1.37 109.531 179.588 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.9 mt -124.12 117.02 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 N-CA-C 108.921 -0.77 . . . . 0.47 108.921 179.725 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.45 148.79 38.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -0.845 . . . . 2.1 109.895 -179.841 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.99 139.85 5.41 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.131 -1.188 . . . . 0.42 110.131 179.261 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -84.05 -46.27 12.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -1.051 . . . . 2.68 109.283 179.743 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.01 -38.39 76.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 2.22 109.07 179.813 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.3 tpp180 -61.8 -37.14 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.422 -0.799 . . . . 2.77 109.426 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -56.16 -52.08 65.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.451 -0.781 . . . . 0.43 109.792 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -52.52 -38.3 59.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.241 -0.912 . . . . 1.66 109.794 -179.69 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.66 14.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.186 -0.946 . . . . 0.44 110.238 -179.407 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.04 -44.07 97.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.29 108.574 179.924 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.425 HH11 ' HB3' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -51.49 -42.53 61.74 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.453 -0.78 . . . . 2.44 109.454 179.541 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -60.03 -52.87 63.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.74 109.606 -179.796 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.12 -37.3 79.62 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.256 -0.902 . . . . 0.3 108.579 179.638 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.36 -55.79 30.48 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.461 -0.774 . . . . 1.22 109.42 179.536 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.98 -32.88 74.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 1.72 109.519 179.911 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -51.35 69.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.27 109.605 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.453 HD22 ' NH1' ' C' ' 337' ' ' ARG . 62.7 mt -61.38 -47.68 84.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.29 109.356 179.81 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.7 -35.98 73.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 1.91 109.234 179.823 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.11 -49.02 73.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.387 -0.821 . . . . 0.41 109.333 179.84 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 3.5 ttmp? -62.6 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 1.56 108.984 179.92 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.76 -34.11 67.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.577 -0.702 . . . . 1.43 109.482 179.742 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.6 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.339 -0.85 . . . . 0.66 109.716 -179.827 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.18 109.536 -179.857 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.279 0.561 . . . . 1.61 109.638 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.9 m-85 -95.69 158.13 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.218 -0.926 . . . . 0.57 109.481 179.64 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.0 36.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.33 -0.856 . . . . 0.53 109.032 179.406 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -97.74 161.43 13.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.269 -0.895 . . . . 0.38 109.523 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.64 134.01 18.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.862 . . . . 0.36 109.893 -179.353 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.49 34.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 1.36 109.493 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 61.5 mt -123.91 116.99 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.942 -0.762 . . . . 0.49 108.942 179.692 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 2.1 109.995 -179.937 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.86 5.47 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.119 -1.192 . . . . 0.44 110.119 179.266 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -84.14 -46.19 12.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -1.046 . . . . 2.72 109.327 179.719 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -58.1 -38.25 76.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 2.21 109.155 179.768 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.467 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.3 tpp180 -61.78 -37.14 83.23 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.379 -0.826 . . . . 2.79 109.526 179.735 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.19 -52.09 65.66 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.778 . . . . 0.45 109.754 -179.957 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.47 -38.38 59.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.285 -0.884 . . . . 1.68 109.76 -179.631 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.53 15.69 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.219 -0.926 . . . . 0.43 110.242 -179.326 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.14 -44.05 97.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 0.28 108.493 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.428 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.8 OUTLIER -51.52 -42.62 61.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.434 -0.791 . . . . 2.52 109.345 179.59 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -60.06 -52.82 63.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -0.917 . . . . 1.75 109.58 -179.717 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.508 -0.923 . . . . 0.31 108.508 179.618 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.26 -55.84 29.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.459 -0.776 . . . . 1.21 109.378 179.573 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.95 -32.89 74.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.381 -0.824 . . . . 1.69 109.524 179.967 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.55 -51.4 69.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.362 -0.836 . . . . 0.27 109.641 -179.901 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.452 HD22 ' NH1' ' D' ' 337' ' ' ARG . 62.6 mt -61.35 -47.76 84.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -0.873 . . . . 0.3 109.331 179.832 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.178 -0.951 . . . . 1.93 109.233 179.835 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.13 -49.12 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.399 -0.813 . . . . 0.4 109.247 179.961 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' A' ' 347' ' ' ALA . 3.5 ttmp? -62.49 -43.41 98.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.411 -0.805 . . . . 1.59 108.964 179.968 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.77 -34.21 67.38 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.597 -0.689 . . . . 1.43 109.346 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.65 109.712 -179.802 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.238 0.542 . . . . 2.11 109.678 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.5 m-85 -95.71 158.21 15.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.64 109.46 179.666 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.63 140.03 36.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.25 -0.906 . . . . 0.49 109.02 179.402 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 60.9 p -97.68 161.44 13.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.47 109.552 -179.757 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.66 134.05 18.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.42 109.959 -179.43 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.12 131.59 34.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.584 -0.698 . . . . 1.81 109.506 179.584 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.02 117.03 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.957 -0.757 . . . . 0.42 108.957 179.661 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.38 148.83 38.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.506 -0.746 . . . . 2.35 109.971 -179.928 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.97 139.89 5.41 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.147 -1.181 . . . . 0.41 110.147 179.276 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -84.1 -46.17 12.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -1.078 . . . . 2.59 109.343 179.702 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -58.09 -38.27 76.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 2.54 109.083 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.453 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -61.78 -37.18 83.39 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.404 -0.81 . . . . 3.39 109.451 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.08 -52.2 65.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.469 -0.77 . . . . 0.47 109.738 -179.904 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.46 -38.38 59.16 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.335 -0.853 . . . . 1.66 109.745 -179.609 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.28 -56.66 14.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.199 -0.938 . . . . 0.61 110.218 -179.349 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.05 -44.17 97.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.981 -1.074 . . . . 0.33 108.554 179.939 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -51.33 -42.62 61.36 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.548 -0.72 . . . . 3.28 109.514 179.46 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.02 -52.83 63.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 1.78 109.612 -179.776 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.13 -37.35 79.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.38 108.536 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.3 -55.8 30.31 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.459 -0.776 . . . . 1.2 109.383 179.571 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.06 -32.89 74.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 2.12 109.448 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -51.27 70.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.838 . . . . 0.26 109.57 -179.836 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.471 HD22 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.4 -47.67 84.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.4 109.347 179.825 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.7 -35.99 73.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.231 -0.918 . . . . 2.09 109.196 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.09 -49.11 73.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.75 109.283 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.5 ttmp? -62.52 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.433 -0.792 . . . . 2.19 108.963 -179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.78 -34.18 67.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.582 -0.699 . . . . 1.34 109.444 179.794 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.309 -0.869 . . . . 0.72 109.705 -179.869 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.262 0.554 . . . . 1.67 109.696 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 38.3 m-85 -95.73 158.16 15.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.182 -0.949 . . . . 0.61 109.433 179.65 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.6 140.1 36.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.56 108.964 179.405 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.1 p -97.76 161.31 13.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.273 -0.892 . . . . 0.43 109.525 -179.771 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.56 134.06 18.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.176 -0.953 . . . . 0.35 109.884 -179.405 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.58 34.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.498 -0.751 . . . . 1.37 109.481 179.555 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.7 mt -123.99 116.99 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.948 -0.76 . . . . 0.48 108.948 179.665 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.456 -0.778 . . . . 2.08 110.002 -179.912 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.05 139.83 5.44 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.105 -1.198 . . . . 0.4 110.105 179.285 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -84.08 -46.21 12.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -1.143 . . . . 2.64 109.303 179.727 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.08 -38.27 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 2.22 109.108 179.797 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.452 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.3 tpp180 -61.86 -37.15 83.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.375 -0.828 . . . . 2.74 109.413 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.09 -52.17 65.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.504 -0.748 . . . . 0.43 109.767 -179.961 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.44 -38.39 59.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.69 109.78 -179.664 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttp -63.24 -56.58 15.42 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.251 -0.906 . . . . 0.43 110.3 -179.376 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -44.03 97.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.007 -1.058 . . . . 0.27 108.534 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -51.42 -42.56 61.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.498 -0.751 . . . . 2.45 109.433 179.491 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.96 -52.96 63.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 1.75 109.59 -179.797 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.08 -37.31 79.53 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.927 . . . . 0.31 108.57 179.647 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.38 -55.78 30.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.495 -0.753 . . . . 1.22 109.391 179.556 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.99 -32.98 74.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.345 -0.847 . . . . 1.73 109.442 179.941 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.5 -51.36 69.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 0.28 109.634 -179.823 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.467 HD22 ' NH1' ' B' ' 337' ' ' ARG . 62.5 mt -61.35 -47.62 85.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.31 109.394 179.778 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -58.76 -36.03 73.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 1.91 109.155 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.03 -49.15 73.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.368 -0.832 . . . . 0.43 109.26 179.893 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.5 ttmp? -62.56 -43.39 98.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.292 -0.88 . . . . 1.57 108.977 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.73 -34.18 67.26 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.63 -0.669 . . . . 1.44 109.458 179.76 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.68 82.83 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.64 109.75 -179.834 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.85 . . . . 1.21 109.574 -179.896 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 1.7 109.493 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -97.65 149.4 22.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.203 -0.936 . . . . 0.61 110.05 -179.812 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -138.98 138.6 37.43 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.545 -0.909 . . . . 0.58 108.545 179.059 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.9 p -98.03 163.96 12.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.396 -0.815 . . . . 0.42 109.249 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.84 131.36 15.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 0.36 109.859 -179.184 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.18 127.23 34.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 1.37 108.838 179.52 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.33 113.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.458 -0.777 . . . . 0.47 109.659 -179.512 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.423 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.44 32.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 2.1 109.808 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 134.57 3.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.016 -1.234 . . . . 0.42 110.016 179.442 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.94 -48.81 11.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -1.133 . . . . 2.68 109.211 179.66 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.62 -42.43 88.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.357 -0.839 . . . . 2.22 109.154 179.77 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.81 . . . . 2.77 109.257 179.865 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -55.38 -56.48 19.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.559 -0.713 . . . . 0.43 109.541 179.897 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.24 -38.94 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.328 -0.858 . . . . 1.66 109.781 -179.625 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.12 -54.22 41.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 0.44 110.079 -179.454 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.83 -45.76 93.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.29 108.972 -179.986 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.354 -0.841 . . . . 2.44 109.284 179.869 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.21 -51.88 64.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 1.74 109.498 179.754 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.15 -35.93 74.38 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.695 -0.854 . . . . 0.3 108.695 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.47 -56.97 15.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.475 -0.766 . . . . 1.22 109.225 179.453 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.01 -29.48 70.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 1.72 109.716 -179.968 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.5 -55.23 37.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.241 -0.912 . . . . 0.27 109.944 -179.581 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.66 -40.72 93.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.29 109.405 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.72 -36.19 78.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 1.91 109.473 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.24 -52.85 56.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.265 -0.897 . . . . 0.41 109.124 179.994 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.93 -47.32 85.42 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 1.56 109.052 179.689 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -35.66 71.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.484 -0.76 . . . . 1.43 109.054 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.42 72.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.339 -0.851 . . . . 0.66 109.513 -179.989 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.296 -0.877 . . . . 1.18 109.725 -179.825 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.473 -0.565 . . . . 1.61 109.473 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -97.72 149.38 22.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.29 -0.881 . . . . 0.57 110.059 -179.791 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.47 37.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.552 -0.907 . . . . 0.53 108.552 179.156 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -97.98 163.82 12.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.316 -0.865 . . . . 0.38 109.295 -179.873 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -148.64 131.47 16.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.36 109.907 -179.249 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.14 127.19 34.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 1.36 108.878 179.471 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.79 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.518 -0.739 . . . . 0.49 109.634 -179.509 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.412 HH11 ' CG ' ' B' ' 333' ' ' ARG . 1.1 ttt-85 -76.82 155.43 33.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 2.1 109.752 179.717 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.06 134.51 3.11 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.036 -1.225 . . . . 0.44 110.036 179.391 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.63 12.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -1.122 . . . . 2.72 109.247 179.689 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.83 -42.38 89.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 2.21 109.083 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.77 -43.63 97.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.278 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.39 -56.47 19.71 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.527 -0.733 . . . . 0.45 109.522 179.854 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.27 -38.88 28.64 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.323 -0.86 . . . . 1.68 109.834 -179.635 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.1 -54.21 41.45 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.218 -0.926 . . . . 0.43 110.078 -179.455 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.87 -45.82 93.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.119 -0.988 . . . . 0.28 108.903 -179.927 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.53 -40.24 59.27 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.428 -0.795 . . . . 2.52 109.281 179.906 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -63.17 -51.88 64.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.091 -1.006 . . . . 1.75 109.526 179.782 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.05 -35.94 74.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.31 108.674 179.871 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.63 -56.86 16.72 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.52 -0.737 . . . . 1.21 109.2 179.601 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.01 -29.57 70.71 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.333 -0.854 . . . . 1.69 109.633 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.46 -55.28 37.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.907 . . . . 0.27 109.958 -179.524 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.66 -40.61 92.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.242 -0.911 . . . . 0.3 109.457 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.8 -36.25 78.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.226 -0.921 . . . . 1.93 109.418 179.873 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.18 -52.8 57.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.4 109.044 -179.963 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -62.01 -47.39 84.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.389 -0.82 . . . . 1.59 109.025 179.745 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -35.71 71.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.43 109.093 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.424 0 O-C-N 121.307 -0.871 . . . . 0.65 109.539 -179.983 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.475 -0.565 . . . . 2.11 109.475 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.63 149.45 22.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.214 -0.929 . . . . 0.64 110.065 -179.862 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.65 37.32 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.485 -0.931 . . . . 0.49 108.485 179.069 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -98.11 163.83 12.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.285 -0.885 . . . . 0.47 109.28 -179.915 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.72 131.51 16.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.174 -0.954 . . . . 0.42 109.91 -179.292 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.16 127.28 34.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 1.81 108.828 179.525 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.47 113.79 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.55 -0.719 . . . . 0.42 109.584 -179.508 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.1 ttt-85 -76.86 155.5 32.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 2.35 109.735 179.735 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.04 134.49 3.09 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.053 -1.219 . . . . 0.41 110.053 179.441 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.86 -48.81 11.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -1.081 . . . . 2.59 109.201 179.674 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.71 -42.35 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.336 -0.852 . . . . 2.54 109.113 179.806 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.377 -0.827 . . . . 3.39 109.199 179.84 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -55.4 -56.44 20.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.538 -0.726 . . . . 0.47 109.505 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.2 -39.0 28.0 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.229 -0.919 . . . . 1.66 109.804 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.11 -54.24 40.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.245 -0.91 . . . . 0.61 110.079 -179.439 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.66 -45.92 92.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.33 108.923 -179.969 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.5 -40.26 59.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.4 -0.813 . . . . 3.28 109.335 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.13 -51.88 64.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.0 -1.063 . . . . 1.78 109.545 179.694 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.16 -35.91 74.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.38 108.673 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -58.6 -56.87 16.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.458 -0.776 . . . . 1.2 109.214 179.545 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.08 -29.52 70.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -0.784 . . . . 2.12 109.684 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.51 -55.12 39.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.303 -0.873 . . . . 0.26 110.069 -179.618 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.74 -40.56 92.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -0.993 . . . . 0.4 109.446 -179.852 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -60.8 -36.24 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 2.09 109.51 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -64.21 -52.82 56.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.75 109.044 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.98 -47.32 85.36 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.452 -0.78 . . . . 2.19 109.079 179.73 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -35.73 71.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.498 -0.751 . . . . 1.34 109.074 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.389 -0.819 . . . . 0.72 109.527 -179.974 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.481 -0.563 . . . . 1.67 109.481 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.69 149.39 22.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.61 110.058 -179.832 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.01 138.53 37.3 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.56 -0.904 . . . . 0.56 108.56 179.11 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -97.92 163.87 12.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.313 -0.867 . . . . 0.43 109.303 -179.909 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -148.74 131.46 15.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.175 -0.953 . . . . 0.35 109.872 -179.315 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.05 127.21 34.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.37 108.902 179.433 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.77 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.519 -0.738 . . . . 0.48 109.593 -179.526 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.406 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.45 32.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 2.08 109.788 179.62 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 134.61 3.14 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.996 -1.242 . . . . 0.4 109.996 179.378 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.71 11.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -1.107 . . . . 2.64 109.242 179.686 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.81 -42.28 88.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.319 -0.863 . . . . 2.22 109.14 179.818 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.358 -0.838 . . . . 2.74 109.253 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.42 -56.45 20.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.49 -0.756 . . . . 0.43 109.507 179.983 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.21 -38.87 27.7 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.34 -0.85 . . . . 1.69 109.867 -179.659 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.24 -54.1 42.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 0.43 110.085 -179.487 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.83 -45.79 93.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.27 108.985 -179.976 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.23 59.32 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.371 -0.83 . . . . 2.45 109.31 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.052 -1.03 . . . . 1.75 109.545 179.728 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.1 -36.0 74.39 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.268 -0.895 . . . . 0.31 108.693 179.831 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -58.47 -56.96 15.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.47 -0.769 . . . . 1.22 109.301 179.449 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.05 -29.48 70.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 1.73 109.765 179.97 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.45 -55.32 36.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.232 -0.917 . . . . 0.28 109.942 -179.629 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.55 -40.77 92.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 0.31 109.395 -179.776 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -60.73 -36.28 78.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.209 -0.932 . . . . 1.91 109.464 179.918 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.09 -52.93 56.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -0.82 . . . . 0.43 109.063 -179.995 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.94 -47.36 85.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.417 -0.802 . . . . 1.57 109.05 179.762 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.96 -35.75 71.59 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.028 -0.73 . . . . 1.44 109.028 179.673 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.43 72.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.318 -0.864 . . . . 0.64 109.512 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.3 -0.875 . . . . 1.21 109.7 -179.773 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.246 0.546 . . . . 1.7 109.584 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -93.95 154.37 17.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.25 -0.906 . . . . 0.61 109.464 179.849 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -141.22 137.12 32.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.357 -0.839 . . . . 0.58 108.978 179.426 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.86 164.76 12.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.436 -0.79 . . . . 0.42 109.313 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.09 131.84 15.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.36 109.602 -179.706 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.43 127.35 33.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.407 -0.808 . . . . 1.37 109.105 179.621 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.95 115.46 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.592 -0.692 . . . . 0.47 109.563 -179.607 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.35 151.05 38.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 2.1 109.977 179.716 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.62 4.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.351 -1.1 . . . . 0.42 110.351 179.172 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.03 -44.76 12.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.416 -1.05 . . . . 2.68 109.22 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.22 -46.11 86.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.153 -0.967 . . . . 2.22 109.083 179.782 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.34 -0.85 . . . . 2.77 109.429 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -54.08 -55.75 24.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.387 -0.821 . . . . 0.43 109.321 179.919 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.52 -36.05 54.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 1.66 109.499 -179.828 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -51.95 63.73 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.338 -0.851 . . . . 0.44 110.056 -179.48 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -41.57 95.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.29 108.978 -179.85 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.7 -43.22 62.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 2.44 109.207 179.603 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' B' ' 351' ' ' LYS . 9.9 tp10 -60.08 -52.05 66.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.351 -0.843 . . . . 1.74 109.614 179.92 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.946 . . . . 0.3 108.855 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.07 -55.92 28.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.392 -0.817 . . . . 1.22 109.433 179.452 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 97.7 mt-10 -63.67 -32.71 74.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.837 . . . . 1.72 110.026 -179.828 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.59 -52.75 64.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.27 109.987 -179.481 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.66 -43.75 98.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.184 -0.947 . . . . 0.29 109.464 -179.878 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.72 -33.56 70.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.91 109.56 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.34 -54.33 30.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.41 109.407 -179.78 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.69 86.82 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.326 -0.859 . . . . 1.56 108.987 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -56.99 -42.14 79.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.694 . . . . 1.43 109.583 179.584 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -22.37 65.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.66 109.758 -179.687 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 1.18 109.474 179.882 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.307 0.575 . . . . 1.61 109.518 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -93.81 154.28 17.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.57 109.592 179.768 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.12 137.11 32.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.348 -0.845 . . . . 0.53 109.002 179.391 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -94.77 164.66 12.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -0.83 . . . . 0.38 109.3 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -150.12 131.91 15.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.217 -0.927 . . . . 0.36 109.589 -179.715 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.45 127.14 33.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 1.36 109.082 179.721 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.82 115.49 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.642 -0.661 . . . . 0.49 109.564 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -75.56 150.92 37.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.43 -0.794 . . . . 2.1 109.893 179.819 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.21 137.73 4.16 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.364 -1.094 . . . . 0.44 110.364 179.261 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.13 -44.67 12.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.527 -0.984 . . . . 2.72 109.258 179.561 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.24 -45.99 86.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 2.21 109.101 179.741 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.53 -41.6 98.98 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.359 -0.838 . . . . 2.79 109.4 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.08 -55.85 23.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 0.45 109.289 179.929 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.41 -36.01 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 1.68 109.613 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.51 -51.93 63.41 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.322 -0.861 . . . . 0.43 110.001 -179.429 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.65 -41.61 95.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.006 . . . . 0.28 108.977 -179.904 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.84 -43.05 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 2.52 109.24 179.681 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 9.9 tp10 -60.0 -52.18 66.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 1.75 109.576 179.887 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.17 -39.54 86.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.31 108.887 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.08 -55.88 29.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.404 -0.81 . . . . 1.21 109.43 179.455 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.68 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 1.69 109.991 -179.809 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.53 -52.79 63.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 0.27 110.037 -179.539 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.59 -43.8 98.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.3 109.498 -179.92 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -33.54 70.35 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.292 -0.88 . . . . 1.93 109.595 -179.997 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' A' ' 350' ' ' LEU . 2.6 tt -65.33 -54.28 31.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.27 -0.893 . . . . 0.4 109.431 -179.857 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.47 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 31.5 ttmt -60.97 -38.78 87.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.329 -0.857 . . . . 1.59 108.994 179.812 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.99 -41.96 79.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.461 -0.775 . . . . 1.43 109.568 179.655 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.845 . . . . 0.65 109.744 -179.712 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.264 0.554 . . . . 2.11 109.653 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -93.73 154.26 17.88 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.235 -0.915 . . . . 0.64 109.597 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -141.17 137.14 32.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.341 -0.849 . . . . 0.49 109.013 179.352 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -94.77 164.67 12.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.809 . . . . 0.47 109.297 -179.893 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.08 131.91 15.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 0.42 109.627 -179.775 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -84.45 127.2 33.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 1.81 109.068 179.702 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.93 115.39 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.581 -0.699 . . . . 0.42 109.564 -179.631 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -75.4 151.02 38.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.529 -0.732 . . . . 2.35 109.953 179.798 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 137.58 4.05 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.436 -1.066 . . . . 0.41 110.436 179.307 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -85.05 -44.68 12.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.357 -1.084 . . . . 2.59 109.262 179.508 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.2 -46.12 86.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.06 -1.025 . . . . 2.54 109.084 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.52 -41.49 98.89 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.39 109.443 179.875 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.07 -55.81 23.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.487 -0.758 . . . . 0.47 109.348 179.805 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.51 -36.01 54.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 1.66 109.594 -179.873 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.36 -52.0 63.59 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.341 -0.85 . . . . 0.61 110.065 -179.508 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.6 -41.61 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.173 -0.954 . . . . 0.33 109.083 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.71 -43.22 62.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.893 . . . . 3.28 109.256 179.627 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.496 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 9.9 tp10 -59.89 -52.15 66.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 1.78 109.607 179.86 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.2 -39.56 86.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.166 -0.959 . . . . 0.38 108.869 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.14 -55.79 30.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.434 -0.791 . . . . 1.2 109.423 179.484 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.71 -32.69 74.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 2.12 109.991 -179.835 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.54 -52.84 63.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.26 110.006 -179.578 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.61 -43.81 98.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.4 109.491 -179.856 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.76 -33.52 70.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 2.09 109.549 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' D' ' 350' ' ' LEU . 2.6 tt -65.36 -54.25 31.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 0.75 109.383 -179.808 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.447 ' HZ1' ' HB2' ' D' ' 346' ' ' GLU . 31.7 ttmt -61.05 -38.67 87.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.389 -0.819 . . . . 2.19 108.994 179.888 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.06 -41.91 79.59 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 1.34 109.554 179.656 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.72 109.632 -179.71 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.22 0.533 . . . . 1.67 109.619 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.86 154.39 17.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.61 109.492 179.812 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.25 137.07 32.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.325 -0.859 . . . . 0.56 109.074 179.365 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.8 164.74 12.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.412 -0.805 . . . . 0.43 109.26 -179.93 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -150.21 131.84 14.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.35 109.587 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.4 127.32 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 1.37 109.125 179.652 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.0 115.52 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.558 -0.714 . . . . 0.48 109.535 -179.612 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.45 151.02 38.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.486 -0.758 . . . . 2.08 109.921 179.755 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.61 4.04 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.406 -1.077 . . . . 0.4 110.406 179.253 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.11 -44.54 12.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -1.019 . . . . 2.64 109.265 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.39 -46.0 87.22 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -0.933 . . . . 2.22 109.067 179.711 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.45 -41.65 98.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.505 -0.747 . . . . 2.74 109.417 179.774 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.03 -55.84 23.57 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.347 -0.846 . . . . 0.43 109.324 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -52.48 -36.01 54.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.69 109.518 -179.863 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.44 -51.97 63.44 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.285 -0.884 . . . . 0.43 110.031 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.27 109.051 -179.912 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.74 -43.15 62.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 2.45 109.247 179.602 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' C' ' 351' ' ' LYS . 9.9 tp10 -60.09 -52.15 66.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.296 -0.878 . . . . 1.75 109.516 179.931 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.05 -39.68 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 0.31 108.864 179.873 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -59.11 -55.84 29.87 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.43 -0.794 . . . . 1.22 109.422 179.566 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.447 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 97.5 mt-10 -63.76 -32.5 74.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.73 110.072 -179.851 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.69 -52.71 64.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.28 109.962 -179.536 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.71 -43.73 98.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -0.921 . . . . 0.31 109.41 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.77 -33.55 70.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.216 -0.928 . . . . 1.91 109.531 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.4 -54.28 31.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 0.43 109.418 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.496 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 31.4 ttmt -60.95 -38.77 87.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.335 -0.853 . . . . 1.57 108.905 179.838 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.97 -42.04 79.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.585 -0.697 . . . . 1.44 109.603 179.641 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.45 65.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.64 109.681 -179.637 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 1.21 109.397 179.937 . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.414 -0.587 . . . . 1.7 109.414 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -94.87 149.22 21.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.228 -0.92 . . . . 0.61 110.126 -179.669 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.58 135.13 29.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.378 -0.826 . . . . 0.58 108.852 178.918 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.7 p -96.75 162.79 13.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.299 -0.876 . . . . 0.42 109.369 -179.87 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -149.47 131.06 14.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.153 -0.967 . . . . 0.36 109.736 -179.644 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.81 126.42 33.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 1.37 109.023 179.63 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.2 mt -124.08 114.62 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 121.611 -0.681 . . . . 0.47 109.568 -179.626 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.05 154.92 35.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.852 . . . . 2.1 109.737 179.717 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.93 136.42 2.23 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.317 -1.113 . . . . 0.42 110.317 179.221 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.49 -42.99 16.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -1.09 . . . . 2.68 109.24 179.529 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.64 -47.43 84.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 2.22 109.119 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.76 -42.75 98.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.352 -0.842 . . . . 2.77 109.217 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.93 -56.13 23.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.534 -0.729 . . . . 0.43 109.473 179.904 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.79 -37.92 53.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 1.66 109.782 -179.846 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.92 -51.39 67.12 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.886 . . . . 0.44 109.953 -179.545 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.29 108.831 -179.961 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.16 -43.65 61.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.359 -0.838 . . . . 2.44 109.282 179.523 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.73 -51.09 71.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 1.74 109.777 -179.913 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.32 -38.11 85.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.3 108.864 179.726 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.12 50.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.439 -0.788 . . . . 1.22 109.299 179.611 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -62.97 -34.11 76.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.72 109.605 179.993 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -52.74 64.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.27 110.013 -179.562 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.61 -45.51 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 0.29 109.424 -179.821 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.18 73.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 1.91 109.216 179.805 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.74 -47.68 77.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.431 -0.793 . . . . 0.41 109.654 -179.893 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.8 -40.22 96.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 1.56 109.035 179.666 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.09 -37.46 69.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.502 -0.749 . . . . 1.43 109.23 179.656 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.87 82.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.343 -0.848 . . . . 0.66 109.534 179.886 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 1.18 109.519 -179.864 . . . . . . . . 0 0 . 1 . 076 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.431 -0.581 . . . . 1.61 109.431 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.8 149.21 21.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.241 -0.912 . . . . 0.57 110.207 -179.639 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.6 135.2 29.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.53 108.826 178.912 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -96.79 162.88 13.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.294 -0.879 . . . . 0.38 109.367 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.48 130.96 14.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.177 -0.952 . . . . 0.36 109.808 -179.657 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.73 126.4 33.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 1.36 109.032 179.629 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.97 114.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.555 -0.716 . . . . 0.49 109.637 -179.73 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -75.99 154.98 35.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 2.1 109.763 179.758 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.9 136.45 2.23 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.348 -1.101 . . . . 0.44 110.348 179.278 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -83.44 -43.1 16.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -1.064 . . . . 2.72 109.233 179.437 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.65 -47.35 84.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.184 -0.948 . . . . 2.21 109.135 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.66 98.15 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.38 -0.825 . . . . 2.79 109.216 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.97 -56.15 22.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.464 -0.773 . . . . 0.45 109.403 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.81 -37.94 53.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.32 -0.862 . . . . 1.68 109.787 -179.79 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.82 -51.49 66.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.239 -0.913 . . . . 0.43 109.963 -179.569 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.09 -43.43 98.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.149 -0.969 . . . . 0.28 108.891 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.25 -43.55 61.54 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.361 -0.837 . . . . 2.52 109.295 179.516 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.07 71.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 1.75 109.71 -179.852 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.29 -38.16 85.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.31 108.852 179.768 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.61 -54.04 51.58 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 1.21 109.343 179.6 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.02 -34.06 76.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 1.69 109.672 179.901 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.53 -52.79 64.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.895 . . . . 0.27 109.978 -179.593 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.7 mt -61.58 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.139 -0.976 . . . . 0.3 109.455 -179.803 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.3 -35.27 73.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 1.93 109.141 179.859 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.66 77.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.4 109.614 -179.829 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 1.59 108.962 179.694 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.03 -37.49 69.27 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.591 -0.693 . . . . 1.43 109.185 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.375 -0.828 . . . . 0.65 109.539 179.948 . . . . . . . . 0 0 . 1 . 076 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.373 -0.602 . . . . 2.11 109.373 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -94.88 149.23 21.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.206 -0.934 . . . . 0.64 110.158 -179.581 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.58 135.3 29.93 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.767 -0.827 . . . . 0.49 108.767 178.989 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.4 p -96.84 162.93 13.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.374 -0.829 . . . . 0.47 109.387 -179.849 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.61 131.04 14.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.191 -0.943 . . . . 0.42 109.685 -179.623 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.85 126.48 33.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 1.81 108.976 179.623 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.3 mt -124.03 114.66 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.581 -0.7 . . . . 0.42 109.582 -179.645 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.9 35.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.397 -0.814 . . . . 2.35 109.765 179.692 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.98 136.54 2.28 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.334 -1.106 . . . . 0.41 110.334 179.269 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.59 -43.07 16.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -1.095 . . . . 2.59 109.184 179.511 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.6 -47.55 83.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 2.54 109.083 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.64 -42.84 97.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.339 -0.85 . . . . 3.39 109.18 179.807 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.78 -56.2 21.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.47 -0.769 . . . . 0.47 109.481 179.917 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.91 -37.81 53.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.339 -0.85 . . . . 1.66 109.795 -179.793 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.86 -51.48 66.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.264 -0.897 . . . . 0.61 109.928 -179.607 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.51 98.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.33 108.82 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.18 -43.66 61.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.236 -0.915 . . . . 3.28 109.274 179.551 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.77 -51.09 71.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.338 -0.851 . . . . 1.78 109.739 -179.878 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.3 -38.16 85.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 0.38 108.859 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.06 51.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.336 -0.852 . . . . 1.2 109.353 179.582 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.05 -33.95 76.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.358 -0.839 . . . . 2.12 109.658 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.66 -52.68 64.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 0.26 110.015 -179.622 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.61 -45.47 93.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.885 . . . . 0.4 109.479 -179.859 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.23 73.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 2.09 109.186 179.75 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.69 -47.79 77.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.405 -0.809 . . . . 0.75 109.639 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.68 -40.31 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.277 -0.889 . . . . 2.19 109.046 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.1 -37.4 69.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.623 -0.673 . . . . 1.34 109.219 179.716 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.375 -0.828 . . . . 0.72 109.573 179.841 . . . . . . . . 0 0 . 1 . 076 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.374 -0.602 . . . . 1.67 109.374 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.84 149.32 21.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.168 -0.957 . . . . 0.61 110.094 -179.594 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.67 135.33 29.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.853 . . . . 0.56 108.746 178.933 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.1 p -96.86 162.79 13.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.367 -0.833 . . . . 0.43 109.352 -179.862 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.49 131.09 14.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.35 109.78 -179.721 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.83 126.46 33.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 1.37 108.918 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.4 mt -124.04 114.64 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.522 -0.736 . . . . 0.48 109.655 -179.714 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.87 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.308 -0.87 . . . . 2.08 109.788 179.773 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.87 136.53 2.23 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.353 -1.099 . . . . 0.4 110.353 179.292 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.55 -42.99 16.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -1.059 . . . . 2.64 109.239 179.55 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.59 -47.39 84.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.191 -0.943 . . . . 2.22 109.186 179.752 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.74 98.28 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.389 -0.819 . . . . 2.74 109.163 179.839 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.91 -56.09 23.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.58 -0.7 . . . . 0.43 109.481 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.93 -37.88 54.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.403 -0.81 . . . . 1.69 109.764 -179.776 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.84 -51.38 67.23 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.167 -0.958 . . . . 0.43 109.999 -179.591 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.15 -43.44 98.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.27 108.856 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.21 -43.53 61.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.294 -0.879 . . . . 2.45 109.332 179.515 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.04 71.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.335 -0.853 . . . . 1.75 109.746 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.35 -38.13 85.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.31 108.847 179.781 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.57 -54.1 50.91 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 1.22 109.352 179.575 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.389 -0.82 . . . . 1.73 109.621 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -52.77 64.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.314 -0.867 . . . . 0.28 109.975 -179.582 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.56 -45.48 93.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 0.31 109.506 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.18 -35.33 73.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 1.91 109.182 179.753 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.59 77.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 0.43 109.677 -179.848 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.71 -40.33 96.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.57 109.031 179.598 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.07 -37.48 69.38 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.586 -0.696 . . . . 1.44 109.232 179.722 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 0.64 109.546 179.929 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.913 . . . . 1.21 109.545 -179.897 . . . . . . . . 0 0 . 1 . 077 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.539 -0.541 . . . . 1.7 109.539 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.65 156.16 16.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.307 -0.871 . . . . 0.61 110.016 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.83 -169.15 2.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.613 -0.679 . . . . 0.58 109.393 -179.907 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -151.5 148.55 28.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.26 -0.9 . . . . 0.42 109.012 -179.859 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -142.0 135.63 29.48 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.352 -0.843 . . . . 0.36 109.677 -178.956 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.74 131.48 34.32 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.468 -0.938 . . . . 1.37 108.468 178.971 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.62 116.28 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.423 -0.798 . . . . 0.47 109.367 -179.545 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 333' ' ' ARG . 29.6 ttt-85 -75.39 149.59 38.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.5 -0.75 . . . . 2.1 109.899 -179.93 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.85 134.28 2.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.138 -1.185 . . . . 0.42 110.138 179.46 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -81.39 -45.71 15.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.085 . . . . 2.68 109.249 179.549 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.75 -41.18 85.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.145 -0.972 . . . . 2.22 108.926 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -63.53 -40.34 96.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.381 -0.824 . . . . 2.77 109.158 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -55.3 -54.9 37.68 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.505 -0.747 . . . . 0.43 109.698 -179.988 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.11 -37.07 52.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 1.66 109.75 -179.91 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.55 -51.3 67.9 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.202 -0.936 . . . . 0.44 110.161 -179.496 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -44.9 96.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.189 -0.944 . . . . 0.29 109.085 -179.898 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.31 -39.17 56.34 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.272 -0.892 . . . . 2.44 109.329 179.768 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.03 -53.96 50.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.74 109.854 -179.836 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.37 -39.5 87.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.127 -0.983 . . . . 0.3 108.688 179.703 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.99 -55.23 37.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.538 -0.726 . . . . 1.22 109.385 179.629 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.64 -34.33 77.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 1.72 109.652 -179.94 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.79 -50.5 73.71 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.307 -0.871 . . . . 0.27 109.674 -179.79 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.36 -46.18 89.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.223 -0.923 . . . . 0.29 109.314 179.854 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.97 -32.43 69.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.334 -0.854 . . . . 1.91 109.492 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.12 -52.79 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.332 -0.855 . . . . 0.41 109.215 179.943 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 32.1 ttmt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.377 -0.827 . . . . 1.56 109.122 179.873 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.45 68.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.583 -0.698 . . . . 1.43 109.546 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -36.79 82.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.88 . . . . 0.66 109.803 -179.638 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.24 -0.912 . . . . 1.18 109.544 -179.851 . . . . . . . . 0 0 . 1 . 077 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.472 -0.566 . . . . 1.61 109.472 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -94.65 156.22 16.51 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.57 109.935 -179.861 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.83 -169.12 2.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.495 -0.753 . . . . 0.53 109.42 -179.986 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.0 p -151.54 148.54 28.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.142 -0.974 . . . . 0.38 109.001 -179.835 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.03 135.65 29.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -0.865 . . . . 0.36 109.71 -178.965 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.76 131.47 34.31 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.438 -0.949 . . . . 1.36 108.438 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.54 116.19 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.502 -0.749 . . . . 0.49 109.492 -179.62 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 333' ' ' ARG . 29.6 ttt-85 -75.3 149.55 38.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.501 -0.749 . . . . 2.1 109.9 -179.924 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.28 2.97 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.11 -1.196 . . . . 0.44 110.11 179.422 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -81.33 -45.87 15.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -1.058 . . . . 2.72 109.158 179.613 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.77 -41.07 85.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.102 -0.999 . . . . 2.21 108.947 179.677 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -63.65 -40.25 96.4 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.33 -0.856 . . . . 2.79 109.125 179.667 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -55.41 -54.87 38.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.593 -0.692 . . . . 0.45 109.598 -179.885 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.09 -37.11 52.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -0.865 . . . . 1.68 109.723 -179.884 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.46 -51.34 67.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.902 . . . . 0.43 110.2 -179.534 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.32 -44.8 96.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.28 109.116 -179.923 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.36 -39.2 56.61 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.228 -0.92 . . . . 2.52 109.236 179.765 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.1 -54.03 49.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 1.75 109.783 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.28 -39.53 87.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.065 -1.022 . . . . 0.31 108.651 179.737 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.97 -55.28 37.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 1.21 109.398 179.661 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.43 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 43.9 mt-10 -63.63 -34.23 77.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.343 -0.848 . . . . 1.69 109.584 -179.969 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -50.55 73.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.268 -0.895 . . . . 0.27 109.599 -179.735 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.28 -46.26 89.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.3 109.327 179.868 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.75 -32.66 69.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 1.93 109.449 -179.957 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 350' ' ' LEU . 2.7 tt -65.08 -52.8 53.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.4 109.169 -179.945 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.18 89.73 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.328 -0.858 . . . . 1.59 109.15 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.44 68.9 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.534 -0.729 . . . . 1.43 109.481 179.88 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.65 109.763 -179.618 . . . . . . . . 0 0 . 1 . 077 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.524 -0.547 . . . . 2.11 109.524 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.59 156.22 16.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.138 -0.976 . . . . 0.64 109.947 -179.869 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.88 -169.07 2.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.565 -0.71 . . . . 0.49 109.399 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.5 p -151.61 148.5 28.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 0.47 108.936 -179.785 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.6 tp -142.0 135.69 29.54 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.344 -0.847 . . . . 0.42 109.705 -179.041 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.81 131.48 34.3 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.436 -0.95 . . . . 1.81 108.436 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.52 116.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.451 -0.781 . . . . 0.42 109.402 -179.587 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' C' ' 333' ' ' ARG . 29.7 ttt-85 -75.36 149.5 38.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.638 -0.664 . . . . 2.35 109.897 -179.984 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.23 2.96 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.15 -1.18 . . . . 0.41 110.15 179.4 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -81.21 -45.89 15.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -1.096 . . . . 2.59 109.242 179.588 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.72 -41.07 85.54 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.135 -0.978 . . . . 2.54 108.959 179.672 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.69 -40.26 96.37 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 3.39 109.113 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -55.25 -55.01 36.27 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.541 -0.724 . . . . 0.47 109.591 -179.934 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.08 -37.06 52.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 1.66 109.783 -179.855 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.5 -51.42 67.49 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.247 -0.908 . . . . 0.61 110.118 -179.507 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.27 -44.89 96.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.179 -0.951 . . . . 0.33 109.053 -179.821 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.27 -39.26 56.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 3.28 109.298 179.705 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.06 -54.01 50.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.78 109.849 -179.795 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 344' ' ' LEU . 20.2 mt -60.27 -39.54 87.21 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.193 -0.942 . . . . 0.38 108.704 179.67 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.95 -55.24 37.66 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.542 -0.723 . . . . 1.2 109.461 179.568 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.445 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 43.8 mt-10 -63.74 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 2.12 109.611 -179.916 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.88 -50.6 73.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.26 109.635 -179.828 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.34 -46.18 89.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.4 109.354 179.919 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.85 -32.47 69.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.325 -0.86 . . . . 2.09 109.47 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -65.17 -52.77 52.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.75 109.193 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.4 -46.18 89.74 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.318 -0.863 . . . . 2.19 109.173 179.855 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.57 -32.33 68.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.612 -0.68 . . . . 1.34 109.572 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.72 109.751 -179.643 . . . . . . . . 0 0 . 1 . 077 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.468 -0.567 . . . . 1.67 109.468 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -94.65 156.31 16.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.263 -0.898 . . . . 0.61 109.874 -179.807 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.89 -169.16 2.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.51 -0.744 . . . . 0.56 109.402 -179.932 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 46.6 p -151.52 148.65 28.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.139 -0.975 . . . . 0.43 109.001 -179.909 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.11 135.52 29.17 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.369 -0.832 . . . . 0.35 109.673 -178.942 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.68 131.46 34.33 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.5 -0.926 . . . . 1.37 108.5 178.954 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.52 116.26 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.486 -0.758 . . . . 0.48 109.381 -179.53 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 29.7 ttt-85 -75.24 149.45 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.618 -0.676 . . . . 2.08 109.877 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.82 134.23 2.94 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.144 -1.182 . . . . 0.4 110.144 179.365 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.579 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -81.23 -45.76 15.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.43 -1.041 . . . . 2.64 109.247 179.612 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.83 -41.08 86.03 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 2.22 108.899 179.695 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.6 -40.26 96.48 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.322 -0.861 . . . . 2.74 109.16 179.657 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.37 -54.85 38.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.52 -0.737 . . . . 0.43 109.637 -179.97 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.23 -37.07 54.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.27 -0.894 . . . . 1.69 109.712 -179.816 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.44 -51.39 67.7 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.244 -0.91 . . . . 0.43 110.188 -179.553 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.187 -0.946 . . . . 0.27 109.149 -179.961 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.24 -39.25 56.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.168 -0.958 . . . . 2.45 109.271 179.688 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.13 -53.94 50.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 109.808 -179.724 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.34 -39.53 87.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.157 -0.964 . . . . 0.31 108.646 179.777 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.495 -0.753 . . . . 1.22 109.399 179.626 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.76 -34.16 77.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.41 -0.806 . . . . 1.73 109.586 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.96 -50.52 73.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 0.28 109.598 -179.769 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.33 -46.21 89.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.289 -0.882 . . . . 0.31 109.341 179.879 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.84 -32.5 69.48 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.313 -0.867 . . . . 1.91 109.473 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.02 -52.89 53.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.43 109.234 179.913 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.445 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 32.1 ttmt -62.41 -46.21 89.62 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.355 -0.841 . . . . 1.57 109.097 179.903 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.52 -32.41 68.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.55 -0.719 . . . . 1.44 109.539 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.83 82.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.3 -0.875 . . . . 0.64 109.772 -179.57 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 1.21 109.612 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.461 -0.57 . . . . 7.33 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 59.24 37.29 23.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 7.21 109.436 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 323' ' ' LEU . 28.8 mmtp 50.85 73.55 0.96 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 6.47 109.368 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.4 Cg_endo -64.94 12.32 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.632 1.555 . . . . 4.53 110.279 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 321' ' ' LYS . 13.3 mt -80.35 36.16 0.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -0.947 . . . . 4.35 109.212 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 324' ' ' ASP . 1.4 m-20 -77.8 -117.58 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.737 -0.602 . . . . 2.48 109.972 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 148.98 49.25 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.981 -1.248 . . . . 0.98 109.981 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.08 140.88 57.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.494 -1.003 . . . . 1.7 109.669 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 44.3 m-85 -94.26 157.02 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.252 -0.905 . . . . 0.61 109.368 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -138.8 -170.53 2.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.325 -0.859 . . . . 0.58 109.404 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -151.45 146.45 25.94 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.704 -0.85 . . . . 0.42 108.704 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.41 135.68 32.3 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.376 -0.827 . . . . 0.36 109.699 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.47 34.58 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.495 -0.928 . . . . 1.37 108.495 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.2 113.86 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.419 -0.801 . . . . 0.47 109.205 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.36 151.46 41.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.655 -0.653 . . . . 2.1 109.792 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 137.37 2.89 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.067 -1.213 . . . . 0.42 110.067 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -81.88 -45.6 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.368 -1.078 . . . . 2.68 109.353 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.37 -43.6 83.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.205 -0.934 . . . . 2.22 109.162 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.12 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.346 -0.846 . . . . 2.77 109.297 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.68 -56.5 18.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.613 -0.679 . . . . 0.43 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.97 -39.54 59.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.305 -0.872 . . . . 1.66 109.724 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.2 -51.94 64.29 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.301 -0.874 . . . . 0.44 110.349 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.93 -46.02 92.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.29 108.944 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.39 -42.29 61.31 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.3 -0.875 . . . . 2.44 109.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.4 -44.06 96.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 1.74 109.728 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.19 -46.46 90.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.942 . . . . 0.3 109.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -58.19 -49.35 77.37 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.287 -0.883 . . . . 1.22 109.252 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.8 -38.74 91.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 1.72 109.578 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.61 56.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.27 109.759 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.72 -43.23 98.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.29 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.47 -35.46 74.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.902 . . . . 1.91 109.147 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.83 -46.67 84.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.876 . . . . 0.41 108.96 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.15 -50.58 67.65 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.738 -0.838 . . . . 1.56 108.738 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.41 75.32 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.623 -0.673 . . . . 1.43 109.197 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.68 64.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.838 . . . . 0.66 109.685 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.93 -27.48 33.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 1.18 109.407 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.37 55.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.292 -0.88 . . . . 1.23 109.144 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -7.22 82.9 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.567 -1.413 . . . . 1.54 109.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.46 137.15 33.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -1.179 . . . . 4.18 109.149 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -49.82 137.88 18.41 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.181 -0.949 . . . . 5.71 109.042 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.94 154.68 42.98 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 N-CA-C 109.612 -0.957 . . . . 5.61 109.612 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.524 -1.431 . . . . 7.24 109.524 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.512 -0.551 . . . . 7.34 109.512 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 59.27 37.32 23.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 7.17 109.396 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' B' ' 323' ' ' LEU . 28.8 mmtp 50.87 73.53 0.96 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 6.44 109.38 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' B' ' 324' ' ' ASP . 2.4 Cg_endo -64.93 12.37 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.599 1.533 . . . . 4.54 110.324 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' B' ' 321' ' ' LYS . 13.4 mt -80.43 36.18 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.982 . . . . 4.32 109.17 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 1.4 m-20 -77.85 -117.71 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.708 -0.62 . . . . 2.47 109.911 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.39 148.99 49.4 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.056 -1.218 . . . . 0.95 110.056 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.07 140.82 57.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.466 -1.02 . . . . 1.61 109.646 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 44.5 m-85 -94.19 157.2 16.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.922 . . . . 0.57 109.418 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -138.97 -170.68 2.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.841 . . . . 0.53 109.402 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.43 146.47 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.759 -0.83 . . . . 0.38 108.759 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.39 135.7 32.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.351 -0.843 . . . . 0.36 109.805 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.36 34.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.523 -0.917 . . . . 1.36 108.523 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.09 113.73 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.482 -0.761 . . . . 0.49 109.283 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.454 ' NH2' ' CB ' ' D' ' 324' ' ' ASP . 50.4 ttt180 -73.22 151.39 41.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.634 -0.666 . . . . 2.1 109.864 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.09 137.32 2.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.039 -1.224 . . . . 0.44 110.039 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.94 -45.52 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.413 -1.051 . . . . 2.72 109.237 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.59 83.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.231 -0.918 . . . . 2.21 109.162 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.335 -0.853 . . . . 2.79 109.287 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.62 -56.49 18.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.531 -0.731 . . . . 0.45 109.768 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.91 -39.58 59.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.855 . . . . 1.68 109.685 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.22 -51.95 64.17 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.337 -0.852 . . . . 0.43 110.317 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.97 -45.95 92.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.28 108.948 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.34 -42.31 61.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 2.52 109.302 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.48 -44.02 96.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.235 -0.915 . . . . 1.75 109.657 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.21 -46.48 90.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.208 -0.932 . . . . 0.31 109.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.16 -49.4 77.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.36 -0.838 . . . . 1.21 109.321 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.78 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.354 -0.841 . . . . 1.69 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -53.51 57.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 0.27 109.8 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.93 -43.01 99.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.3 109.258 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.75 -35.28 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.315 -0.866 . . . . 1.93 109.087 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.86 -46.7 83.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 0.4 109.025 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.06 -50.61 67.69 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.59 108.762 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -37.39 75.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 109.171 -0.678 . . . . 1.43 109.171 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.75 64.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 0.65 109.667 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -81.85 -27.56 33.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 1.19 109.399 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.2 54.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.232 -0.917 . . . . 1.22 109.186 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -7.29 82.81 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.524 -1.43 . . . . 1.53 109.524 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.47 137.1 33.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -1.122 . . . . 4.21 109.088 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -49.73 137.85 17.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.155 -0.966 . . . . 5.68 108.957 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.02 154.69 43.44 Favored 'Trans proline' 0 C--O 1.214 -0.719 0 N-CA-C 109.548 -0.982 . . . . 5.57 109.548 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.971 -1.46 . . . . 7.2 109.49 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.448 -0.575 . . . . 8.96 109.448 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 71.0 tttt 59.23 37.42 23.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 8.15 109.459 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' C' ' 323' ' ' LEU . 28.8 mmtp 50.75 73.61 0.95 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 7.15 109.39 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' C' ' 324' ' ' ASP . 2.4 Cg_endo -64.92 12.28 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.101 0 C-N-CA 121.665 1.576 . . . . 4.35 110.282 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' C' ' 321' ' ' LYS . 13.4 mt -80.44 36.25 0.36 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.114 -0.991 . . . . 4.63 109.18 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' C' ' 324' ' ' ASP . 1.4 m-20 -77.86 -117.61 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.696 -0.628 . . . . 2.85 109.95 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 148.98 49.21 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.954 -1.258 . . . . 1.12 109.954 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.07 140.84 57.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.477 -1.014 . . . . 2.11 109.662 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 45.2 m-85 -94.26 157.14 16.19 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.279 -0.888 . . . . 0.64 109.379 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.88 -170.7 2.92 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.36 -0.837 . . . . 0.49 109.39 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -151.46 146.4 25.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 0.47 108.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 61.2 tp -140.31 135.77 32.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.412 -0.805 . . . . 0.42 109.792 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.52 130.46 34.57 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.534 -0.914 . . . . 1.81 108.534 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.17 113.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.471 -0.768 . . . . 0.42 109.229 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.29 151.38 41.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.723 -0.611 . . . . 2.35 109.83 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.08 137.38 2.95 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.989 -1.244 . . . . 0.41 109.989 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.98 -45.52 15.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.397 -1.061 . . . . 2.59 109.235 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.42 -43.54 83.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.955 . . . . 2.54 109.156 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -63.28 -41.74 99.03 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.318 -0.864 . . . . 3.39 109.304 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.69 -56.45 18.99 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.53 -0.731 . . . . 0.47 109.742 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.99 -39.5 59.5 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.347 -0.846 . . . . 1.66 109.758 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.25 -52.0 63.92 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.322 -0.861 . . . . 0.61 110.297 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.85 -45.97 92.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.33 109.02 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.38 -42.33 61.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.224 -0.922 . . . . 3.28 109.27 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.47 -43.99 96.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.871 . . . . 1.78 109.74 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.13 -46.56 90.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.38 109.154 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -58.12 -49.41 77.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.286 -0.884 . . . . 1.2 109.282 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.79 91.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.329 -0.857 . . . . 2.12 109.589 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.45 58.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.373 -0.83 . . . . 0.26 109.771 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.83 -43.11 98.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.4 109.27 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.65 -35.37 74.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 2.09 109.087 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.84 -46.74 83.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.437 -0.789 . . . . 0.75 108.943 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.05 -50.67 67.5 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.764 -0.828 . . . . 2.19 108.764 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.34 75.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.225 -0.657 . . . . 1.34 109.225 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.66 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.72 109.679 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -81.93 -27.5 33.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 1.8 109.403 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.28 -8.3 55.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 1.39 109.157 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 -7.28 82.91 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.493 -1.443 . . . . 1.66 109.493 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.41 137.09 33.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.187 -1.184 . . . . 4.45 109.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -49.8 137.87 18.27 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.143 -0.973 . . . . 6.19 108.94 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.08 154.68 43.83 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 N-CA-C 109.514 -0.995 . . . . 5.58 109.514 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.038 -1.424 . . . . 6.9 109.547 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.498 -0.556 . . . . 7.36 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 59.23 37.39 23.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 7.15 109.418 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' D' ' 323' ' ' LEU . 28.8 mmtp 50.76 73.6 0.95 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 6.5 109.382 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' D' ' 324' ' ' ASP . 2.4 Cg_endo -64.9 12.31 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 C-N-CA 121.637 1.558 . . . . 4.5 110.369 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' D' ' 321' ' ' LYS . 13.4 mt -80.41 36.22 0.36 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.073 -1.017 . . . . 4.32 109.141 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.454 ' CB ' ' NH2' ' B' ' 333' ' ' ARG . 1.4 m-20 -77.89 -117.65 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.706 -0.621 . . . . 2.46 109.874 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 148.98 49.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 110.014 -1.234 . . . . 0.97 110.014 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.1 140.86 57.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.446 -1.032 . . . . 1.67 109.669 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 44.5 m-85 -94.22 157.07 16.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.61 109.37 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.84 -170.59 2.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.288 -0.882 . . . . 0.56 109.418 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -151.46 146.5 25.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.319 -0.863 . . . . 0.43 108.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.3 tp -140.4 135.67 32.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.446 -0.784 . . . . 0.35 109.722 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.5 130.43 34.58 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.463 -0.939 . . . . 1.37 108.463 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.17 113.85 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.682 0.753 . . . . 0.48 109.183 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.416 ' NH2' ' CB ' ' B' ' 324' ' ' ASP . 50.6 ttt180 -73.32 151.43 41.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.689 -0.632 . . . . 2.08 109.795 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.94 137.37 2.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.048 -1.221 . . . . 0.4 110.048 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -82.04 -45.42 15.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -1.057 . . . . 2.64 109.289 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.6 83.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.304 -0.873 . . . . 2.22 109.106 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.23 -41.83 99.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.322 -0.861 . . . . 2.74 109.287 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.66 -56.51 18.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.545 -0.722 . . . . 0.43 109.72 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.9 -39.62 59.36 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.26 -0.9 . . . . 1.69 109.745 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.15 -52.0 64.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.265 -0.897 . . . . 0.43 110.301 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.9 -45.95 92.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.27 108.993 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.46 -42.22 61.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.288 -0.882 . . . . 2.45 109.306 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.41 -44.13 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.247 -0.908 . . . . 1.75 109.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.12 -46.5 90.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.239 -0.913 . . . . 0.31 109.182 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 1.22 109.281 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.75 -38.82 92.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 1.73 109.581 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.56 57.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.293 -0.879 . . . . 0.28 109.806 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.83 -43.2 98.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.31 109.281 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.57 -35.33 74.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.881 . . . . 1.91 109.15 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.83 -46.71 83.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 0.43 109.063 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.09 -50.63 67.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.746 -0.835 . . . . 1.57 108.746 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.625 -0.672 . . . . 1.44 109.187 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -19.73 64.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.64 109.677 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -81.95 -27.46 33.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 1.21 109.433 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -8.31 55.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 1.22 109.238 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 -7.32 82.94 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.54 -1.424 . . . . 1.5 109.54 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -85.44 137.22 33.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 4.18 109.137 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -49.87 137.89 18.74 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.147 -0.971 . . . . 5.67 109.053 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.98 154.67 43.27 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 N-CA-C 109.587 -0.967 . . . . 5.65 109.587 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.003 -1.443 . . . . 7.27 109.538 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.457 -0.571 . . . . 7.33 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 319' ' ' LYS . 63.8 tttt 59.2 111.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.291 -0.881 . . . . 7.21 109.615 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 51.25 69.9 2.29 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.272 -0.892 . . . . 6.47 109.657 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.65 41.05 0.36 Allowed 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 121.885 1.724 . . . . 4.53 110.34 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.3 mt -79.05 97.99 6.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.619 -1.301 . . . . 4.35 109.62 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -83.47 156.21 22.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 2.48 109.686 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.82 164.9 51.12 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.644 -1.383 . . . . 0.98 109.644 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.55 139.35 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -1.124 . . . . 1.7 109.714 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -95.03 155.47 16.72 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.258 -0.901 . . . . 0.61 109.718 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.22 138.67 31.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.226 -0.921 . . . . 0.58 109.1 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -96.36 161.71 13.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.304 -0.872 . . . . 0.42 109.024 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.6 tp -149.31 135.29 18.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 0.36 110.253 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.57 34.74 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.635 -0.876 . . . . 1.37 108.635 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -124.33 118.06 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 CA-C-O 121.663 0.744 . . . . 0.47 109.958 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.43 147.71 35.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.62 -0.675 . . . . 2.1 109.801 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.49 137.64 5.43 Favored Glycine 0 N--CA 1.496 2.681 0 O-C-N 121.139 -0.976 . . . . 0.42 110.755 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.43 -43.36 13.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.549 -0.971 . . . . 2.68 109.252 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.27 -45.92 91.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.186 -0.946 . . . . 2.22 109.547 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.507 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -62.94 -40.71 98.47 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.249 -0.907 . . . . 2.77 109.667 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -52.64 52.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.406 -0.808 . . . . 0.43 109.616 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.25 -38.52 63.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 1.66 110.037 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 60.0 ttp -64.61 -50.16 68.23 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.221 -0.925 . . . . 0.44 110.621 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -59.71 -44.71 93.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.082 -1.011 . . . . 0.29 109.016 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.84 -45.96 59.9 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.393 -0.817 . . . . 2.44 109.54 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.06 -48.56 81.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 1.74 110.051 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.73 -38.8 86.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.3 109.164 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -59.12 -53.11 62.03 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.385 -0.822 . . . . 1.22 109.827 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.98 -33.7 76.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.72 110.105 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.2 -55.71 31.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.937 . . . . 0.27 110.318 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.23 -41.84 97.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.29 109.53 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.46 75.03 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.1 -1.0 . . . . 1.91 109.011 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.95 -52.03 53.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.461 -0.775 . . . . 0.41 109.549 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 355' ' ' ALA . 15.2 ttmm -62.34 -38.77 90.76 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.699 0.762 . . . . 1.56 109.059 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.32 -39.08 69.54 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.62 -0.675 . . . . 1.43 109.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.76 47.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.66 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.483 ' OE1' ' NE2' ' B' ' 354' ' ' GLN . 22.3 mt-30 -81.63 1.49 33.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.845 . . . . 1.18 109.849 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.65 -80.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 1.23 109.376 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.96 82.01 0.01 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.659 -1.376 . . . . 1.54 109.659 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 355' ' ' ALA . 79.5 tttt -86.55 -86.97 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.267 -1.137 . . . . 4.18 109.488 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.98 153.79 2.88 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 5.71 109.012 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.57 150.51 34.86 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.116 1.211 . . . . 5.61 109.816 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.985 -1.453 . . . . 7.24 109.598 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.465 -0.569 . . . . 7.34 109.465 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 319' ' ' LYS . 63.9 tttt 59.16 112.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.361 -0.837 . . . . 7.17 109.575 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 51.34 69.82 2.32 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.897 . . . . 6.44 109.677 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.63 40.98 0.36 Allowed 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 121.839 1.693 . . . . 4.54 110.379 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.93 98.03 6.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.501 -1.374 . . . . 4.32 109.628 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -83.47 156.39 22.9 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.457 -0.777 . . . . 2.47 109.645 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.09 164.94 51.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.581 -1.408 . . . . 0.95 109.581 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.51 139.23 57.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -1.119 . . . . 1.61 109.749 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -95.01 155.43 16.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.29 -0.881 . . . . 0.57 109.649 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -142.14 138.69 31.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.303 -0.873 . . . . 0.53 109.087 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -96.31 161.82 13.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.38 109.061 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.8 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 0.36 110.18 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.52 34.72 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.652 -0.87 . . . . 1.36 108.652 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.26 118.13 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-O 121.643 0.735 . . . . 0.49 109.883 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -77.55 147.79 35.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.598 -0.689 . . . . 2.1 109.76 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.54 137.69 5.47 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.691 -0.964 . . . . 0.44 110.691 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.44 -43.41 13.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.471 -1.017 . . . . 2.72 109.263 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.25 -45.83 91.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 2.21 109.563 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.504 ' HG3' HH11 ' B' ' 337' ' ' ARG . 19.5 ttm-85 -63.06 -40.67 98.39 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 2.79 109.592 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.58 -52.5 54.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.455 -0.778 . . . . 0.45 109.611 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -53.24 -38.54 63.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 1.68 110.029 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.63 -50.23 67.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 0.43 110.577 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -59.74 -44.72 93.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.28 108.975 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.75 -46.05 59.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.383 -0.823 . . . . 2.52 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.06 -48.61 80.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 1.75 110.047 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.65 -38.77 85.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.31 109.267 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.21 -53.12 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.21 109.731 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.02 -33.69 76.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.69 110.115 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.27 -55.64 32.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.214 -0.929 . . . . 0.27 110.272 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.2 -41.85 97.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.3 109.615 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.01 -35.44 75.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 1.93 108.995 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.427 HD11 HE22 ' A' ' 354' ' ' GLN . 26.1 tp -65.98 -51.82 54.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.463 -0.773 . . . . 0.4 109.571 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 355' ' ' ALA . 15.2 ttmm -62.38 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.355 -0.841 . . . . 1.59 108.984 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.25 -39.07 69.34 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.616 -0.678 . . . . 1.43 109.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.76 48.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.65 109.631 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.483 ' NE2' ' OE1' ' A' ' 354' ' ' GLN . 68.0 mt-30 -81.75 1.62 33.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.408 -0.808 . . . . 1.19 109.863 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.72 -80.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 1.22 109.386 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.95 81.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.698 -1.361 . . . . 1.53 109.698 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' B' ' 355' ' ' ALA . 79.5 tttt -86.44 -87.07 0.14 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -1.135 . . . . 4.21 109.521 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 153.81 2.87 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 5.68 108.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.58 150.39 35.48 Favored 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 121.171 1.247 . . . . 5.57 109.824 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.014 -1.436 . . . . 7.2 109.583 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.538 -0.541 . . . . 8.96 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 319' ' ' LYS . 63.8 tttt 59.09 112.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 8.15 109.657 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 51.29 69.87 2.3 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.436 -0.79 . . . . 7.15 109.659 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.66 41.01 0.36 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.909 1.739 . . . . 4.35 110.349 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.97 98.0 6.27 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.566 -1.334 . . . . 4.63 109.67 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -83.42 156.31 23.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.483 -0.76 . . . . 2.85 109.692 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.99 164.9 51.46 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.64 -1.384 . . . . 1.12 109.64 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.58 139.39 57.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.279 -1.13 . . . . 2.11 109.741 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -95.09 155.51 16.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -0.878 . . . . 0.64 109.705 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.2 138.58 31.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.216 -0.927 . . . . 0.49 109.075 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -96.22 161.6 13.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.919 . . . . 0.47 109.104 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.2 tp -149.26 135.45 19.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.972 . . . . 0.42 110.165 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.34 128.55 34.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.635 -0.876 . . . . 1.81 108.635 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.39 118.09 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-O 121.732 0.777 . . . . 0.42 109.881 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.49 147.78 35.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 2.35 109.772 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.57 137.66 5.47 Favored Glycine 0 N--CA 1.497 2.73 0 C-N-CA 120.257 -0.973 . . . . 0.41 110.723 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -85.45 -43.46 13.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -1.027 . . . . 2.59 109.228 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.25 -45.83 91.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.91 . . . . 2.54 109.579 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.514 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.73 98.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.264 -0.898 . . . . 3.39 109.569 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.51 -52.59 53.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.435 -0.791 . . . . 0.47 109.619 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -53.2 -38.57 62.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.882 . . . . 1.66 110.028 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.56 -50.21 68.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.201 -0.937 . . . . 0.61 110.598 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -59.68 -44.73 93.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.33 109.011 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.88 -45.94 60.24 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 3.28 109.553 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.13 -48.56 81.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.385 -0.822 . . . . 1.78 109.999 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.65 -38.77 85.93 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.122 -0.986 . . . . 0.38 109.22 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -59.27 -53.05 62.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 1.2 109.688 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.01 -33.65 76.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 2.12 110.033 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -55.72 31.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.291 -0.881 . . . . 0.26 110.226 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -41.91 97.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.4 109.521 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.95 -35.51 75.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.172 -0.955 . . . . 2.09 109.002 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.413 HD11 HE22 ' D' ' 354' ' ' GLN . 26.1 tp -65.89 -51.94 54.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 0.75 109.547 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' C' ' 355' ' ' ALA . 15.2 ttmm -62.39 -38.91 91.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.435 -0.791 . . . . 2.19 109.007 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.3 -38.99 69.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.659 -0.651 . . . . 1.34 109.477 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.8 47.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.72 109.608 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.53 ' NE2' ' OE1' ' D' ' 354' ' ' GLN . 68.1 mt-30 -81.73 1.59 33.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.377 -0.827 . . . . 1.8 109.85 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.72 -80.95 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.39 109.342 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.89 82.01 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.657 -1.377 . . . . 1.66 109.657 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' C' ' 355' ' ' ALA . 79.4 tttt -86.51 -87.1 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.205 -1.174 . . . . 4.45 109.44 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' C' ' 358' ' ' GLU . 0.8 OUTLIER -50.87 153.77 2.81 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.223 -0.923 . . . . 6.19 108.956 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.58 150.5 34.97 Favored 'Trans proline' 0 C--N 1.322 -0.827 0 C-N-CA 120.999 1.133 . . . . 5.58 109.932 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 117.932 -1.482 . . . . 6.9 109.564 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.273 0.559 . . . . 7.36 109.534 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 319' ' ' LYS . 63.8 tttt 59.26 112.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.283 -0.886 . . . . 7.15 109.603 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 51.26 69.84 2.32 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 6.5 109.731 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.68 41.06 0.36 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 121.813 1.676 . . . . 4.5 110.344 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.97 97.92 6.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.557 -1.34 . . . . 4.32 109.639 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -83.44 156.39 22.94 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.495 -0.753 . . . . 2.46 109.628 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.92 164.96 51.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.659 -1.376 . . . . 0.97 109.659 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.62 139.31 57.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.211 -1.17 . . . . 1.67 109.664 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -95.03 155.56 16.68 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.242 -0.911 . . . . 0.61 109.657 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.25 138.69 31.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.184 -0.947 . . . . 0.56 109.039 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -96.36 161.84 13.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.43 109.055 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.026 . . . . 0.35 110.195 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.18 128.57 34.72 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.703 -0.851 . . . . 1.37 108.703 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.33 118.15 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 CA-C-O 121.603 0.716 . . . . 0.48 109.867 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.59 147.81 35.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.639 -0.663 . . . . 2.08 109.795 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.53 137.56 5.42 Favored Glycine 0 N--CA 1.495 2.613 0 O-C-N 121.189 -0.944 . . . . 0.4 110.764 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -85.4 -43.35 13.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.465 -1.021 . . . . 2.64 109.263 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.34 -45.81 92.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.22 109.527 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.508 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.64 98.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.283 -0.885 . . . . 2.74 109.612 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.67 -52.42 55.93 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.456 -0.777 . . . . 0.43 109.617 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.34 -38.47 63.28 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 1.69 109.999 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 60.0 ttp -64.72 -50.08 68.34 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.197 -0.94 . . . . 0.43 110.638 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.78 -44.72 93.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.064 -1.023 . . . . 0.27 108.977 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -50.78 -46.01 59.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.409 -0.807 . . . . 2.45 109.537 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.11 -48.63 80.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.275 -0.89 . . . . 1.75 110.018 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.58 -38.82 85.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.093 -1.004 . . . . 0.31 109.231 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.15 -53.15 61.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.277 -0.89 . . . . 1.22 109.712 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.01 -33.59 76.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 1.73 110.042 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.29 -55.73 31.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.122 -0.986 . . . . 0.28 110.317 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.26 -41.83 97.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.088 -1.008 . . . . 0.31 109.567 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.51 75.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.136 -0.977 . . . . 1.91 108.972 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.92 -52.02 53.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.42 -0.8 . . . . 0.43 109.571 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' D' ' 355' ' ' ALA . 15.2 ttmm -62.34 -38.85 91.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.379 -0.826 . . . . 1.57 108.993 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.27 -39.11 69.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.719 -0.613 . . . . 1.44 109.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.77 -50.74 48.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 0.64 109.559 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.53 ' OE1' ' NE2' ' C' ' 354' ' ' GLN . 22.3 mt-30 -81.64 1.52 33.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.84 . . . . 1.21 109.865 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.7 -80.93 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.125 -0.984 . . . . 1.22 109.374 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.91 82.06 0.01 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.68 -1.368 . . . . 1.5 109.68 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 355' ' ' ALA . 79.5 tttt -86.52 -87.04 0.14 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.214 -1.168 . . . . 4.18 109.523 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.0 153.9 2.83 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 5.67 108.884 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -54.7 150.49 35.84 Favored 'Trans proline' 0 C--N 1.324 -0.743 0 C-N-CA 121.096 1.197 . . . . 5.65 109.822 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.964 -1.464 . . . . 7.27 109.587 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 108.99 -0.744 . . . . 7.33 108.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 55.78 74.44 0.38 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 7.21 109.515 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.72 81.57 0.26 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.174 -0.954 . . . . 6.47 109.381 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.61 -2.06 3.09 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.939 1.093 . . . . 4.53 109.917 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.2 99.27 10.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 4.35 109.052 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -81.04 -138.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.388 -0.82 . . . . 2.48 109.538 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.411 ' H ' ' NE ' ' C' ' 333' ' ' ARG . . . -68.0 -179.26 15.94 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.553 -1.419 . . . . 0.98 109.553 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.97 131.11 50.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.306 -1.114 . . . . 1.7 109.787 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.77 151.2 19.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.262 -0.899 . . . . 0.61 109.135 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.72 -169.05 2.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.347 -0.845 . . . . 0.58 109.837 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.01 151.61 32.31 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.321 -0.992 . . . . 0.42 108.321 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 65.0 tp -143.53 135.62 26.78 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.279 -0.888 . . . . 0.36 109.895 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.47 128.03 34.36 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.371 -0.974 . . . . 1.37 108.371 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.1 mt -123.75 107.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 108.892 -0.781 . . . . 0.47 108.892 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.432 ' NE ' ' H ' ' C' ' 325' ' ' GLY . 2.3 tmt_? -75.52 142.8 42.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.53 -0.731 . . . . 2.1 109.845 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.5 133.3 7.95 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.878 -1.289 . . . . 0.42 109.878 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.71 -46.9 20.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.365 -1.079 . . . . 2.68 109.296 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -58.04 -44.15 87.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.858 . . . . 2.22 109.355 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.12 -43.33 98.72 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.36 -0.837 . . . . 2.77 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -54.41 -58.65 6.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.569 -0.707 . . . . 0.43 109.868 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.32 -40.06 61.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.421 -0.799 . . . . 1.66 109.745 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.223 -0.923 . . . . 0.44 110.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.43 -47.99 83.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.119 -0.988 . . . . 0.29 108.994 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.33 -43.04 61.63 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.377 -0.827 . . . . 2.44 109.682 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.85 -43.46 94.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -0.939 . . . . 1.74 109.939 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.57 -43.78 98.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.3 109.314 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.71 -51.37 69.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.229 -0.92 . . . . 1.22 109.455 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.97 -39.61 95.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.87 . . . . 1.72 109.803 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -52.36 65.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.325 -0.859 . . . . 0.27 109.948 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.29 109.486 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.59 -35.89 75.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.222 -0.924 . . . . 1.91 109.43 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.14 -49.28 74.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.255 -0.903 . . . . 0.41 109.351 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.54 78.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.388 -0.82 . . . . 1.56 108.974 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.29 -31.06 67.12 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.545 -0.722 . . . . 1.43 109.597 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.9 84.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.66 109.93 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.16 -8.98 59.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.261 -0.899 . . . . 1.18 109.46 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.68 -4.32 26.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 1.23 109.201 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.92 -2.43 90.66 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.706 -1.357 . . . . 1.54 109.706 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.06 100.55 12.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.178 -1.189 . . . . 4.18 109.31 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 358' ' ' GLU . 2.7 pt-20 -51.97 154.33 3.91 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.932 . . . . 5.71 109.1 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.48 153.19 36.21 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.12 1.214 . . . . 5.61 109.958 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.944 -1.475 . . . . 7.24 109.622 179.63 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 108.919 -0.771 . . . . 7.34 108.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 55.78 74.44 0.38 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 7.17 109.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.71 81.51 0.26 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 6.44 109.396 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.52 -2.11 3.06 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 120.92 1.08 . . . . 4.54 109.883 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.15 99.3 10.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.122 -0.986 . . . . 4.32 109.088 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -81.11 -138.98 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.483 -0.76 . . . . 2.47 109.543 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.43 ' H ' ' NE ' ' D' ' 333' ' ' ARG . . . -67.52 -179.3 13.75 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.599 -1.4 . . . . 0.95 109.599 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.05 131.15 50.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -1.11 . . . . 1.61 109.791 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -93.72 151.09 19.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.192 -0.942 . . . . 0.57 109.105 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -135.67 -169.08 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.327 -0.858 . . . . 0.53 109.8 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -150.98 151.52 32.21 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.371 -0.974 . . . . 0.38 108.371 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.41 135.72 27.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.36 109.847 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.72 128.02 34.4 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.367 -0.975 . . . . 1.36 108.367 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.954 -0.758 . . . . 0.49 108.954 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.435 ' NE ' ' H ' ' D' ' 325' ' ' GLY . 2.3 tmt_? -75.44 142.76 42.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.567 -0.708 . . . . 2.1 109.889 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.39 133.23 7.91 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -77.56 -46.95 20.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -1.126 . . . . 2.72 109.38 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.96 -44.27 86.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.375 -0.828 . . . . 2.21 109.314 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.06 -43.35 98.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.314 -0.866 . . . . 2.79 109.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.56 6.98 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.663 -0.648 . . . . 0.45 109.965 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.29 -40.06 61.31 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.359 -0.838 . . . . 1.68 109.778 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -51.26 66.03 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.285 -0.884 . . . . 0.43 109.983 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.44 -47.96 83.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.28 109.003 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.92 61.91 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.338 -0.851 . . . . 2.52 109.64 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 1.75 109.946 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.69 -43.76 98.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.155 -0.966 . . . . 0.31 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.65 -51.34 69.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.266 -0.896 . . . . 1.21 109.443 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.06 -39.54 95.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.69 109.827 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.97 -52.23 66.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -0.884 . . . . 0.27 109.919 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.76 -43.84 98.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.3 109.468 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.47 -36.02 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.93 109.376 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.18 -49.27 74.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.4 109.337 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.08 -48.5 78.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.345 -0.847 . . . . 1.59 108.984 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.26 -31.06 67.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.554 -0.716 . . . . 1.43 109.626 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.99 84.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.927 . . . . 0.65 109.902 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -82.13 -9.02 59.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.962 . . . . 1.19 109.519 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.56 -4.42 26.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.22 109.259 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.98 -2.39 90.67 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.645 -1.382 . . . . 1.53 109.645 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -86.03 100.48 12.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 4.21 109.305 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' B' ' 358' ' ' GLU . 2.6 pt-20 -51.96 154.32 3.89 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.261 -0.899 . . . . 5.68 109.065 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -56.53 153.28 36.06 Favored 'Trans proline' 0 C--N 1.324 -0.75 0 C-N-CA 121.046 1.164 . . . . 5.57 110.025 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.985 -1.453 . . . . 7.2 109.652 179.756 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.923 -0.769 . . . . 8.96 108.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 55.83 74.35 0.39 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.274 -0.891 . . . . 8.15 109.546 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.88 81.5 0.26 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.052 -1.03 . . . . 7.15 109.356 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.56 -2.08 3.07 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 120.963 1.109 . . . . 4.35 109.871 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.23 99.33 10.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.003 . . . . 4.63 109.055 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -81.0 -138.77 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.342 -0.849 . . . . 2.85 109.56 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.432 ' H ' ' NE ' ' A' ' 333' ' ' ARG . . . -67.94 -179.26 15.67 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.481 -1.448 . . . . 1.12 109.481 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.95 131.1 50.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.223 -1.163 . . . . 2.11 109.784 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -93.73 151.0 19.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.885 . . . . 0.64 109.185 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.6 -169.11 2.33 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.327 -0.858 . . . . 0.49 109.831 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.5 p -150.99 151.49 32.16 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.354 -0.98 . . . . 0.47 108.354 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 65.2 tp -143.43 135.72 27.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.216 -0.927 . . . . 0.42 109.838 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.74 127.96 34.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.37 -0.974 . . . . 1.81 108.37 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.62 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 108.885 -0.783 . . . . 0.42 108.885 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.411 ' NE ' ' H ' ' A' ' 325' ' ' GLY . 2.3 tmt_? -75.55 142.77 42.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.583 -0.698 . . . . 2.35 109.857 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.36 133.31 7.94 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.887 -1.285 . . . . 0.41 109.887 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.55 -47.03 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -1.085 . . . . 2.59 109.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.0 -44.08 87.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 2.54 109.364 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.24 -43.28 98.48 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.37 -0.831 . . . . 3.39 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.51 -58.51 7.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.66 -0.65 . . . . 0.47 109.897 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.44 -39.91 61.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 1.66 109.761 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.27 66.06 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.227 -0.921 . . . . 0.61 110.014 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.49 -47.92 83.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -0.965 . . . . 0.33 109.013 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.93 61.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.352 -0.842 . . . . 3.28 109.692 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.94 -43.38 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.261 -0.899 . . . . 1.78 109.901 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.65 -43.76 98.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.131 -0.981 . . . . 0.38 109.285 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.73 -51.27 70.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 1.2 109.448 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.02 -39.6 95.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.336 -0.853 . . . . 2.12 109.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -52.26 66.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.907 . . . . 0.26 109.952 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.83 -43.83 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.93 . . . . 0.4 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.43 -36.0 75.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.191 -0.943 . . . . 2.09 109.38 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -49.27 74.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -0.879 . . . . 0.75 109.351 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.438 -0.789 . . . . 2.19 108.925 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.24 -31.09 67.06 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.611 -0.68 . . . . 1.34 109.623 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.0 84.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.72 109.917 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -82.14 -8.97 59.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 1.8 109.499 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.56 -4.45 27.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.236 -0.915 . . . . 1.39 109.239 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.92 -2.37 90.66 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.721 -1.352 . . . . 1.66 109.721 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.02 100.48 12.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -1.174 . . . . 4.45 109.293 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -51.99 154.41 3.86 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 6.19 109.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.59 153.22 36.75 Favored 'Trans proline' 0 C--N 1.325 -0.679 0 C-N-CA 121.077 1.185 . . . . 5.58 110.075 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 118.021 -1.433 . . . . 6.9 109.64 179.77 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.935 -0.765 . . . . 7.36 108.935 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 55.93 74.31 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 7.15 109.511 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.79 81.57 0.26 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 6.5 109.349 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.6 -2.1 3.12 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 120.989 1.126 . . . . 4.5 109.837 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.19 99.32 10.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.072 -1.018 . . . . 4.32 109.013 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.06 -138.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 2.46 109.522 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.435 ' H ' ' NE ' ' B' ' 333' ' ' ARG . . . -67.89 -179.37 15.67 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.547 -1.421 . . . . 0.97 109.547 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.93 131.14 50.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -1.146 . . . . 1.67 109.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.66 151.01 19.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.246 -0.909 . . . . 0.61 109.25 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.65 -169.06 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.406 -0.809 . . . . 0.56 109.836 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.1 151.42 31.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.433 -0.951 . . . . 0.43 108.433 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 65.3 tp -143.34 135.68 27.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.234 -0.917 . . . . 0.35 109.883 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.75 128.11 34.45 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.325 -0.991 . . . . 1.37 108.325 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -123.78 107.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 N-CA-C 108.89 -0.781 . . . . 0.48 108.89 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.43 ' NE ' ' H ' ' B' ' 325' ' ' GLY . 2.3 tmt_? -75.42 142.86 42.95 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.631 -0.668 . . . . 2.08 109.876 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.34 133.26 7.92 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.6 -46.98 20.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.388 -1.066 . . . . 2.64 109.393 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.04 -44.13 87.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 2.22 109.368 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.15 -43.36 98.53 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.38 -0.825 . . . . 2.74 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.58 6.89 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.587 -0.696 . . . . 0.43 109.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.34 -40.01 61.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.374 -0.829 . . . . 1.69 109.793 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.26 66.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.228 -0.92 . . . . 0.43 110.026 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.41 -48.02 83.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.27 109.008 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.37 -42.97 61.73 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.308 -0.87 . . . . 2.45 109.742 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.51 94.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.92 . . . . 1.75 109.89 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.63 -43.81 98.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.31 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -57.55 -51.52 69.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.295 -0.878 . . . . 1.22 109.463 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.98 -39.53 94.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 1.73 109.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.85 -52.3 66.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 0.28 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.84 -43.53 98.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.176 -0.953 . . . . 0.31 109.469 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.75 -35.87 75.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.91 109.407 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.3 -49.23 74.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -0.868 . . . . 0.43 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.07 -48.57 78.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.444 -0.785 . . . . 1.57 108.951 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.25 -31.15 67.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.543 -0.723 . . . . 1.44 109.6 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.0 84.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.255 -0.903 . . . . 0.64 109.939 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.13 -8.97 59.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.096 -1.003 . . . . 1.21 109.525 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -4.4 27.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 1.22 109.175 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.9 -2.44 90.66 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -86.0 100.56 12.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.127 -1.219 . . . . 4.18 109.269 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -52.02 154.34 3.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 5.67 109.05 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.56 153.18 36.72 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.095 1.197 . . . . 5.65 110.003 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.955 -1.47 . . . . 7.27 109.646 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.438 -0.579 . . . . 7.33 109.438 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.74 88.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.245 -0.909 . . . . 7.21 109.445 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.77 66.81 1.42 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 6.47 109.299 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.14 131.83 29.85 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 121.369 1.379 . . . . 4.53 110.034 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.4 mt -80.72 66.71 6.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.945 . . . . 4.35 109.246 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.28 133.82 35.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.694 -0.628 . . . . 2.48 110.216 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.76 -178.5 26.45 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.837 -1.305 . . . . 0.98 109.837 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 21.1 mp0 -61.15 145.37 51.28 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -1.084 . . . . 1.7 109.541 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 30.4 m-85 -98.0 151.83 19.91 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -0.891 . . . . 0.61 110.418 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.41 135.77 32.4 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.374 -0.973 . . . . 0.58 108.374 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 71.1 p -96.84 160.71 14.21 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.249 -0.907 . . . . 0.42 109.715 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -148.2 134.56 19.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.36 109.81 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.59 129.64 34.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 1.37 109.543 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.96 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 N-CA-C 109.044 -0.725 . . . . 0.47 109.044 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.8 154.9 35.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 2.1 110.19 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 139.26 2.23 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.411 -1.076 . . . . 0.42 110.411 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -82.82 -47.56 11.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.353 -1.087 . . . . 2.68 109.342 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.54 -37.5 73.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 2.22 108.831 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.86 -38.91 90.03 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.394 -0.816 . . . . 2.77 109.23 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.54 -52.2 64.5 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.566 -0.709 . . . . 0.43 109.878 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.35 -39.13 60.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 1.66 109.956 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.97 -53.37 55.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 0.44 110.054 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.84 -45.1 95.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.995 . . . . 0.29 108.94 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.23 -41.68 60.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 2.44 109.213 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.92 63.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 1.74 109.503 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -38.88 86.03 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.161 -0.962 . . . . 0.3 108.563 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -55.8 30.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.426 -0.796 . . . . 1.22 109.361 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.14 -34.07 76.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 1.72 109.497 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.77 -55.34 34.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -0.863 . . . . 0.27 109.756 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.73 -44.77 96.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 0.29 109.64 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.09 -34.81 73.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.906 . . . . 1.91 109.231 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.57 -50.74 66.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.355 -0.841 . . . . 0.41 109.667 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.08 99.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 1.56 109.061 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.51 -33.78 66.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.488 -0.758 . . . . 1.43 109.406 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.05 -47.82 67.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.265 -0.897 . . . . 0.66 109.672 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -80.91 -1.14 42.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 1.18 109.643 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -84.55 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 1.23 109.303 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.12 76.53 0.89 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.406 -1.477 . . . . 1.54 109.406 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.85 176.39 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.304 -1.115 . . . . 4.18 109.534 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 360' ' ' GLY . 40.5 mm-40 -50.3 152.09 3.31 Favored Pre-proline 0 N--CA 1.488 1.432 0 O-C-N 121.427 -0.796 . . . . 5.71 109.182 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.47 3.33 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 121.237 1.292 . . . . 5.61 110.259 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.926 -1.486 . . . . 7.24 109.593 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.459 -0.571 . . . . 7.34 109.459 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.71 88.63 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -0.897 . . . . 7.17 109.508 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.8 66.79 1.42 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.218 -0.926 . . . . 6.44 109.31 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.17 131.86 29.89 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 121.36 1.373 . . . . 4.54 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.75 66.59 6.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.942 . . . . 4.32 109.284 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.99 135.08 35.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.63 -0.669 . . . . 2.47 110.054 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -72.45 -178.64 33.12 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.807 -1.317 . . . . 0.95 109.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' B' ' 326' ' ' GLU . 21.2 mp0 -60.88 145.26 50.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.317 -1.108 . . . . 1.61 109.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.4 m-85 -97.98 151.6 20.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.221 -0.924 . . . . 0.57 110.438 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.15 135.82 32.86 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.29 -1.004 . . . . 0.53 108.29 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.9 p -96.81 160.82 14.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.262 -0.899 . . . . 0.38 109.74 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -148.24 134.44 19.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.355 -0.84 . . . . 0.36 109.843 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.45 129.51 34.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 1.36 109.593 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.3 mt -124.06 115.88 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.547 -0.721 . . . . 0.49 109.108 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -75.67 155.13 36.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.365 -0.834 . . . . 2.1 110.206 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.14 139.2 2.1 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.429 -1.068 . . . . 0.44 110.429 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -82.7 -47.76 11.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -1.08 . . . . 2.72 109.264 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.5 -37.49 73.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.99 . . . . 2.21 108.814 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -61.79 -39.0 90.16 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.482 -0.761 . . . . 2.79 109.257 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.46 -52.14 64.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.482 -0.761 . . . . 0.45 110.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.37 -39.11 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 1.68 110.022 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -63.0 -53.33 55.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.201 -0.937 . . . . 0.43 110.107 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.85 -45.06 96.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.28 108.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.2 -41.81 60.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 2.52 109.214 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.54 -52.82 64.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 1.75 109.61 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.55 -38.89 85.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.31 108.607 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.63 -55.59 32.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.434 -0.791 . . . . 1.21 109.352 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.25 -33.96 76.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.393 -0.817 . . . . 1.69 109.536 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.83 -55.49 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -0.888 . . . . 0.27 109.831 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.59 -44.92 96.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.255 -0.903 . . . . 0.3 109.566 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.125 -0.985 . . . . 1.93 109.393 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.62 -50.63 66.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.279 -0.888 . . . . 0.4 109.646 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.12 -43.14 99.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 1.59 109.013 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -56.43 -33.8 66.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.591 -0.693 . . . . 1.43 109.452 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.04 -47.9 67.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.65 109.6 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.83 -1.16 42.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 1.19 109.656 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -84.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.092 -1.005 . . . . 1.22 109.29 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.06 76.54 0.88 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.453 -1.459 . . . . 1.53 109.453 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.82 176.43 8.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.303 -1.116 . . . . 4.21 109.473 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 360' ' ' GLY . 40.5 mm-40 -50.35 152.16 3.32 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.304 -0.872 . . . . 5.68 109.051 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.61 3.37 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.215 1.277 . . . . 5.57 110.183 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.906 -1.497 . . . . 7.2 109.629 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.469 -0.567 . . . . 8.96 109.469 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.77 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 8.15 109.49 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.85 66.79 1.41 Allowed Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.188 -0.945 . . . . 7.15 109.223 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.14 131.92 30.17 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.389 1.392 . . . . 4.35 110.033 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.87 66.7 6.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 4.63 109.303 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.16 134.14 35.58 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.613 -0.679 . . . . 2.85 110.195 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.29 -178.71 29.06 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.806 -1.317 . . . . 1.12 109.806 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.596 ' H ' ' CD ' ' C' ' 326' ' ' GLU . 21.4 mp0 -60.94 145.26 51.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -1.093 . . . . 2.11 109.529 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 31.0 m-85 -98.08 151.72 20.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.268 -0.895 . . . . 0.64 110.397 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.26 135.9 32.77 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.373 -0.973 . . . . 0.49 108.373 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -96.94 160.77 14.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.333 -0.854 . . . . 0.47 109.737 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.0 tp -148.22 134.56 19.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.859 . . . . 0.42 109.824 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.48 129.54 34.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.475 -0.765 . . . . 1.81 109.607 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.12 116.0 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.536 -0.727 . . . . 0.42 109.059 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.82 155.07 35.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.414 -0.804 . . . . 2.35 110.132 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 139.23 2.18 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.371 -1.092 . . . . 0.41 110.371 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.8 -47.66 11.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -1.076 . . . . 2.59 109.247 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.44 -37.55 73.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 2.54 108.837 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.76 -39.07 90.33 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.387 -0.821 . . . . 3.39 109.27 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -55.48 -52.18 64.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -0.779 . . . . 0.47 109.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.42 -39.08 60.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.333 -0.854 . . . . 1.66 109.977 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.02 -53.36 55.11 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.191 -0.943 . . . . 0.61 110.065 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.84 -45.1 95.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.33 108.877 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.21 -41.83 60.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.845 . . . . 3.28 109.189 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -58.51 -52.81 64.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 1.78 109.595 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.52 -38.95 86.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.38 108.606 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.59 -55.72 31.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.364 -0.835 . . . . 1.2 109.34 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.11 -34.04 76.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 2.12 109.521 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.89 -55.4 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.318 -0.864 . . . . 0.26 109.763 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.63 -44.95 96.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.28 -0.888 . . . . 0.4 109.626 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.85 -34.87 73.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 2.09 109.341 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.66 -50.61 66.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.356 -0.84 . . . . 0.75 109.644 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.14 99.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.379 -0.825 . . . . 2.19 109.013 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -56.48 -33.8 66.31 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.417 -0.802 . . . . 1.34 109.349 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.86 67.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.285 -0.885 . . . . 0.72 109.608 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -80.97 -1.04 42.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 1.8 109.666 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.66 -84.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 1.39 109.249 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.06 76.56 0.87 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.462 -1.455 . . . . 1.66 109.462 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.86 176.4 8.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.244 -1.151 . . . . 4.45 109.541 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' C' ' 360' ' ' GLY . 40.2 mm-40 -50.39 152.06 3.42 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.319 -0.863 . . . . 6.19 109.087 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.31 3.24 0.27 Allowed 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.16 1.24 . . . . 5.58 110.315 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.993 -1.448 . . . . 6.9 109.634 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.271 0.558 . . . . 7.36 109.499 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttp 54.56 88.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 7.15 109.517 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.78 66.85 1.41 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.191 -0.943 . . . . 6.5 109.268 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.18 131.83 29.79 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 121.385 1.39 . . . . 4.5 110.018 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.81 66.83 6.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.943 . . . . 4.32 109.215 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.3 134.09 35.53 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.683 -0.635 . . . . 2.46 110.134 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.15 -178.56 28.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.843 -1.303 . . . . 0.97 109.843 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.604 ' H ' ' CD ' ' D' ' 326' ' ' GLU . 21.1 mp0 -61.19 145.3 51.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 1.67 109.542 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 30.1 m-85 -97.94 151.94 19.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.221 -0.924 . . . . 0.61 110.413 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.55 135.82 32.23 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.313 -0.995 . . . . 0.56 108.313 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 70.5 p -96.84 160.77 14.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.287 -0.883 . . . . 0.43 109.725 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 35.7 tp -148.26 134.54 19.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.854 . . . . 0.35 109.821 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.5 129.67 34.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.821 . . . . 1.37 109.542 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.98 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.519 -0.738 . . . . 0.48 109.1 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.73 154.96 36.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.808 . . . . 2.08 110.171 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.3 139.18 2.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.383 -1.087 . . . . 0.4 110.383 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.68 -47.66 11.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -1.152 . . . . 2.64 109.252 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -57.5 -37.65 73.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.051 -1.03 . . . . 2.22 108.799 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.73 -38.99 90.0 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.503 -0.748 . . . . 2.74 109.213 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.52 -52.09 64.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.586 -0.696 . . . . 0.43 109.927 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.4 -39.18 60.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 1.69 109.932 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.01 -53.29 56.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.078 -1.013 . . . . 0.43 110.135 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.82 -45.07 95.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.27 108.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.24 -41.75 60.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 2.45 109.163 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.81 64.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.75 109.598 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.6 -38.92 86.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.202 -0.936 . . . . 0.31 108.579 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.56 -55.64 32.18 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.422 -0.799 . . . . 1.22 109.355 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.2 -34.16 77.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 1.73 109.533 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -55.33 34.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.86 . . . . 0.28 109.782 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.68 -44.79 96.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.833 . . . . 0.31 109.672 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.14 -34.8 74.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.91 109.265 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.6 -50.67 66.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -0.882 . . . . 0.43 109.686 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.13 99.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 1.57 108.999 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.44 -33.87 66.27 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.432 -0.792 . . . . 1.44 109.423 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.82 67.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.64 109.634 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -80.9 -1.14 42.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.297 -0.877 . . . . 1.21 109.679 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 1.22 109.282 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.95 76.57 0.86 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.42 -1.472 . . . . 1.5 109.42 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.93 176.45 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.106 . . . . 4.18 109.501 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' D' ' 360' ' ' GLY . 40.5 mm-40 -50.33 152.15 3.3 Favored Pre-proline 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 5.67 109.095 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.56 3.39 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 121.15 1.233 . . . . 5.65 110.239 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.937 -1.479 . . . . 7.27 109.64 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.279 -0.637 . . . . 7.33 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 319' ' ' LYS . 77.3 mttt 57.24 109.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.252 -0.905 . . . . 7.21 109.588 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.71 148.43 65.36 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.112 -0.993 . . . . 6.47 108.798 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.76 -2.88 4.85 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 120.783 0.989 . . . . 4.53 110.354 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.48 89.52 7.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.954 -1.091 . . . . 4.35 109.94 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -84.99 -164.07 0.93 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 2.48 109.199 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.26 53.52 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.622 -1.391 . . . . 0.98 109.622 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.39 136.2 57.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -1.144 . . . . 1.7 109.277 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.91 145.82 26.07 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.384 -0.822 . . . . 0.61 110.036 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -140.43 136.58 33.19 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.443 -0.947 . . . . 0.58 108.443 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.67 162.42 13.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.37 -0.831 . . . . 0.42 109.181 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 41.0 tp -149.4 132.32 16.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 0.36 109.941 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.41 126.39 33.2 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.614 -0.884 . . . . 1.37 108.614 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.83 111.0 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 O-C-N 121.587 -0.696 . . . . 0.47 109.302 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.81 150.25 37.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.368 -0.832 . . . . 2.1 109.712 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.74 138.58 8.15 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.973 -1.251 . . . . 0.42 109.973 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -84.72 -51.18 6.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -1.07 . . . . 2.68 109.499 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.63 -42.28 83.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 2.22 109.33 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.56 -44.72 96.52 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.332 -0.855 . . . . 2.77 109.339 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.9 -55.1 34.24 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.673 -0.642 . . . . 0.43 109.772 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -52.39 -38.2 58.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.66 109.936 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.23 70.49 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 0.44 110.615 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.34 -43.09 99.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.29 109.17 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.69 -44.46 63.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 2.44 109.386 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.79 -45.85 92.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.306 -0.871 . . . . 1.74 109.725 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.29 -0.881 . . . . 0.3 109.224 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.44 -50.83 72.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.203 -0.935 . . . . 1.22 109.322 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.2 -36.68 82.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 1.72 109.355 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -51.35 70.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.304 -0.872 . . . . 0.27 109.626 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 46.9 mt -62.34 -45.25 94.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 0.29 109.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.58 -35.01 73.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 1.91 109.286 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -63.75 -50.32 69.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.418 -0.801 . . . . 0.41 109.182 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.22 -40.07 88.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 1.56 109.034 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 348' ' ' LEU . 1.8 m-20 -56.48 -36.18 68.8 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.642 -0.661 . . . . 1.43 109.516 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.908 . . . . 0.66 109.658 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.421 ' NE2' HD21 ' B' ' 350' ' ' LEU . 76.1 mt-30 -80.89 -1.18 42.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.18 109.369 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.79 -46.25 66.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 1.23 109.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.21 2.21 85.09 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.702 -1.359 . . . . 1.54 109.702 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.35 145.85 27.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -1.12 . . . . 4.18 109.553 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -46.87 109.67 1.1 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 5.71 109.371 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.25 162.39 20.24 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 120.645 0.897 . . . . 5.61 109.947 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 118.048 -1.418 . . . . 7.24 109.595 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.374 -0.602 . . . . 7.34 109.374 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 319' ' ' LYS . 77.3 mttt 57.15 109.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.323 -0.86 . . . . 7.17 109.582 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.82 148.48 65.09 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.207 -0.933 . . . . 6.44 108.765 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.81 -2.83 4.86 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 120.861 1.04 . . . . 4.54 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.49 89.44 7.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.931 -1.106 . . . . 4.32 110.026 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -84.95 -163.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.393 -0.817 . . . . 2.47 109.164 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.95 157.17 53.51 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.607 -1.397 . . . . 0.95 109.607 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.18 136.21 57.88 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.226 -1.161 . . . . 1.61 109.402 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.9 145.59 26.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.273 -0.892 . . . . 0.57 110.157 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.29 136.44 33.28 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.452 -0.944 . . . . 0.53 108.452 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.2 p -97.53 162.45 13.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.374 -0.829 . . . . 0.38 109.2 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 41.2 tp -149.45 132.35 16.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.258 -0.901 . . . . 0.36 109.906 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.36 126.35 33.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.612 -0.885 . . . . 1.36 108.612 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.77 111.06 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.574 -0.704 . . . . 0.49 109.35 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.89 150.27 37.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.1 109.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.61 8.12 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.032 -1.227 . . . . 0.44 110.032 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -84.79 -51.15 6.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.404 -1.056 . . . . 2.72 109.537 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.54 -42.45 82.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 2.21 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.45 -44.76 96.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.381 -0.825 . . . . 2.79 109.343 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -54.98 -55.07 34.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.579 -0.7 . . . . 0.45 109.759 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -52.37 -38.18 58.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 1.68 109.975 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.44 -50.41 69.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.263 -0.898 . . . . 0.43 110.525 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.22 -43.08 99.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.28 109.213 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.73 -44.43 63.26 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.126 -0.984 . . . . 2.52 109.335 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.86 -45.77 93.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.201 -0.937 . . . . 1.75 109.73 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.174 -0.954 . . . . 0.31 109.219 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.43 -50.94 71.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.21 109.309 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.17 -36.62 82.41 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.287 -0.883 . . . . 1.69 109.398 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.68 -51.32 70.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.27 109.583 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.27 -45.03 95.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.3 109.35 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.9 -34.92 73.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.316 -0.865 . . . . 1.93 109.243 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -63.78 -50.19 69.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.414 -0.804 . . . . 0.4 109.192 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.32 -40.17 89.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 1.59 108.942 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.52 -36.11 68.83 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.649 -0.657 . . . . 1.43 109.514 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.25 83.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 0.65 109.709 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.503 ' NE2' HD21 ' A' ' 350' ' ' LEU . 76.0 mt-30 -80.86 -1.25 42.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -0.948 . . . . 1.19 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.23 66.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.22 109.528 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 2.31 85.01 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.32 145.83 27.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -1.188 . . . . 4.21 109.512 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -46.86 109.72 1.11 Allowed Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.308 -0.87 . . . . 5.68 109.317 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.31 162.4 20.35 Favored 'Trans proline' 0 C--O 1.215 -0.667 0 C-N-CA 120.598 0.865 . . . . 5.57 109.929 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 CA-C-O 117.983 -1.454 . . . . 7.2 109.614 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.334 -0.617 . . . . 8.96 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' C' ' 319' ' ' LYS . 77.3 mttt 57.26 109.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 8.15 109.581 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -80.86 148.5 65.0 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.166 -0.959 . . . . 7.15 108.769 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.86 -2.84 4.91 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.844 1.03 . . . . 4.35 110.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.46 89.44 7.41 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.985 -1.072 . . . . 4.63 109.976 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -84.98 -163.99 0.92 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.398 -0.814 . . . . 2.85 109.156 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.74 157.21 53.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.606 -1.397 . . . . 1.12 109.606 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.24 136.25 57.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -1.184 . . . . 2.11 109.358 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.95 145.69 26.22 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.221 -0.924 . . . . 0.64 110.145 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.28 136.56 33.41 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.427 -0.953 . . . . 0.49 108.427 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -97.55 162.51 13.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.376 -0.828 . . . . 0.47 109.294 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.5 132.26 15.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.42 110.014 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.33 126.29 33.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.603 -0.888 . . . . 1.81 108.603 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.4 mt -123.8 111.02 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.499 -0.751 . . . . 0.42 109.294 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.75 150.27 37.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.369 -0.832 . . . . 2.35 109.632 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.5 8.06 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.992 -1.243 . . . . 0.41 109.992 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.66 -51.17 7.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -1.061 . . . . 2.59 109.525 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.59 -42.33 82.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 2.54 109.349 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.62 -44.64 96.62 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 3.39 109.303 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -55.03 35.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.604 -0.685 . . . . 0.47 109.685 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.43 -38.26 58.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 1.66 109.968 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.39 -50.26 70.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.61 110.596 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.27 -43.13 99.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 0.33 109.208 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.63 -44.55 62.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 3.28 109.407 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.78 -45.83 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.315 -0.865 . . . . 1.78 109.73 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.53 -43.42 98.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.21 -0.931 . . . . 0.38 109.232 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -58.54 -50.9 72.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 1.2 109.284 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.02 -36.76 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 2.12 109.417 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -51.32 70.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.26 109.552 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 46.5 mt -62.34 -45.04 95.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.4 109.385 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.88 -34.94 73.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 2.09 109.226 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -63.68 -50.19 70.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.331 -0.855 . . . . 0.75 109.255 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.34 -40.18 89.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 2.19 108.996 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' C' ' 348' ' ' LEU . 1.8 m-20 -56.51 -36.12 68.82 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.615 -0.678 . . . . 1.34 109.427 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.14 83.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.877 . . . . 0.72 109.66 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.507 ' NE2' HD21 ' D' ' 350' ' ' LEU . 76.1 mt-30 -80.89 -1.25 42.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 1.8 109.318 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.29 66.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 1.39 109.491 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.3 2.35 84.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.69 -1.364 . . . . 1.66 109.69 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.34 145.87 27.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.244 -1.151 . . . . 4.45 109.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.97 109.79 1.13 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 6.19 109.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -61.31 162.46 20.17 Favored 'Trans proline' 0 C--O 1.215 -0.641 0 C-N-CA 120.584 0.856 . . . . 5.58 109.955 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.994 -1.448 . . . . 6.9 109.602 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.294 -0.632 . . . . 7.36 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' D' ' 319' ' ' LYS . 77.3 mttt 57.24 109.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 7.15 109.605 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.76 148.45 65.23 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 6.5 108.78 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.8 -2.9 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 120.839 1.026 . . . . 4.5 110.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.43 89.51 7.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.952 -1.092 . . . . 4.32 110.007 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -85.05 -163.92 0.91 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -0.809 . . . . 2.46 109.217 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.6 157.19 53.52 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.673 -1.371 . . . . 0.97 109.673 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.27 136.26 57.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -1.141 . . . . 1.67 109.413 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -97.93 145.6 26.3 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.218 -0.926 . . . . 0.61 110.125 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.3 136.36 33.17 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.526 -0.916 . . . . 0.56 108.526 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.56 162.44 13.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.368 -0.833 . . . . 0.43 109.195 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.38 132.33 16.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.165 -0.959 . . . . 0.35 109.941 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -84.33 126.33 33.11 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.61 -0.885 . . . . 1.37 108.61 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.82 111.05 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.6 -0.688 . . . . 0.48 109.385 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.75 150.18 37.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.482 -0.761 . . . . 2.08 109.732 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.72 138.57 8.14 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.996 -1.242 . . . . 0.4 109.996 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.75 -51.13 7.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -1.073 . . . . 2.64 109.518 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.51 -42.53 82.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.359 -0.838 . . . . 2.22 109.362 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.39 -44.7 96.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.296 -0.878 . . . . 2.74 109.308 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.12 -54.99 36.16 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.585 -0.697 . . . . 0.43 109.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.69 110.025 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.35 70.02 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.43 110.506 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.29 -43.02 99.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.27 109.212 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.71 -44.49 63.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.145 -0.972 . . . . 2.45 109.387 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.84 -45.83 92.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.75 109.689 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.44 -43.56 98.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.051 -1.031 . . . . 0.31 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -58.44 -50.97 71.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 1.22 109.335 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -36.68 82.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.835 . . . . 1.73 109.472 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.34 70.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.352 -0.842 . . . . 0.28 109.62 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.9 mt -62.3 -45.17 94.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.31 109.334 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.74 -34.93 73.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 1.91 109.252 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -63.79 -50.3 69.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.371 -0.831 . . . . 0.43 109.195 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.29 -40.01 88.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 1.57 109.048 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.61 -36.07 69.0 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.69 -0.632 . . . . 1.44 109.423 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.1 83.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.64 109.662 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.434 ' NE2' HD21 ' C' ' 350' ' ' LEU . 76.2 mt-30 -80.93 -1.19 42.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 1.21 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.23 66.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.285 -0.884 . . . . 1.22 109.519 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 2.32 84.98 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.38 145.8 27.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.304 -1.115 . . . . 4.18 109.573 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.87 109.7 1.1 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 5.67 109.38 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.31 162.51 20.01 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 109.946 -0.828 . . . . 5.65 109.946 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 CA-C-O 117.983 -1.454 . . . . 7.27 109.59 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 49.8 mttp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.324 0.583 . . . . 7.33 109.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 321' ' ' LYS . 82.0 tttt 55.56 76.12 0.29 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 7.21 109.427 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 320' ' ' LYS . 11.9 mtpp 61.07 148.44 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.542 -0.724 . . . . 6.47 109.492 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.52 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 121.001 1.134 . . . . 4.53 109.713 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 50.3 mt -80.45 118.16 21.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.339 -0.851 . . . . 4.35 109.309 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.02 -110.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.31 -0.869 . . . . 2.48 109.982 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.01 157.56 53.42 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.973 -1.251 . . . . 0.98 109.973 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -58.96 137.04 58.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.46 -1.023 . . . . 1.7 109.439 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.49 147.79 23.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.301 -0.874 . . . . 0.61 109.915 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.56 -173.26 3.3 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.747 -0.834 . . . . 0.58 108.747 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -150.58 149.92 30.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.171 -0.956 . . . . 0.42 108.637 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.9 tp -142.09 133.28 26.23 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.295 -0.878 . . . . 0.36 109.673 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.44 128.19 34.64 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.962 -0.755 . . . . 1.37 108.962 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.86 114.76 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.5 -0.75 . . . . 0.47 109.269 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -75.38 147.82 39.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.341 -0.849 . . . . 2.1 109.835 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.75 5.36 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.211 -1.155 . . . . 0.42 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.34 -44.38 14.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -1.084 . . . . 2.68 109.223 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.43 -46.7 83.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.866 . . . . 2.22 109.075 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -62.88 -43.05 99.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 109.148 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.81 -55.6 28.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.621 -0.674 . . . . 0.43 109.751 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.75 -37.54 51.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 1.66 109.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -62.92 -52.44 63.05 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.241 -0.912 . . . . 0.44 110.299 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.23 -42.75 99.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.29 109.109 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.95 -42.49 62.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 2.44 109.318 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.95 -51.96 67.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 1.74 109.782 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.35 -38.17 82.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.114 -0.991 . . . . 0.3 108.837 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.32 -54.87 41.81 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.7 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -61.88 -34.14 75.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.72 109.798 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.25 -50.71 72.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.27 109.737 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.86 -42.46 99.08 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.29 109.368 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.38 -40.81 83.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.91 108.888 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.53 -41.92 98.46 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.775 -0.824 . . . . 0.41 108.775 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.252 -0.905 . . . . 1.56 108.712 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.31 66.48 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.197 0.522 . . . . 1.43 109.948 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.52 82.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.983 . . . . 0.66 109.746 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -81.57 1.26 34.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.87 . . . . 1.18 109.832 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.63 -81.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.008 . . . . 1.23 109.594 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.35 83.97 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.622 -1.391 . . . . 1.54 109.622 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.05 165.38 17.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.317 -1.108 . . . . 4.18 109.631 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.11 153.17 2.49 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.847 . . . . 5.71 108.936 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.46 129.27 34.22 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.04 1.16 . . . . 5.61 109.914 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 118.019 -1.434 . . . . 7.24 109.57 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 49.8 mttp . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.329 0.585 . . . . 7.34 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 321' ' ' LYS . 81.9 tttt 55.62 76.15 0.29 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.307 -0.87 . . . . 7.17 109.463 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 320' ' ' LYS . 11.9 mtpp 60.92 148.46 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.58 -0.7 . . . . 6.44 109.497 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.49 -81.03 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 120.958 1.106 . . . . 4.54 109.763 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.47 118.12 21.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.366 -0.834 . . . . 4.32 109.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -80.02 -110.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.38 -0.825 . . . . 2.47 109.989 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 157.5 53.35 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.008 -1.237 . . . . 0.95 110.008 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.0 136.98 58.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -1.128 . . . . 1.61 109.463 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -96.45 147.72 23.54 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.343 -0.848 . . . . 0.57 109.941 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -135.5 -173.21 3.28 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.761 -0.829 . . . . 0.53 108.761 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -150.66 149.77 30.26 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.062 -1.024 . . . . 0.38 108.645 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -141.95 133.31 26.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.358 -0.839 . . . . 0.36 109.721 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.38 128.2 34.63 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.962 -0.755 . . . . 1.36 108.962 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.89 114.71 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.53 -0.731 . . . . 0.49 109.294 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -75.22 147.82 40.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 2.1 109.959 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.92 136.73 5.31 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.248 -1.141 . . . . 0.44 110.248 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.33 -44.33 15.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.479 -1.012 . . . . 2.72 109.208 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -57.54 -46.83 83.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.265 -0.897 . . . . 2.21 109.043 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.56 -43.16 99.51 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 2.79 109.206 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -54.81 -55.68 27.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.498 -0.751 . . . . 0.45 109.719 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.77 -37.44 51.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.68 109.901 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.41 63.12 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.202 -0.936 . . . . 0.43 110.354 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.21 -42.78 99.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.117 -0.99 . . . . 0.28 109.053 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.99 -42.49 63.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.52 109.353 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.87 -51.94 67.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.915 . . . . 1.75 109.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.25 -38.29 83.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.083 -1.01 . . . . 0.31 108.858 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.35 -54.85 41.98 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 1.21 109.664 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -34.09 75.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.271 -0.893 . . . . 1.69 109.841 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -50.69 72.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.27 109.781 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.89 -42.45 99.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.16 -0.963 . . . . 0.3 109.389 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -58.42 -40.77 83.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.141 -0.974 . . . . 1.93 108.817 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.4 108.819 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.47 -44.26 97.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 1.59 108.654 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.22 -32.37 66.44 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.78 -0.575 . . . . 1.43 110.021 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.55 83.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.65 109.797 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -81.52 1.16 34.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 1.19 109.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.62 -81.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.079 -1.013 . . . . 1.22 109.608 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.25 83.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.6 -1.4 . . . . 1.53 109.6 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.09 165.32 17.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -1.133 . . . . 4.21 109.664 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.06 153.17 2.46 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.413 -0.804 . . . . 5.68 108.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.47 129.29 34.34 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 121.083 1.189 . . . . 5.57 109.93 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.557 -1.417 . . . . 7.2 109.557 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 49.9 mttp . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.378 0.609 . . . . 8.96 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' C' ' 321' ' ' LYS . 81.9 tttt 55.62 76.13 0.29 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.261 -0.9 . . . . 8.15 109.414 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' C' ' 320' ' ' LYS . 11.9 mtpp 60.98 148.45 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.529 -0.732 . . . . 7.15 109.454 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.53 -81.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 120.974 1.116 . . . . 4.35 109.753 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.46 118.08 21.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 4.63 109.395 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -80.03 -110.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.358 -0.839 . . . . 2.85 109.939 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 157.56 53.42 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.994 -1.242 . . . . 1.12 109.994 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.01 136.98 58.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -1.09 . . . . 2.11 109.449 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.47 147.86 23.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.88 . . . . 0.64 109.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -135.6 -173.21 3.29 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.755 -0.831 . . . . 0.49 108.755 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.3 p -150.6 149.96 30.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.093 -1.005 . . . . 0.47 108.577 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.1 133.34 26.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.372 -0.83 . . . . 0.42 109.666 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.42 128.24 34.65 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.96 -0.756 . . . . 1.81 108.96 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.87 114.74 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.442 -0.786 . . . . 0.42 109.247 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.37 147.76 39.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.81 . . . . 2.35 109.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.78 5.37 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.225 -1.15 . . . . 0.41 110.225 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -83.33 -44.36 14.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.442 -1.034 . . . . 2.59 109.225 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.54 -46.67 83.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.308 -0.87 . . . . 2.54 109.04 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.83 -43.03 99.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.286 -0.884 . . . . 3.39 109.149 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -54.89 -55.66 28.09 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.643 -0.661 . . . . 0.47 109.764 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.68 -37.46 50.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.332 -0.855 . . . . 1.66 109.932 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.45 62.98 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.247 -0.908 . . . . 0.61 110.302 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -42.7 99.07 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.115 -0.991 . . . . 0.33 109.089 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -51.99 -42.55 63.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 3.28 109.297 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.91 -51.9 67.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.78 109.839 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.26 -38.3 83.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.38 108.871 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.34 -54.84 42.17 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.468 -0.77 . . . . 1.2 109.658 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -61.87 -34.09 75.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 2.12 109.783 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -50.69 72.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.26 109.721 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.87 -42.41 99.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.133 -0.98 . . . . 0.4 109.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.09 108.758 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.76 -41.66 97.96 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.775 -0.824 . . . . 0.75 108.775 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.6 -44.2 97.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.19 108.657 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -32.33 66.35 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.191 0.52 . . . . 1.34 110.049 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.72 109.81 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -81.55 1.22 34.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.8 109.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.66 -81.7 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 1.39 109.577 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.31 83.92 0.1 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.63 -1.388 . . . . 1.66 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' C' ' 357' ' ' LYS . 19.9 pttm -84.99 165.34 17.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -1.151 . . . . 4.45 109.691 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.09 153.17 2.48 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.275 -0.89 . . . . 6.19 108.845 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.52 129.23 34.0 Favored 'Trans proline' 0 C--N 1.322 -0.837 0 C-N-CA 121.05 1.167 . . . . 5.58 109.889 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.071 -1.405 . . . . 6.9 109.604 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 49.7 mttp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.37 0.605 . . . . 7.36 109.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 321' ' ' LYS . 81.9 tttt 55.67 76.06 0.29 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.234 -0.916 . . . . 7.15 109.445 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 320' ' ' LYS . 12.0 mtpp 61.01 148.54 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.641 -0.662 . . . . 6.5 109.449 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.57 -80.98 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 121.027 1.151 . . . . 4.5 109.757 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 50.5 mt -80.49 118.12 21.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.393 -0.817 . . . . 4.32 109.308 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.02 -110.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.84 . . . . 2.46 109.956 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 157.55 53.4 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.987 -1.245 . . . . 0.97 109.987 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -58.93 136.99 58.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.373 -1.075 . . . . 1.67 109.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -96.38 147.81 23.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.272 -0.892 . . . . 0.61 109.927 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.61 -173.3 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.746 -0.835 . . . . 0.56 108.746 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.6 p -150.67 149.64 30.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.43 108.741 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.6 tp -141.88 133.32 26.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.324 -0.86 . . . . 0.35 109.728 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.46 128.22 34.66 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.954 -0.758 . . . . 1.37 108.954 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.84 114.79 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.462 -0.774 . . . . 0.48 109.266 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.36 147.74 39.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.422 -0.798 . . . . 2.08 109.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.01 136.81 5.39 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.207 -1.157 . . . . 0.4 110.207 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -83.35 -44.38 14.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.417 -1.049 . . . . 2.64 109.235 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -57.5 -46.64 83.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -0.85 . . . . 2.22 109.134 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.84 -43.07 99.78 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.362 -0.836 . . . . 2.74 109.181 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -54.84 -55.66 27.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.554 -0.716 . . . . 0.43 109.758 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -51.68 -37.49 50.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.312 -0.868 . . . . 1.69 109.922 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -63.01 -52.4 63.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.275 -0.891 . . . . 0.43 110.283 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -42.74 99.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.27 109.116 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.98 -42.5 63.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 2.45 109.316 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.99 -51.86 67.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 1.75 109.819 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.27 -38.33 83.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.931 . . . . 0.31 108.836 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.32 -54.84 42.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.453 -0.78 . . . . 1.22 109.634 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -61.89 -34.11 75.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 1.73 109.767 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -50.64 72.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.255 -0.903 . . . . 0.28 109.769 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.92 -42.43 99.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.31 109.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.52 -40.7 83.66 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.241 -0.912 . . . . 1.91 108.824 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.59 -41.73 98.32 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.835 -0.802 . . . . 0.43 108.835 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.55 -44.23 97.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 1.57 108.738 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.27 66.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.842 -0.536 . . . . 1.44 110.034 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.53 82.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 0.64 109.768 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.57 1.25 34.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.351 -0.843 . . . . 1.21 109.814 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.74 -81.67 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 1.22 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.36 83.97 0.1 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.617 -1.393 . . . . 1.5 109.617 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' D' ' 357' ' ' LYS . 19.9 pttm -84.96 165.44 17.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.256 -1.143 . . . . 4.18 109.671 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.24 153.19 2.6 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 5.67 108.84 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.39 129.19 33.83 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.09 1.193 . . . . 5.65 110.009 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.034 -1.426 . . . . 7.27 109.549 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.517 -0.549 . . . . 7.33 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 321' ' ' LYS . 68.0 mmtt 52.94 17.91 0.98 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.291 -0.881 . . . . 7.21 109.598 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 320' ' ' LYS . 51.4 mttp 59.51 147.65 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.805 -0.56 . . . . 6.47 109.524 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 321' ' ' LYS . 3.3 Cg_exo -56.23 -162.08 0.01 OUTLIER 'Trans proline' 0 C--O 1.216 -0.618 0 C-N-CA 120.951 1.101 . . . . 4.53 110.039 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.18 120.47 24.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 4.35 109.423 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.78 -93.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.918 . . . . 2.48 109.466 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.68 146.51 45.37 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.486 -1.446 . . . . 0.98 109.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.46 125.32 23.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -1.056 . . . . 1.7 109.737 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 39.0 m-85 -93.67 154.42 17.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.208 -0.933 . . . . 0.61 109.231 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.91 -175.17 4.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.256 -0.902 . . . . 0.58 109.573 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.79 148.36 29.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.296 -0.878 . . . . 0.42 108.716 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.5 tp -141.07 133.3 28.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.359 -0.838 . . . . 0.36 109.819 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.61 131.38 34.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.757 -0.831 . . . . 1.37 108.757 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.1 mt -123.65 110.15 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 CA-C-O 121.642 0.734 . . . . 0.47 109.436 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.409 ' C ' ' CD ' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.14 20.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.605 -0.684 . . . . 2.1 109.413 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.77 130.75 3.93 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.796 -1.321 . . . . 0.42 109.796 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' A' ' 335' ' ' ARG . 19.8 ttt-85 -78.94 -50.38 11.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -1.129 . . . . 2.68 109.105 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.64 -45.07 85.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.335 -0.853 . . . . 2.22 109.239 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.32 -41.09 98.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.298 -0.876 . . . . 2.77 109.447 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.22 -55.93 25.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 0.43 109.944 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.75 -38.32 47.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 1.66 110.021 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.121 -0.987 . . . . 0.44 110.519 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.98 98.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.067 -1.021 . . . . 0.29 109.295 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.48 -44.6 62.53 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.212 -0.93 . . . . 2.44 109.567 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.39 -42.96 99.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 1.74 110.09 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.29 -39.75 91.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.3 109.492 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -58.36 -52.71 64.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 1.22 109.824 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.72 -31.53 72.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 1.72 109.777 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.06 -56.26 24.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 0.27 110.22 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.16 -39.75 91.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 0.29 109.514 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.09 -41.78 88.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.936 . . . . 1.91 109.302 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.21 -42.6 96.54 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.391 -0.966 . . . . 0.41 108.391 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.303 -0.999 . . . . 1.56 108.303 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -32.47 67.27 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.094 -0.706 . . . . 1.43 109.094 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.9 65.79 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.335 -0.853 . . . . 0.66 109.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -82.27 -25.77 33.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 1.18 109.218 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.77 -3.36 28.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.868 . . . . 1.23 109.496 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.65 -1.02 60.62 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.88 -1.288 . . . . 1.54 109.88 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.12 42.65 1.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -1.199 . . . . 4.18 109.245 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.79 154.77 2.24 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.375 -0.828 . . . . 5.71 109.184 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.59 156.43 14.51 Favored 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.123 1.215 . . . . 5.61 109.998 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.487 -1.445 . . . . 7.24 109.487 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.486 -0.561 . . . . 7.34 109.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 321' ' ' LYS . 68.0 mmtt 52.96 17.93 0.99 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.327 -0.858 . . . . 7.17 109.557 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 320' ' ' LYS . 51.3 mttp 59.59 147.67 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.72 -0.612 . . . . 6.44 109.52 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' B' ' 321' ' ' LYS . 3.3 Cg_exo -56.27 -161.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 120.924 1.083 . . . . 4.54 110.086 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -80.26 120.39 24.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.858 . . . . 4.32 109.381 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.68 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 2.47 109.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.73 146.51 45.3 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.512 -1.435 . . . . 0.95 109.512 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.43 125.3 23.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -1.09 . . . . 1.61 109.717 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 39.5 m-85 -93.71 154.47 17.78 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.235 -0.916 . . . . 0.57 109.344 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -138.89 -175.13 4.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.248 -0.907 . . . . 0.53 109.512 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.91 148.25 28.89 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.639 -0.875 . . . . 0.38 108.639 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.16 133.26 27.85 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.264 -0.898 . . . . 0.36 109.753 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.58 131.35 34.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.754 -0.832 . . . . 1.36 108.754 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.5 mt -123.58 110.1 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.491 -0.755 . . . . 0.49 109.52 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.411 ' C ' ' CD ' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.16 20.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.643 -0.66 . . . . 2.1 109.414 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.8 130.63 3.91 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.823 -1.311 . . . . 0.44 109.823 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 335' ' ' ARG . 20.0 ttt-85 -78.83 -50.33 11.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.298 -1.119 . . . . 2.72 109.121 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.68 -45.1 86.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.872 . . . . 2.21 109.245 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.35 -40.94 98.67 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 2.79 109.394 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.25 -55.96 25.41 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.524 -0.735 . . . . 0.45 109.96 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -38.38 46.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.256 -0.903 . . . . 1.68 110.038 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.19 -51.95 61.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.165 -0.959 . . . . 0.43 110.46 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.94 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.049 -1.032 . . . . 0.28 109.218 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.42 -44.74 62.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.244 -0.91 . . . . 2.52 109.575 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.23 -43.11 99.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.75 110.085 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.3 -39.64 91.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.31 109.482 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.45 -52.7 64.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.939 . . . . 1.21 109.729 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -31.53 72.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.69 109.806 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.97 -56.42 22.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 0.27 110.154 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.14 -39.77 91.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.114 -0.991 . . . . 0.3 109.47 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.02 -41.77 88.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.131 -0.981 . . . . 1.93 109.415 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.21 -42.55 96.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.422 -0.955 . . . . 0.4 108.422 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.36 -45.43 88.23 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.325 -0.991 . . . . 1.59 108.325 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.66 -32.37 67.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.044 -0.724 . . . . 1.43 109.044 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -23.89 65.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.297 -0.877 . . . . 0.65 109.252 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -82.26 -25.72 33.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.88 . . . . 1.19 109.302 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -3.45 28.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.312 -0.868 . . . . 1.22 109.561 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.6 -1.01 60.44 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.949 -1.26 . . . . 1.53 109.949 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.12 42.71 1.0 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.18 -1.188 . . . . 4.21 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 154.79 2.3 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.38 -0.825 . . . . 5.68 109.165 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.51 156.39 14.41 Favored 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.147 1.231 . . . . 5.57 109.968 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.452 -1.459 . . . . 7.2 109.452 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.436 -0.579 . . . . 8.96 109.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' C' ' 321' ' ' LYS . 68.0 mmtt 52.93 17.92 0.98 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.284 -0.885 . . . . 8.15 109.554 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' C' ' 320' ' ' LYS . 51.3 mttp 59.59 147.63 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.797 -0.565 . . . . 7.15 109.555 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' C' ' 321' ' ' LYS . 3.2 Cg_exo -56.29 -162.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 120.968 1.112 . . . . 4.35 110.122 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.27 120.52 24.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.306 -0.871 . . . . 4.63 109.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.71 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 2.85 109.468 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.76 146.47 45.16 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.52 -1.432 . . . . 1.12 109.52 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.36 125.2 22.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.369 -1.077 . . . . 2.11 109.747 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 39.2 m-85 -93.59 154.45 17.84 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.268 -0.895 . . . . 0.64 109.334 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -138.93 -175.04 4.01 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.309 -0.87 . . . . 0.49 109.535 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.88 148.38 29.06 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.638 -0.875 . . . . 0.47 108.638 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.25 133.2 27.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.875 . . . . 0.42 109.743 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.52 131.34 34.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.746 -0.835 . . . . 1.81 108.746 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.59 110.15 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.366 -0.834 . . . . 0.42 109.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.403 ' C ' ' CD ' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -75.96 120.16 20.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.612 -0.68 . . . . 2.35 109.429 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.82 130.72 3.92 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.758 -1.337 . . . . 0.41 109.758 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' C' ' 335' ' ' ARG . 19.9 ttt-85 -78.88 -50.28 11.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.364 -1.08 . . . . 2.59 109.09 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.78 -45.1 86.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.309 -0.869 . . . . 2.54 109.153 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.355 -0.841 . . . . 3.39 109.475 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.26 -55.92 25.88 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.536 -0.728 . . . . 0.47 109.959 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.82 -38.23 47.5 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 1.66 110.063 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.25 -51.87 61.5 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.15 -0.969 . . . . 0.61 110.473 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.89 98.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.075 -1.015 . . . . 0.33 109.307 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.58 -44.6 62.83 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.127 -0.983 . . . . 3.28 109.593 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.33 -42.97 99.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.78 110.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.24 -39.79 91.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.38 109.507 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.35 -52.71 64.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 1.2 109.754 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -31.45 72.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.224 -0.923 . . . . 2.12 109.786 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.04 -56.32 23.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.89 . . . . 0.26 110.2 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.14 -39.72 91.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 0.4 109.551 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.16 -41.73 89.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.144 -0.972 . . . . 2.09 109.341 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.533 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -64.24 -42.49 96.5 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.397 -0.964 . . . . 0.75 108.397 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.39 -45.48 88.26 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.309 -0.997 . . . . 2.19 108.309 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.54 -32.51 67.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.068 -0.716 . . . . 1.34 109.068 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.99 65.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.371 -0.831 . . . . 0.72 109.253 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -82.21 -25.77 33.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.359 -0.838 . . . . 1.8 109.287 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -3.38 28.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 1.39 109.544 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.73 -0.93 60.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.902 -1.279 . . . . 1.66 109.902 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.11 42.71 1.0 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.148 -1.207 . . . . 4.45 109.208 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.89 154.75 2.31 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 6.19 109.204 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.44 156.47 13.98 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.091 1.194 . . . . 5.58 109.958 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 118.011 -1.439 . . . . 6.9 109.511 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.454 -0.573 . . . . 7.36 109.454 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' D' ' 321' ' ' LYS . 68.1 mmtt 53.01 17.87 0.99 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.231 -0.918 . . . . 7.15 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' D' ' 320' ' ' LYS . 51.4 mttp 59.56 147.59 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 O-C-N 121.777 -0.577 . . . . 6.5 109.535 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' D' ' 321' ' ' LYS . 3.3 Cg_exo -56.2 -162.07 0.01 OUTLIER 'Trans proline' 0 C--O 1.215 -0.66 0 C-N-CA 120.88 1.054 . . . . 4.5 110.068 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -80.2 120.46 24.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 4.32 109.434 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.71 -93.3 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 2.46 109.458 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.74 146.46 45.18 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.489 -1.445 . . . . 0.97 109.489 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.39 125.32 23.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -1.088 . . . . 1.67 109.694 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 39.1 m-85 -93.69 154.42 17.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.273 -0.892 . . . . 0.61 109.241 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -138.86 -175.09 4.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.56 109.595 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.4 p -149.92 148.28 28.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.43 108.698 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 48.6 tp -141.2 133.17 27.63 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.294 -0.879 . . . . 0.35 109.772 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.44 131.29 34.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.792 -0.818 . . . . 1.37 108.792 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.63 110.02 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.472 -0.768 . . . . 0.48 109.513 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.41 ' CD ' ' C ' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -75.88 120.16 20.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.651 -0.656 . . . . 2.08 109.467 179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.87 130.69 3.91 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 109.765 -1.334 . . . . 0.4 109.765 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' D' ' 335' ' ' ARG . 19.6 ttt-85 -78.96 -50.28 11.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.354 -1.086 . . . . 2.64 109.114 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.61 -45.27 85.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.822 . . . . 2.22 109.173 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.372 -0.83 . . . . 2.74 109.499 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.23 -55.96 25.35 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.411 -0.805 . . . . 0.43 109.929 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.74 -38.4 47.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.69 110.047 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.16 -51.81 62.04 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.224 -0.923 . . . . 0.43 110.526 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.27 109.279 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.54 -44.7 62.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.211 -0.931 . . . . 2.45 109.562 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.35 -42.88 99.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 1.75 110.139 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.28 -39.7 91.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.16 -0.963 . . . . 0.31 109.539 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.37 -52.8 64.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 1.22 109.71 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.65 -31.55 72.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.73 109.823 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.99 -56.42 22.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 0.28 110.145 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.08 -39.79 91.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.31 109.473 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.14 -41.66 88.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.91 109.339 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.547 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.25 -42.59 96.42 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.419 -0.956 . . . . 0.43 108.419 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.289 -1.004 . . . . 1.57 108.289 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.63 -32.45 67.27 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.055 -0.72 . . . . 1.44 109.055 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.95 65.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.64 109.299 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -82.14 -25.81 34.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 1.21 109.324 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.73 -3.41 28.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 1.22 109.539 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.69 -0.94 60.53 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.96 -1.256 . . . . 1.5 109.96 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.17 42.76 1.01 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -1.218 . . . . 4.18 109.226 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' D' ' 358' ' ' GLU . 1.7 pt-20 -50.92 154.86 2.27 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.385 -0.822 . . . . 5.67 109.187 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.56 156.43 14.42 Favored 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 121.171 1.247 . . . . 5.65 109.941 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.991 -1.45 . . . . 7.27 109.478 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 320' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.421 -0.585 . . . . 7.33 109.421 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 319' ' ' LYS . 6.2 ptmm? 35.41 69.94 0.16 Allowed 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.194 0.521 . . . . 7.21 110.999 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 323' ' ' LEU . 38.0 mtmt 53.55 77.16 0.46 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.16 -0.962 . . . . 6.47 109.58 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.75 5.29 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.918 0 C-N-CA 121.284 1.323 . . . . 4.53 110.228 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 321' ' ' LYS . 40.7 mt -80.45 113.33 18.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.051 -1.03 . . . . 4.35 109.074 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.82 -122.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.251 -0.906 . . . . 2.48 109.856 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.98 158.59 51.71 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.786 -1.326 . . . . 0.98 109.786 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.03 135.18 57.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.353 -1.086 . . . . 1.7 109.453 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.92 152.88 17.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.254 -0.904 . . . . 0.61 109.745 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.06 -166.78 1.75 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.533 -0.729 . . . . 0.58 109.251 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -151.94 145.69 25.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.939 . . . . 0.42 108.896 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.49 137.43 33.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.363 -0.836 . . . . 0.36 109.847 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.01 133.52 33.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.909 -0.775 . . . . 1.37 108.909 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.36 117.25 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.461 -0.774 . . . . 0.47 109.365 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -75.11 151.53 38.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.641 -0.662 . . . . 2.1 109.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.91 142.83 4.02 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.49 -1.044 . . . . 0.42 110.49 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.35 -48.95 11.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -1.052 . . . . 2.68 109.03 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.37 -37.86 73.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.853 . . . . 2.22 108.749 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.608 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.15 -43.87 87.57 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.377 -0.827 . . . . 2.77 109.03 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.03 -57.39 12.33 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.642 -0.661 . . . . 0.43 109.792 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.58 -39.75 58.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.327 -0.858 . . . . 1.66 109.928 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.51 -52.54 60.79 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.146 -0.971 . . . . 0.44 110.184 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.95 -46.07 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.14 -0.975 . . . . 0.29 109.13 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.81 -41.43 57.36 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.195 -0.941 . . . . 2.44 109.414 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.96 -54.04 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 1.74 109.753 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -38.68 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.172 -0.955 . . . . 0.3 108.663 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.24 -55.62 32.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.7 . . . . 1.22 109.474 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.7 -33.67 75.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 1.72 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -51.55 69.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.381 -0.824 . . . . 0.27 109.541 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.87 -45.65 92.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.29 109.13 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.52 -35.99 73.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 1.91 109.175 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.85 75.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 0.41 109.198 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.8 -44.4 96.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.37 -0.831 . . . . 1.56 108.769 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.78 -32.89 66.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.614 -0.679 . . . . 1.43 109.573 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.24 79.25 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.66 109.639 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -80.66 1.58 29.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 1.18 109.695 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -61.87 1.61 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 1.23 109.191 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.62 0.76 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.378 -1.489 . . . . 1.54 109.378 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -86.68 -90.49 0.11 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.257 -1.143 . . . . 4.18 109.246 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -49.12 148.98 3.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 5.71 109.226 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.47 -166.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.079 1.186 . . . . 5.61 110.072 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 118.001 -1.444 . . . . 7.24 109.501 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' B' ' 320' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.436 -0.579 . . . . 7.34 109.436 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 319' ' ' LYS . 6.2 ptmm? 35.45 69.93 0.16 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.235 0.541 . . . . 7.17 111.021 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' B' ' 323' ' ' LEU . 37.9 mtmt 53.48 77.22 0.46 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 6.44 109.564 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.72 5.35 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.885 0 C-N-CA 121.322 1.348 . . . . 4.54 110.202 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' B' ' 321' ' ' LYS . 41.1 mt -80.53 113.26 18.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.058 -1.026 . . . . 4.32 109.012 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.81 -122.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 2.47 109.875 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.58 158.54 51.18 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.804 -1.318 . . . . 0.95 109.804 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.1 135.2 57.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.342 -1.093 . . . . 1.61 109.453 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -94.89 152.83 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.57 109.709 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.0 -166.8 1.75 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.589 -0.694 . . . . 0.53 109.24 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.92 145.59 24.99 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.192 -0.942 . . . . 0.38 108.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.42 137.46 33.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.402 -0.811 . . . . 0.36 109.846 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.0 133.54 33.91 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.912 -0.773 . . . . 1.36 108.912 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.42 117.24 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.433 -0.792 . . . . 0.49 109.371 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.55 38.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.636 -0.665 . . . . 2.1 109.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.86 4.0 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.458 -1.057 . . . . 0.44 110.458 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.31 -48.94 11.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -1.046 . . . . 2.72 109.096 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.4 -37.87 73.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.885 . . . . 2.21 108.763 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.609 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.08 -43.9 87.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.336 -0.852 . . . . 2.79 109.097 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.17 -57.31 12.72 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.748 -0.595 . . . . 0.45 109.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.44 -39.88 58.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 1.68 109.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.48 -52.48 61.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.132 -0.98 . . . . 0.43 110.217 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.94 -46.19 90.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.095 -1.003 . . . . 0.28 109.093 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.72 -41.43 56.24 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.211 -0.931 . . . . 2.52 109.496 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.97 -54.03 50.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.237 -0.914 . . . . 1.75 109.779 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.93 -38.85 83.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.163 -0.961 . . . . 0.31 108.642 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.22 -55.59 32.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.562 -0.711 . . . . 1.21 109.443 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.61 -33.78 75.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.433 -0.792 . . . . 1.69 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.81 -51.58 69.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.313 -0.867 . . . . 0.27 109.592 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.79 -45.7 92.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.3 109.117 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.47 -36.0 73.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.365 -0.834 . . . . 1.93 109.193 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.89 75.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.397 -0.814 . . . . 0.4 109.162 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.393 -0.817 . . . . 1.59 108.837 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.67 -32.93 65.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.63 -0.668 . . . . 1.43 109.554 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.23 79.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.65 109.594 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -80.71 1.61 29.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 1.19 109.645 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.77 -61.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 1.22 109.272 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.24 79.58 0.76 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 1.53 109.458 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -86.62 -90.51 0.11 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -1.14 . . . . 4.21 109.252 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -49.06 149.01 3.63 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.938 . . . . 5.68 109.177 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.54 -166.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 121.013 1.142 . . . . 5.57 110.156 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.48 -1.448 . . . . 7.2 109.48 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' C' ' 320' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.386 -0.598 . . . . 8.96 109.386 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' C' ' 319' ' ' LYS . 6.2 ptmm? 35.44 69.93 0.16 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.184 0.516 . . . . 8.15 111.032 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' C' ' 323' ' ' LEU . 37.9 mtmt 53.5 77.13 0.46 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 7.15 109.616 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.61 5.18 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.36 1.373 . . . . 4.35 110.252 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' C' ' 321' ' ' LYS . 41.3 mt -80.45 113.38 18.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.97 -1.082 . . . . 4.63 109.011 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.87 -122.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.923 . . . . 2.85 109.837 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 158.48 51.64 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.814 -1.315 . . . . 1.12 109.814 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.95 135.24 57.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.387 -1.067 . . . . 2.11 109.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.86 152.84 18.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.28 -0.888 . . . . 0.64 109.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.08 -166.78 1.75 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.589 -0.694 . . . . 0.49 109.156 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -151.96 145.58 24.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.205 -0.934 . . . . 0.47 108.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -140.4 137.58 34.12 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.442 -0.786 . . . . 0.42 109.857 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.11 133.5 33.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.814 -0.81 . . . . 1.81 108.814 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -123.42 117.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 121.492 -0.755 . . . . 0.42 109.396 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -75.18 151.57 38.49 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.396 0.617 . . . . 2.35 109.802 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.92 142.83 4.03 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.466 -1.053 . . . . 0.41 110.466 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -81.2 -49.06 11.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.465 -1.02 . . . . 2.59 109.087 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.38 -37.85 73.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.24 -0.913 . . . . 2.54 108.752 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.607 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.14 -43.83 87.53 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.394 -0.816 . . . . 3.39 109.076 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.2 -57.27 12.9 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.749 -0.594 . . . . 0.47 109.801 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -51.52 -39.84 58.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.66 109.942 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.56 -52.45 61.0 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.215 -0.928 . . . . 0.61 110.234 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.0 -46.05 90.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.067 -1.021 . . . . 0.33 109.117 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.79 -41.41 57.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.174 -0.953 . . . . 3.28 109.416 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.03 -53.96 51.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 1.78 109.777 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.07 -38.7 83.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.38 108.613 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.3 -55.61 32.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.51 -0.744 . . . . 1.2 109.447 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.51 -33.88 75.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 2.12 109.361 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.84 -51.54 69.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.26 109.504 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.89 -45.62 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.246 -0.909 . . . . 0.4 109.061 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.59 -35.92 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 2.09 109.174 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 21.3 tp -63.61 -48.9 75.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 0.75 109.228 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.439 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 14.9 ttmm -62.79 -44.4 96.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.35 -0.844 . . . . 2.19 108.812 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.77 -32.87 66.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.69 -0.631 . . . . 1.34 109.537 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.17 79.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.72 109.672 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -80.75 1.67 29.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -0.901 . . . . 1.8 109.649 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.87 1.61 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.18 -0.95 . . . . 1.39 109.22 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.18 79.58 0.76 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.391 -1.483 . . . . 1.66 109.391 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -86.61 -90.52 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -1.152 . . . . 4.45 109.254 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -49.16 148.95 3.84 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 6.19 109.193 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -55.45 -166.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.063 1.176 . . . . 5.58 110.072 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.403 -1.479 . . . . 6.9 109.403 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' D' ' 320' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.45 -0.574 . . . . 7.36 109.45 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' D' ' 319' ' ' LYS . 6.2 ptmm? 35.49 69.88 0.16 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-O 121.209 0.528 . . . . 7.15 110.981 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' D' ' 323' ' ' LEU . 37.9 mtmt 53.57 77.13 0.46 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 6.5 109.56 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.69 5.27 0.28 Allowed 'Trans proline' 0 C--N 1.32 -0.956 0 C-N-CA 121.305 1.337 . . . . 4.5 110.234 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' D' ' 321' ' ' LYS . 41.3 mt -80.45 113.38 18.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.042 -1.036 . . . . 4.32 109.003 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.89 -122.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 2.46 109.794 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.85 158.56 51.55 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.831 -1.308 . . . . 0.97 109.831 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.03 135.21 57.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.38 -1.07 . . . . 1.67 109.451 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -95.0 152.71 18.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.233 -0.917 . . . . 0.61 109.653 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -130.9 -166.73 1.73 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.701 . . . . 0.56 109.276 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.95 145.67 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.144 -0.973 . . . . 0.43 108.837 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.5 tp -140.47 137.47 33.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.395 -0.816 . . . . 0.35 109.855 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.05 133.51 33.89 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.932 -0.766 . . . . 1.37 108.932 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.36 117.18 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.485 -0.759 . . . . 0.48 109.419 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.6 38.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.666 -0.646 . . . . 2.08 109.842 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.79 3.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.536 -1.026 . . . . 0.4 110.536 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.21 -48.99 11.33 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -1.051 . . . . 2.64 109.124 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.34 -37.88 73.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -0.888 . . . . 2.22 108.751 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.609 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.24 -43.78 87.94 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.31 -0.869 . . . . 2.74 109.048 179.525 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.16 -57.36 12.53 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.347 0.594 . . . . 0.43 109.769 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.49 -39.83 58.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.301 -0.874 . . . . 1.69 109.97 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.47 -52.54 60.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.16 -0.962 . . . . 0.43 110.222 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.91 -46.21 90.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.022 -1.048 . . . . 0.27 109.095 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -50.71 -41.45 56.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.201 -0.937 . . . . 2.45 109.444 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.98 -54.04 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 1.75 109.73 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.99 -38.73 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.31 108.61 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.26 -55.66 32.01 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.527 -0.733 . . . . 1.22 109.393 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.439 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 45.0 tt0 -62.69 -33.65 75.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 1.73 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -51.55 69.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.349 -0.844 . . . . 0.28 109.593 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 50.5 mt -61.92 -45.65 92.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.31 109.061 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.47 -35.96 72.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.297 -0.877 . . . . 1.91 109.219 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.63 -48.85 75.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.41 -0.806 . . . . 0.43 109.222 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.413 -0.804 . . . . 1.57 108.839 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.68 -32.96 65.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.713 -0.617 . . . . 1.44 109.531 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.18 79.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.64 109.629 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -80.74 1.63 29.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 1.21 109.632 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.83 -61.9 1.6 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.166 -0.959 . . . . 1.22 109.191 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.08 79.54 0.74 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.453 -1.459 . . . . 1.5 109.453 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -86.65 -90.45 0.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.281 -1.129 . . . . 4.18 109.341 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -49.14 148.94 3.82 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 5.67 109.203 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -55.51 -166.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 120.975 1.117 . . . . 5.65 110.118 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.429 -1.468 . . . . 7.27 109.429 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.464 -0.569 . . . . 7.33 109.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 57.45 68.38 0.86 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 7.21 109.705 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 323' ' ' LEU . 59.8 mttp 52.76 71.85 1.33 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 6.47 109.795 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.24 24.67 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 121.69 1.594 . . . . 4.53 110.332 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.7 mt -80.46 109.74 15.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.976 -1.077 . . . . 4.35 109.237 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.56 108.51 15.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.25 -0.907 . . . . 2.48 109.89 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.69 155.06 52.76 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.452 . . . . 0.98 109.469 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.82 124.54 20.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.17 -1.194 . . . . 1.7 109.654 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 65.7 m-85 -98.26 153.32 18.58 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.207 -0.933 . . . . 0.61 109.949 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -141.2 139.0 33.75 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.705 -0.85 . . . . 0.58 108.705 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -98.98 161.58 13.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.438 -0.789 . . . . 0.42 109.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.09 132.76 17.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.063 -1.023 . . . . 0.36 110.157 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.67 127.16 34.42 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.722 -0.844 . . . . 1.37 108.722 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.65 109.29 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.474 -0.766 . . . . 0.47 109.391 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.53 152.2 39.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.397 -0.814 . . . . 2.1 109.518 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.8 130.2 4.9 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.954 -1.258 . . . . 0.42 109.954 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.491 ' NH1' ' OE2' ' A' ' 339' ' ' GLU . 1.3 tmt_? -73.7 -48.69 30.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.43 -1.041 . . . . 2.68 109.458 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 2.22 109.21 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.571 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -55.59 -42.57 74.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.364 -0.835 . . . . 2.77 109.922 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -54.53 -57.95 9.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.569 -0.707 . . . . 0.43 110.128 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.491 ' OE2' ' NH1' ' A' ' 335' ' ' ARG . 44.7 mt-10 -50.44 -41.37 52.57 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.283 -0.886 . . . . 1.66 110.093 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.22 48.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 0.44 110.737 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.01 -47.91 82.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.952 -1.093 . . . . 0.29 109.12 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.61 -43.33 62.49 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.215 -0.928 . . . . 2.44 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.66 -43.95 97.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.121 -0.987 . . . . 1.74 109.963 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.29 -43.94 98.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.3 109.443 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -58.78 -49.36 77.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.198 -0.939 . . . . 1.22 109.673 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.73 98.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.875 . . . . 1.72 110.1 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.82 -56.26 24.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.27 109.986 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.09 -42.18 98.03 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.29 109.531 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.51 -34.17 73.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.91 109.482 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.27 -50.26 68.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.41 109.395 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -63.0 -45.96 89.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.342 -0.849 . . . . 1.56 108.971 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -57.62 -38.11 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.631 -0.668 . . . . 1.43 109.755 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.65 71.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.66 109.922 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.22 -1.16 43.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.37 -0.831 . . . . 1.18 109.8 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -2.93 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 1.23 109.641 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.1 -0.15 89.53 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.651 -1.38 . . . . 1.54 109.651 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.46 6.81 25.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.226 -1.161 . . . . 4.18 109.688 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' A' ' 360' ' ' GLY . 14.3 pt-20 -51.35 151.17 5.49 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 5.71 108.954 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.65 3.12 0.16 Allowed 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 121.008 1.139 . . . . 5.61 110.322 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 117.921 -1.488 . . . . 7.24 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.307 0.575 . . . . 7.34 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.53 68.36 0.86 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 7.17 109.672 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' B' ' 323' ' ' LEU . 59.8 mttp 52.78 71.77 1.35 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 6.44 109.763 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.12 24.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.148 0 C-N-CA 121.69 1.593 . . . . 4.54 110.361 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.7 mt -80.44 109.79 15.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.955 -1.09 . . . . 4.32 109.291 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.53 109.04 15.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 2.47 109.825 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.58 154.96 51.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.376 -1.49 . . . . 0.95 109.376 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.55 124.54 20.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -1.212 . . . . 1.61 109.676 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 66.5 m-85 -98.33 153.34 18.61 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.179 -0.951 . . . . 0.57 109.919 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -141.17 139.05 33.81 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.756 -0.831 . . . . 0.53 108.756 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -99.1 161.51 13.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.808 . . . . 0.38 109.046 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.7 tp -148.0 132.85 18.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.36 110.106 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.76 127.12 34.46 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.644 -0.873 . . . . 1.36 108.644 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.7 109.48 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.507 -0.746 . . . . 0.49 109.363 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.59 152.17 39.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.389 -0.819 . . . . 2.1 109.536 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.76 130.35 4.93 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.928 -1.269 . . . . 0.44 109.928 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' B' ' 339' ' ' GLU . 1.3 tmt_? -73.82 -48.66 29.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 2.72 109.418 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.29 -41.65 80.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 2.21 109.203 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -55.51 -42.7 74.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.477 -0.764 . . . . 2.79 109.832 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.51 -57.89 9.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.525 -0.734 . . . . 0.45 110.096 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' B' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.32 53.49 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.293 -0.879 . . . . 1.68 110.01 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.17 -53.26 47.65 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.163 -0.96 . . . . 0.43 110.7 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.97 -47.89 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.056 -1.028 . . . . 0.28 109.108 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.68 -43.27 62.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.271 -0.893 . . . . 2.52 109.5 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.79 -43.85 97.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 1.75 109.903 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.36 -43.8 98.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 0.31 109.483 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.96 -49.25 78.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.297 -0.877 . . . . 1.21 109.579 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.21 -40.88 98.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.283 -0.886 . . . . 1.69 110.049 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.75 -56.23 24.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.27 110.016 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.13 -42.21 98.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.286 -0.884 . . . . 0.3 109.48 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.43 -34.24 73.68 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.23 -0.919 . . . . 1.93 109.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.26 -50.22 68.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.907 . . . . 0.4 109.408 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.0 -45.94 90.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.289 -0.882 . . . . 1.59 108.987 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -57.6 -38.11 74.35 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.524 -0.735 . . . . 1.43 109.751 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.54 71.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.65 109.9 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.33 -1.16 44.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 1.19 109.74 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -2.98 15.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 1.22 109.593 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.03 -0.18 89.58 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.636 -1.386 . . . . 1.53 109.636 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.43 6.81 25.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.222 -1.164 . . . . 4.21 109.724 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 360' ' ' GLY . 14.3 pt-20 -51.3 151.21 5.36 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 5.68 108.956 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.63 2.98 0.16 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.046 1.164 . . . . 5.57 110.266 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.94 -1.478 . . . . 7.2 109.523 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.455 -0.572 . . . . 8.96 109.455 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.38 68.36 0.86 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.304 -0.872 . . . . 8.15 109.79 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' C' ' 323' ' ' LEU . 59.8 mttp 52.76 71.9 1.32 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 7.15 109.766 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.27 24.67 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 C-N-CA 121.725 1.616 . . . . 4.35 110.264 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.7 mt -80.4 109.69 15.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 4.63 109.31 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.56 108.81 15.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.186 -0.946 . . . . 2.85 109.925 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.1 155.08 52.51 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.441 -1.464 . . . . 1.12 109.441 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.77 124.61 20.93 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -1.199 . . . . 2.11 109.634 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 66.3 m-85 -98.28 153.24 18.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.176 -0.953 . . . . 0.64 109.928 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -141.14 139.15 33.88 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.725 -0.843 . . . . 0.49 108.725 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -99.03 161.66 13.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.46 -0.775 . . . . 0.47 108.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.08 132.82 17.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.114 -0.991 . . . . 0.42 110.113 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.66 127.11 34.4 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.732 -0.84 . . . . 1.81 108.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.64 109.42 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.456 -0.778 . . . . 0.42 109.352 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 2.35 109.531 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.71 130.32 4.91 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.951 -1.26 . . . . 0.41 109.951 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' C' ' 339' ' ' GLU . 1.3 tmt_? -73.85 -48.67 29.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -1.092 . . . . 2.59 109.434 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.28 -41.54 79.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 2.54 109.202 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.577 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -55.68 -42.59 75.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.389 -0.82 . . . . 3.39 109.897 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -54.54 -57.85 9.76 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.469 -0.769 . . . . 0.47 110.162 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' C' ' 335' ' ' ARG . 44.7 mt-10 -50.49 -41.41 53.23 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.292 -0.88 . . . . 1.66 110.043 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.3 47.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.174 -0.954 . . . . 0.61 110.677 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.91 -47.92 82.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.98 -1.075 . . . . 0.33 109.098 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.69 -43.23 62.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.885 . . . . 3.28 109.572 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.8 -43.78 97.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 1.78 109.959 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.42 -43.8 98.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.38 109.486 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.87 -49.35 78.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.265 -0.897 . . . . 1.2 109.585 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.22 -40.77 98.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.885 . . . . 2.12 110.048 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.89 -56.14 25.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.298 -0.876 . . . . 0.26 110.029 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.408 HD13 ' HE ' ' A' ' 337' ' ' ARG . 29.3 mt -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.4 109.524 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.6 -34.1 73.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.171 -0.955 . . . . 2.09 109.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.3 -50.32 68.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.75 109.351 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.92 -46.02 89.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.33 -0.856 . . . . 2.19 109.025 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -57.54 -38.03 74.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.588 -0.695 . . . . 1.34 109.838 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.63 71.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.72 109.866 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' D' ' 354' ' ' GLN . 22.3 mt-30 -81.22 -1.16 43.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.252 -0.905 . . . . 1.8 109.84 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.94 15.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 1.39 109.661 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.1 -0.11 89.52 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.656 -1.378 . . . . 1.66 109.656 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.5 6.79 25.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.168 -1.196 . . . . 4.45 109.66 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' C' ' 360' ' ' GLY . 14.4 pt-20 -51.32 151.24 5.38 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.96 . . . . 6.19 108.961 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.62 2.96 0.16 Allowed 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.075 1.183 . . . . 5.58 110.258 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.953 -1.471 . . . . 6.9 109.536 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.478 -0.564 . . . . 7.36 109.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.48 68.41 0.85 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.338 -0.852 . . . . 7.15 109.671 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' D' ' 323' ' ' LEU . 59.8 mttp 52.74 71.8 1.35 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 6.5 109.794 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.2 24.64 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 121.647 1.565 . . . . 4.5 110.346 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.7 mt -80.38 109.67 15.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.973 -1.079 . . . . 4.32 109.386 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.46 108.81 15.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 2.46 109.879 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.19 155.12 52.43 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.391 -1.484 . . . . 0.97 109.391 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.83 124.56 20.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.126 -1.22 . . . . 1.67 109.627 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 65.9 m-85 -98.28 153.26 18.64 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.236 -0.915 . . . . 0.61 109.95 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.1 139.17 33.95 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.666 -0.864 . . . . 0.56 108.666 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -99.09 161.59 13.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.387 -0.821 . . . . 0.43 108.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -148.04 132.84 17.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.35 110.159 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.75 127.15 34.46 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.672 -0.862 . . . . 1.37 108.672 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.55 109.43 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.432 -0.792 . . . . 0.48 109.367 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -74.6 152.12 39.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.8 . . . . 2.08 109.539 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.85 130.3 4.95 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.889 -1.284 . . . . 0.4 109.889 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' D' ' 339' ' ' GLU . 1.3 tmt_? -73.89 -48.66 29.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -1.066 . . . . 2.64 109.424 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.127 -0.983 . . . . 2.22 109.212 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -55.58 -42.62 75.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.497 -0.752 . . . . 2.74 109.916 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -54.49 -57.91 9.53 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.543 -0.723 . . . . 0.43 110.113 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' D' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.36 53.55 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.36 -0.837 . . . . 1.69 110.005 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.11 -53.16 49.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.069 -1.019 . . . . 0.43 110.783 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.09 -47.77 83.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.051 -1.031 . . . . 0.27 109.069 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.76 -43.31 62.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.363 -0.835 . . . . 2.45 109.511 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.62 -44.03 96.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 1.75 109.973 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.177 -0.952 . . . . 0.31 109.511 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.85 -49.42 77.8 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.22 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.72 98.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.873 . . . . 1.73 110.118 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.91 -56.18 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.236 -0.915 . . . . 0.28 109.962 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.31 109.49 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.33 -34.3 73.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 1.91 109.498 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.19 -50.27 68.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 0.43 109.389 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.02 -45.91 90.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.374 -0.829 . . . . 1.57 109.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -57.62 -38.0 74.23 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.636 -0.665 . . . . 1.44 109.852 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.58 71.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.64 109.86 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' C' ' 354' ' ' GLN . 22.4 mt-30 -81.27 -1.2 44.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.21 109.806 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.86 15.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 1.22 109.626 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.08 -0.16 89.55 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.657 -1.377 . . . . 1.5 109.657 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -85.45 6.71 25.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -1.208 . . . . 4.18 109.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' D' ' 360' ' ' GLY . 14.4 pt-20 -51.33 151.16 5.45 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 5.67 108.935 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.59 3.04 0.16 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.101 1.201 . . . . 5.65 110.256 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.892 -1.504 . . . . 7.27 109.522 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.453 -0.573 . . . . 7.33 109.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 321' ' ' LYS . 41.0 tttp 70.05 -66.04 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.71 -0.619 . . . . 7.21 109.995 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 320' ' ' LYS . 4.7 mtpm? 60.77 146.59 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.847 0 N-CA-C 109.207 -0.664 . . . . 6.47 109.207 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.05 -85.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 121.103 1.202 . . . . 4.53 110.551 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.38 113.93 19.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.175 -0.953 . . . . 4.35 110.291 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.2 -152.98 0.11 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.896 . . . . 2.48 109.246 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.16 156.65 53.43 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.794 -1.322 . . . . 0.98 109.794 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.04 133.06 55.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.217 -1.166 . . . . 1.7 109.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -97.12 158.75 15.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.332 -0.855 . . . . 0.61 109.574 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.07 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.384 -0.823 . . . . 0.58 109.112 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.68 150.07 29.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.14 -0.975 . . . . 0.42 109.371 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -142.18 133.47 26.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.36 109.634 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.15 131.83 34.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.409 -0.807 . . . . 1.37 108.974 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.54 114.48 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.477 -0.764 . . . . 0.47 109.098 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.599 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.88 150.53 39.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.056 -0.72 . . . . 2.1 109.056 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 88.55 126.74 2.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.28 -1.128 . . . . 0.42 110.28 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.523 ' CG ' HH11 ' A' ' 335' ' ' ARG . 1.2 ttt-85 -71.89 -52.21 18.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 2.68 109.132 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.47 -37.07 72.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 2.22 109.366 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.27 -41.21 97.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.311 -0.868 . . . . 2.77 109.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.25 -50.64 70.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.43 109.673 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -52.12 -40.04 60.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 1.66 109.985 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.39 -52.49 64.39 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.205 -0.935 . . . . 0.44 110.191 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.63 -44.69 96.06 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.29 108.931 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.6 -40.32 59.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.258 -0.901 . . . . 2.44 109.299 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.14 -53.46 57.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.74 109.656 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.75 -38.05 80.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.93 . . . . 0.3 108.542 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.09 -54.59 45.28 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.427 -0.796 . . . . 1.22 109.298 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.417 -0.802 . . . . 1.72 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -55.01 38.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.27 109.621 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.9 -44.19 97.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.298 -0.876 . . . . 0.29 109.421 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.58 -36.04 77.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.91 109.481 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.92 -48.44 76.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.41 109.529 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.83 -43.53 98.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 1.56 109.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.8 -35.16 68.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.56 -0.713 . . . . 1.43 109.529 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.93 80.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.66 109.932 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.4 HE22 HD11 ' B' ' 350' ' ' LEU . 33.8 mt-30 -81.3 -3.04 51.32 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.185 -0.947 . . . . 1.18 109.731 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -0.12 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 1.23 109.427 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.77 -1.02 90.55 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.921 -1.272 . . . . 1.54 109.921 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.54 4.74 34.58 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.092 -1.24 . . . . 4.18 109.151 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.79 110.32 1.34 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.162 -0.961 . . . . 5.71 109.257 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -60.11 139.68 88.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 120.567 0.845 . . . . 5.61 109.957 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 117.974 -1.459 . . . . 7.24 109.613 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.494 -0.558 . . . . 7.34 109.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 321' ' ' LYS . 41.0 tttp 70.1 -66.12 0.29 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.688 -0.632 . . . . 7.17 110.016 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 320' ' ' LYS . 4.8 mtpm? 60.83 146.63 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.827 0 N-CA-C 109.156 -0.683 . . . . 6.44 109.156 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.13 -85.69 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 121.061 1.174 . . . . 4.54 110.522 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -81.36 114.01 19.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.978 . . . . 4.32 110.256 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.26 -152.79 0.11 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.282 -0.886 . . . . 2.47 109.217 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.49 156.72 53.41 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.787 -1.325 . . . . 0.95 109.787 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.13 133.13 55.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.292 -1.123 . . . . 1.61 109.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -97.15 158.62 15.35 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.326 -0.858 . . . . 0.57 109.617 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.99 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.344 -0.847 . . . . 0.53 109.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -151.64 150.08 29.86 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.015 -1.053 . . . . 0.38 109.359 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -142.17 133.53 26.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.394 -0.816 . . . . 0.36 109.594 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.24 131.78 34.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.459 -0.775 . . . . 1.36 108.983 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.44 114.48 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.467 -0.771 . . . . 0.49 109.131 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.54 39.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.499 -0.751 . . . . 2.1 109.13 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 88.54 126.85 2.71 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.232 -1.147 . . . . 0.44 110.232 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.517 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.2 ttt-85 -72.08 -52.12 18.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.463 -1.022 . . . . 2.72 109.173 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.41 -37.15 72.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 2.21 109.402 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.27 -41.19 97.03 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.334 -0.854 . . . . 2.79 109.179 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.26 -50.54 71.07 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.506 -0.746 . . . . 0.45 109.772 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.404 -0.81 . . . . 1.68 110.017 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.44 -52.55 64.08 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 0.43 110.084 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.62 -44.76 95.96 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.116 -0.99 . . . . 0.28 108.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.47 -40.54 59.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.285 -0.884 . . . . 2.52 109.25 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -60.04 -53.47 57.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.75 109.676 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.77 -37.93 80.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.31 108.651 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.23 -54.55 45.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.78 . . . . 1.21 109.288 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.463 -0.773 . . . . 1.69 109.486 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.64 -54.98 38.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.27 109.597 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.9 -44.38 97.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.336 -0.853 . . . . 0.3 109.419 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.42 -36.09 77.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.89 . . . . 1.93 109.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.4 HD11 HE22 ' A' ' 354' ' ' GLN . 50.0 tp -63.9 -48.42 76.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.923 . . . . 0.4 109.548 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.79 -43.56 98.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.844 . . . . 1.59 109.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.71 -35.3 68.36 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.508 -0.745 . . . . 1.43 109.562 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.0 80.83 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.65 109.903 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.28 -3.13 51.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.162 -0.961 . . . . 1.19 109.732 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.78 -0.14 6.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 1.22 109.442 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.71 -1.18 90.53 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.906 -1.278 . . . . 1.53 109.906 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.49 4.76 34.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -1.215 . . . . 4.21 109.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.86 110.4 1.37 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 5.68 109.256 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -60.15 139.73 88.81 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 N-CA-C 109.992 -0.811 . . . . 5.57 109.992 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.574 -1.41 . . . . 7.2 109.574 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.506 -0.553 . . . . 8.96 109.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 321' ' ' LYS . 41.0 tttp 70.11 -66.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.689 -0.632 . . . . 8.15 109.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 320' ' ' LYS . 4.8 mtpm? 60.84 146.56 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.81 0 N-CA-C 109.153 -0.684 . . . . 7.15 109.153 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.97 -85.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 121.137 1.225 . . . . 4.35 110.575 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -81.25 113.92 19.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.255 -0.903 . . . . 4.63 110.314 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.32 -152.89 0.11 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 2.85 109.227 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.29 156.65 53.41 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.775 -1.33 . . . . 1.12 109.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.04 133.08 55.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.277 -1.131 . . . . 2.11 109.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -97.14 158.77 15.28 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.204 -0.935 . . . . 0.64 109.521 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.08 -171.14 2.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.371 -0.831 . . . . 0.49 109.131 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.65 150.12 29.9 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.159 -0.963 . . . . 0.47 109.354 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -142.25 133.48 26.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.395 -0.816 . . . . 0.42 109.628 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.14 131.83 34.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.397 -0.814 . . . . 1.81 109.041 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.47 114.38 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.484 -0.76 . . . . 0.42 109.111 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.83 150.61 39.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.504 -0.747 . . . . 2.35 109.107 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 88.47 126.8 2.68 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.257 -1.137 . . . . 0.41 110.257 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.2 ttt-85 -71.98 -52.14 18.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -1.026 . . . . 2.59 109.23 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.45 -37.1 72.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 2.54 109.36 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.34 -41.1 96.95 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.296 -0.877 . . . . 3.39 109.144 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.41 -50.51 71.39 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.482 -0.761 . . . . 0.47 109.713 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.97 60.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 1.66 110.037 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.42 -52.43 64.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.272 -0.892 . . . . 0.61 110.142 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.086 -1.009 . . . . 0.33 108.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -51.47 -40.54 59.69 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.276 -0.89 . . . . 3.28 109.283 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.99 -53.51 57.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 1.78 109.642 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.8 -37.95 80.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.245 -0.91 . . . . 0.38 108.607 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.11 -54.58 45.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.435 -0.791 . . . . 1.2 109.386 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.54 -33.36 74.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.444 -0.785 . . . . 2.12 109.566 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.64 -54.9 39.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.878 . . . . 0.26 109.677 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.95 -44.38 97.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.4 109.413 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.35 -36.08 77.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 2.09 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.432 HD11 HE22 ' D' ' 354' ' ' GLN . 49.9 tp -63.95 -48.38 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.75 109.562 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.86 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.361 -0.837 . . . . 2.19 109.013 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.74 -35.17 68.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.522 -0.736 . . . . 1.34 109.557 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.0 80.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.72 109.936 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.31 -3.09 51.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.149 -0.97 . . . . 1.8 109.712 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.86 -0.11 6.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 1.39 109.389 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.78 -1.1 90.55 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.908 -1.277 . . . . 1.66 109.908 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -85.41 4.62 34.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.239 . . . . 4.45 109.168 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -47.82 110.43 1.38 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 6.19 109.226 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -60.15 139.65 88.37 Favored 'Trans proline' 0 C--O 1.216 -0.619 0 C-N-CA 120.533 0.822 . . . . 5.58 109.987 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.991 -1.449 . . . . 6.9 109.595 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.464 -0.569 . . . . 7.36 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 321' ' ' LYS . 41.0 tttp 70.16 -66.23 0.28 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.713 -0.617 . . . . 7.15 109.97 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 320' ' ' LYS . 4.8 mtpm? 60.91 146.6 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.845 0 N-CA-C 109.16 -0.682 . . . . 6.5 109.16 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.06 -85.72 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 121.067 1.178 . . . . 4.5 110.566 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -81.25 113.91 19.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.95 . . . . 4.32 110.278 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.29 -152.84 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.295 -0.878 . . . . 2.46 109.247 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.31 156.55 53.38 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.796 -1.322 . . . . 0.97 109.796 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -60.94 133.15 55.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -1.067 . . . . 1.67 109.944 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -97.13 158.81 15.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.312 -0.867 . . . . 0.61 109.564 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.18 -171.25 2.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.342 -0.849 . . . . 0.56 109.105 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.61 150.17 29.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.122 -0.986 . . . . 0.43 109.333 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -142.21 133.4 26.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.346 -0.846 . . . . 0.35 109.691 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -87.07 131.86 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.411 -0.806 . . . . 1.37 109.079 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.54 114.43 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.346 -0.846 . . . . 0.48 109.167 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.52 39.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.517 -0.739 . . . . 2.08 109.109 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 88.55 126.71 2.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.24 -1.144 . . . . 0.4 110.24 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.528 HH11 ' CG ' ' D' ' 335' ' ' ARG . 1.2 ttt-85 -71.95 -52.12 18.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.438 -1.036 . . . . 2.64 109.183 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.48 -37.08 72.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.375 -0.828 . . . . 2.22 109.37 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.35 -41.14 96.9 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.339 -0.851 . . . . 2.74 109.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.33 -50.45 71.43 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.541 -0.724 . . . . 0.43 109.705 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.29 -40.0 61.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 1.69 109.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.29 -52.56 64.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.204 -0.935 . . . . 0.43 110.17 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.67 -44.71 96.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.081 -1.012 . . . . 0.27 108.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.48 -40.52 59.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.277 -0.89 . . . . 2.45 109.299 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.97 -53.58 56.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.75 109.667 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.72 -38.03 80.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 0.31 108.543 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.06 -54.61 45.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 1.22 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -62.55 -33.52 75.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.382 -0.824 . . . . 1.73 109.458 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.59 -54.95 39.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.315 -0.866 . . . . 0.28 109.608 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.0 -44.15 97.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 0.31 109.472 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.59 -36.08 77.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.23 -0.919 . . . . 1.91 109.45 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.84 -48.35 77.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.328 -0.858 . . . . 0.43 109.597 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.86 -43.61 98.33 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -0.844 . . . . 1.57 109.069 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.72 -35.22 68.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.557 -0.714 . . . . 1.44 109.612 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.11 81.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -0.88 . . . . 0.64 109.939 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.432 HE22 HD11 ' C' ' 350' ' ' LEU . 33.8 mt-30 -81.24 -3.01 51.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.207 -0.933 . . . . 1.21 109.744 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.83 -0.21 6.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -0.948 . . . . 1.22 109.422 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.69 -1.14 90.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.903 -1.279 . . . . 1.5 109.903 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.47 4.75 34.25 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.065 -1.256 . . . . 4.18 109.158 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.83 110.36 1.36 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 5.67 109.272 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -60.19 139.74 88.73 Favored 'Trans proline' 0 C--O 1.215 -0.644 0 N-CA-C 109.92 -0.839 . . . . 5.65 109.92 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 7.27 109.525 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.363 0.602 . . . . 7.33 109.529 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.34 5.55 2.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.318 -0.864 . . . . 7.21 109.082 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' A' ' 323' ' ' LEU . 41.9 mmtm 54.82 78.35 0.39 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 6.47 109.499 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.15 5.3 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 121.343 1.362 . . . . 4.53 110.011 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.3 mt -81.35 51.18 1.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 4.35 109.322 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.94 -102.92 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.679 -0.638 . . . . 2.48 109.68 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.484 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -68.24 153.54 52.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.537 -1.425 . . . . 0.98 109.537 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -59.18 123.13 15.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -1.105 . . . . 1.7 109.632 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.484 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 65.4 m-85 -93.81 154.95 17.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.326 -0.859 . . . . 0.61 109.244 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -136.95 -172.33 3.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.323 -0.861 . . . . 0.58 109.445 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -150.43 152.17 33.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.303 -0.999 . . . . 0.42 108.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.0 133.88 22.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.36 109.783 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.13 129.17 34.85 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.612 -0.884 . . . . 1.37 108.612 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -123.59 110.61 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.472 -0.767 . . . . 0.47 109.278 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.12 147.68 40.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.67 -0.644 . . . . 2.1 109.702 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.38 2.44 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.972 -1.251 . . . . 0.42 109.972 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.463 ' HG3' HH11 ' A' ' 335' ' ' ARG . 9.7 ttm-85 -71.22 -43.08 68.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -1.106 . . . . 2.68 109.258 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.347 -0.846 . . . . 2.22 109.63 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.59 -39.79 95.29 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.2 -0.938 . . . . 2.77 109.56 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -54.44 -54.4 41.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.393 -0.817 . . . . 0.43 109.769 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.91 -40.62 61.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 1.66 109.687 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.28 -52.96 59.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.346 -0.846 . . . . 0.44 110.36 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.29 109.15 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.94 -35.78 47.04 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.324 -0.86 . . . . 2.44 109.448 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.54 -48.74 79.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.086 -1.009 . . . . 1.74 109.658 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.3 -37.4 80.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.3 108.664 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.12 -57.35 13.22 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 1.22 109.506 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -63.16 -35.48 80.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.409 -0.807 . . . . 1.72 109.568 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.08 -54.35 48.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.27 109.966 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.12 -44.28 97.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.134 -0.979 . . . . 0.29 109.388 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.55 -35.86 75.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.216 -0.928 . . . . 1.91 109.347 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.504 HD11 HE22 ' B' ' 354' ' ' GLN . 33.1 tp -64.02 -48.82 74.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 0.41 109.344 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.51 -48.01 79.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.359 -0.838 . . . . 1.56 108.985 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.95 -32.07 69.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.669 -0.644 . . . . 1.43 109.571 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.26 77.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.66 109.979 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.93 -9.45 59.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 1.18 109.681 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -3.96 25.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.216 -0.927 . . . . 1.23 109.328 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.86 36.64 3.0 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.774 -1.33 . . . . 1.54 109.774 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.15 134.83 34.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.036 -1.273 . . . . 4.18 109.289 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -50.96 152.66 3.55 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 5.71 109.41 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.83 166.4 2.96 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 121.219 1.28 . . . . 5.61 110.105 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 CA-C-O 117.974 -1.459 . . . . 7.24 109.479 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.376 0.608 . . . . 7.34 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 5.54 2.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.327 -0.858 . . . . 7.17 109.101 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' B' ' 323' ' ' LEU . 41.7 mmtm 54.83 78.34 0.39 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.234 -0.916 . . . . 6.44 109.531 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.14 5.31 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 121.342 1.361 . . . . 4.54 110.01 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.2 mt -81.43 51.32 1.62 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 4.32 109.332 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -79.94 -103.16 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.59 -0.694 . . . . 2.47 109.69 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.487 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -67.9 153.59 52.93 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.585 -1.406 . . . . 0.95 109.585 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -59.33 123.19 15.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -1.095 . . . . 1.61 109.583 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.487 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 64.9 m-85 -93.77 154.93 17.5 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.282 -0.886 . . . . 0.57 109.267 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -136.88 -172.27 3.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.53 109.397 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.0 p -150.37 152.38 34.3 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.247 -1.02 . . . . 0.38 108.247 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.12 133.67 22.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 0.36 109.82 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.96 129.17 34.84 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.592 -0.892 . . . . 1.36 108.592 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.9 mt -123.67 110.64 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.507 -0.746 . . . . 0.49 109.248 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.9 ttt-85 -75.13 147.61 40.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.618 -0.676 . . . . 2.1 109.695 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.24 124.45 2.46 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.992 -1.243 . . . . 0.44 109.992 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.444 ' HG3' HH11 ' B' ' 335' ' ' ARG . 9.6 ttm-85 -71.36 -42.94 67.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -1.14 . . . . 2.72 109.276 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.77 -45.78 89.0 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.331 -0.856 . . . . 2.21 109.566 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.55 -39.88 95.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.233 -0.917 . . . . 2.79 109.525 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.4 -54.43 40.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.485 -0.76 . . . . 0.45 109.75 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.89 -40.65 61.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.68 109.734 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.27 -52.92 60.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.267 -0.896 . . . . 0.43 110.356 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.51 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.168 -0.957 . . . . 0.28 109.135 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.93 -35.78 46.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 2.52 109.448 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.59 -48.84 79.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.75 109.609 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.25 -37.33 80.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.275 -0.891 . . . . 0.31 108.697 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.17 -57.34 13.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.506 -0.746 . . . . 1.21 109.478 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.22 -35.45 80.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.47 -0.769 . . . . 1.69 109.565 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.04 -54.43 47.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.375 -0.828 . . . . 0.27 109.984 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.07 -44.23 97.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.3 109.515 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.63 -35.75 74.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.233 -0.917 . . . . 1.93 109.328 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.15 -48.88 74.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.271 -0.893 . . . . 0.4 109.288 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.41 -47.91 80.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 1.59 108.983 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.99 -32.04 69.33 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.592 -0.693 . . . . 1.43 109.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.21 77.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.858 . . . . 0.65 109.939 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.504 HE22 HD11 ' A' ' 350' ' ' LEU . 28.8 mt-30 -81.95 -9.46 59.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.932 . . . . 1.19 109.601 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.86 -3.95 25.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.168 -0.957 . . . . 1.22 109.369 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.86 36.75 2.99 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.798 -1.321 . . . . 1.53 109.798 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.15 134.88 34.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 4.21 109.304 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -51.07 152.6 3.74 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.315 -0.866 . . . . 5.68 109.337 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -55.77 166.42 2.88 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 C-N-CA 121.25 1.3 . . . . 5.57 110.133 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.487 -1.445 . . . . 7.2 109.487 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.382 0.61 . . . . 8.96 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 5.7 2.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.312 -0.868 . . . . 8.15 109.073 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' C' ' 323' ' ' LEU . 41.7 mmtm 54.83 78.24 0.4 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.237 -0.914 . . . . 7.15 109.564 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.14 5.26 0.53 Allowed 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 121.357 1.372 . . . . 4.35 110.015 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.2 mt -81.31 51.26 1.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 4.63 109.387 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.88 -103.02 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.576 -0.703 . . . . 2.85 109.687 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -68.13 153.45 52.92 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 1.12 109.593 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -59.03 123.13 15.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.343 -1.092 . . . . 2.11 109.604 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 64.8 m-85 -93.83 154.86 17.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.22 -0.925 . . . . 0.64 109.313 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -136.89 -172.32 3.15 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.49 109.392 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -150.48 152.19 33.85 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.294 -1.002 . . . . 0.47 108.294 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.3 tp -144.99 133.75 22.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.42 109.813 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.99 129.2 34.84 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.62 -0.881 . . . . 1.81 108.62 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.73 110.61 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-O 121.676 0.75 . . . . 0.42 109.231 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -75.12 147.71 40.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.548 -0.72 . . . . 2.35 109.745 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 124.38 2.42 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.982 -1.247 . . . . 0.41 109.982 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.456 HH11 ' HG3' ' C' ' 335' ' ' ARG . 9.6 ttm-85 -71.27 -42.89 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -1.143 . . . . 2.59 109.339 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.78 -45.8 88.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.367 -0.833 . . . . 2.54 109.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -63.61 -39.81 95.3 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.237 -0.915 . . . . 3.39 109.47 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.46 -54.42 41.14 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.462 -0.774 . . . . 0.47 109.742 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.89 -40.66 61.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 1.66 109.723 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.26 -52.95 60.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.302 -0.874 . . . . 0.61 110.352 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.13 -53.78 52.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.005 . . . . 0.33 109.117 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -52.05 -35.74 48.24 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.281 -0.887 . . . . 3.28 109.391 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.61 -48.73 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.78 109.646 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.36 -37.27 80.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.38 108.666 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.19 -57.32 13.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.556 -0.715 . . . . 1.2 109.489 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -63.17 -35.48 80.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 2.12 109.568 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -54.45 46.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.26 109.952 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.03 -44.29 97.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.195 -0.94 . . . . 0.4 109.494 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.53 -35.83 74.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.09 109.326 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.1 -48.9 74.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.75 109.321 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.93 79.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.348 -0.845 . . . . 2.19 108.975 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.95 -32.05 69.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.678 -0.639 . . . . 1.34 109.631 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.2 77.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.316 -0.865 . . . . 0.72 109.997 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -82.0 -9.48 59.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 1.8 109.572 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -4.02 25.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.123 -0.986 . . . . 1.39 109.313 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.91 36.71 3.0 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.733 -1.347 . . . . 1.66 109.733 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.14 134.81 34.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.067 -1.254 . . . . 4.45 109.328 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -50.97 152.59 3.61 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.317 -0.864 . . . . 6.19 109.401 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.81 166.44 2.9 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 121.219 1.279 . . . . 5.58 110.147 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.469 -1.452 . . . . 6.9 109.469 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.339 0.59 . . . . 7.36 109.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 5.58 2.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 7.15 109.16 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' D' ' 323' ' ' LEU . 41.7 mmtm 54.85 78.3 0.39 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.152 -0.967 . . . . 6.5 109.61 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.1 5.25 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 121.337 1.358 . . . . 4.5 110.069 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.3 mt -81.37 51.3 1.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.249 -0.907 . . . . 4.32 109.314 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.91 -103.16 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.693 -0.63 . . . . 2.46 109.641 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.99 153.49 52.92 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.588 -1.405 . . . . 0.97 109.588 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.11 123.21 15.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.282 -1.128 . . . . 1.67 109.644 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.483 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 64.1 m-85 -93.81 155.01 17.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.311 -0.868 . . . . 0.61 109.269 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -137.03 -172.3 3.15 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.275 -0.89 . . . . 0.56 109.415 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 36.9 p -150.44 152.23 33.98 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.274 -1.01 . . . . 0.43 108.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.08 133.76 22.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.115 -0.991 . . . . 0.35 109.783 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.06 129.2 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 1.37 108.611 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.65 110.68 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.488 -0.757 . . . . 0.48 109.263 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.22 147.73 40.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.628 -0.67 . . . . 2.08 109.686 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.25 124.38 2.45 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.885 -1.286 . . . . 0.4 109.885 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.446 ' HG3' HH11 ' D' ' 335' ' ' ARG . 9.7 ttm-85 -71.23 -42.94 68.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -1.196 . . . . 2.64 109.332 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.76 -45.66 89.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 2.22 109.619 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.7 -39.81 95.22 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.235 -0.916 . . . . 2.74 109.525 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.41 -54.37 41.65 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.447 -0.783 . . . . 0.43 109.779 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.97 -40.59 61.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.246 -0.909 . . . . 1.69 109.715 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -63.4 -52.81 60.05 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.345 -0.847 . . . . 0.43 110.306 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.24 -53.75 52.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.117 -0.989 . . . . 0.27 109.169 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.96 -35.8 47.31 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.278 -0.889 . . . . 2.45 109.42 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -61.56 -48.73 79.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.156 -0.965 . . . . 1.75 109.649 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.32 -37.27 80.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.31 108.724 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.13 -57.41 12.98 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 1.22 109.432 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.21 -35.47 80.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.375 -0.828 . . . . 1.73 109.539 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.06 -54.39 47.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.859 . . . . 0.28 109.939 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.17 -44.06 97.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.235 -0.915 . . . . 0.31 109.538 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -35.9 75.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.91 109.313 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.06 -48.94 74.27 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.291 -0.88 . . . . 0.43 109.308 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.2 ttmp? -63.46 -47.97 79.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.362 -0.836 . . . . 1.57 108.959 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.88 -32.17 69.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.637 -0.664 . . . . 1.44 109.641 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.1 77.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.64 109.974 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -82.08 -9.39 59.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.876 . . . . 1.21 109.573 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.91 -3.97 25.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.144 -0.972 . . . . 1.22 109.267 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.82 36.73 2.99 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.778 -1.329 . . . . 1.5 109.778 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.09 134.79 34.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.081 -1.246 . . . . 4.18 109.37 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -50.95 152.62 3.57 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 5.67 109.444 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.87 166.47 2.93 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 121.243 1.296 . . . . 5.65 110.073 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.464 -1.454 . . . . 7.27 109.464 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.522 -0.547 . . . . 7.33 109.522 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 321' ' ' LYS . 0.4 OUTLIER 58.17 -81.38 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.574 -0.704 . . . . 7.21 109.773 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 319' ' ' LYS . 45.2 mtpt 59.04 146.55 0.06 OUTLIER Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 6.47 109.825 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -58.19 -156.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 121.024 1.15 . . . . 4.53 109.768 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.4 mt -79.4 146.47 32.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 4.35 109.106 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -79.44 -142.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.48 109.731 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.15 165.88 45.37 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.646 -1.381 . . . . 0.98 109.646 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -58.1 137.2 57.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -1.121 . . . . 1.7 109.458 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -93.82 158.46 15.65 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.287 -0.883 . . . . 0.61 109.644 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.83 -169.22 2.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.463 -0.773 . . . . 0.58 109.286 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.86 149.93 29.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 0.42 108.86 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -143.24 134.35 25.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.867 . . . . 0.36 109.412 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.9 132.72 34.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.677 -0.861 . . . . 1.37 108.677 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.12 113.71 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.464 -0.772 . . . . 0.47 109.488 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -74.96 143.41 43.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 2.1 109.827 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.34 137.76 7.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.031 -1.227 . . . . 0.42 110.031 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.513 HH11 ' HG2' ' A' ' 335' ' ' ARG . 1.3 ttt-85 -82.67 -44.69 15.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.395 -1.062 . . . . 2.68 109.148 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.85 -43.01 85.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.343 -0.848 . . . . 2.22 109.379 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.34 -40.62 97.81 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.28 -0.887 . . . . 2.77 109.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.92 -54.6 42.8 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.481 -0.762 . . . . 0.43 109.767 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.94 -38.74 57.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.818 . . . . 1.66 109.855 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.56 -51.61 66.7 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.271 -0.893 . . . . 0.44 110.211 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.18 -43.82 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.29 109.013 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -51.98 -42.7 63.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.218 -0.926 . . . . 2.44 109.422 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.73 -53.32 59.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.887 . . . . 1.74 109.789 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.44 -35.59 76.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.121 -0.987 . . . . 0.3 108.694 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.06 -55.62 32.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.401 -0.812 . . . . 1.22 109.45 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.306 -0.871 . . . . 1.72 109.609 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.6 -52.69 64.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.27 110.021 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.129 -0.982 . . . . 0.29 109.364 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.37 -35.68 74.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.211 -0.931 . . . . 1.91 109.429 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -63.69 -51.28 65.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.372 -0.83 . . . . 0.41 109.139 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.8 -46.06 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.811 . . . . 1.56 109.181 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.68 -33.84 68.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.603 -0.686 . . . . 1.43 109.706 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.97 84.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.87 . . . . 0.66 109.782 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.49 -4.21 55.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 1.18 109.667 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -8.49 53.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 1.23 109.598 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.97 -33.39 15.33 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.65 -1.38 . . . . 1.54 109.65 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -86.84 150.28 24.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -1.164 . . . . 4.18 109.69 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.02 154.73 2.41 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 5.71 109.041 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.43 129.67 36.41 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.222 1.281 . . . . 5.61 109.898 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.001 -1.444 . . . . 7.24 109.614 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 321' ' ' LYS . 35.6 mtmt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.51 -0.552 . . . . 7.34 109.51 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.4 OUTLIER 58.24 -81.37 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.563 -0.711 . . . . 7.17 109.759 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' B' ' 319' ' ' LYS . 45.3 mtpt 58.92 146.65 0.06 OUTLIER Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.756 -0.59 . . . . 6.44 109.734 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.7 Cg_endo -58.22 -156.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 120.944 1.096 . . . . 4.54 109.764 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.34 146.47 32.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 4.32 109.081 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.48 -143.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.207 -0.933 . . . . 2.47 109.699 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.77 165.84 44.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.682 -1.367 . . . . 0.95 109.682 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.11 137.14 57.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -1.075 . . . . 1.61 109.474 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.84 158.28 15.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.223 -0.923 . . . . 0.57 109.791 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.65 -169.14 2.4 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.53 109.318 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.85 150.05 29.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.38 108.793 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -143.25 134.38 25.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.267 -0.896 . . . . 0.36 109.414 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.89 132.74 34.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.684 -0.858 . . . . 1.36 108.684 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.2 113.7 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.493 -0.754 . . . . 0.49 109.383 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.12 143.39 43.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 2.1 109.789 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.38 137.85 7.1 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.048 -1.221 . . . . 0.44 110.048 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' B' ' 335' ' ' ARG . 1.4 ttt-85 -82.67 -44.74 15.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -1.035 . . . . 2.72 109.2 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.87 -43.13 85.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 2.21 109.28 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.19 -40.63 98.06 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.293 -0.879 . . . . 2.79 109.409 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -55.93 -54.59 42.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.445 -0.784 . . . . 0.45 109.762 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.95 -38.7 57.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 1.68 109.806 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.57 -51.7 66.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.185 -0.947 . . . . 0.43 110.093 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.17 -43.8 98.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.106 -0.996 . . . . 0.28 109.053 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.95 -42.69 63.07 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.259 -0.901 . . . . 2.52 109.442 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.72 -53.31 59.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.75 109.793 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.48 -35.49 76.02 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.166 -0.959 . . . . 0.31 108.749 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.17 -55.59 33.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.425 -0.797 . . . . 1.21 109.411 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.8 -33.01 74.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.36 -0.838 . . . . 1.69 109.624 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.6 -52.73 64.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 0.27 110.008 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.38 -44.74 96.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 0.3 109.395 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -59.31 -35.75 74.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.93 109.415 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -63.63 -51.38 65.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.4 109.181 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.68 -46.11 91.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.442 -0.786 . . . . 1.59 109.137 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.67 -33.81 68.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.678 -0.639 . . . . 1.43 109.695 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.86 84.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.9 . . . . 0.65 109.788 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.51 -4.16 55.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.19 109.674 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.33 -8.37 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.235 -0.915 . . . . 1.22 109.58 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.02 -33.44 15.07 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.525 -1.43 . . . . 1.53 109.525 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -86.89 150.21 24.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -1.146 . . . . 4.21 109.613 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -50.98 154.84 2.31 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.34 -0.85 . . . . 5.68 108.973 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.48 129.71 36.61 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.16 1.24 . . . . 5.57 109.845 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.364 0 CA-C-O 117.925 -1.486 . . . . 7.2 109.537 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' C' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.472 -0.566 . . . . 8.96 109.472 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' C' ' 321' ' ' LYS . 0.4 OUTLIER 58.2 -81.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.483 -0.761 . . . . 8.15 109.758 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' C' ' 319' ' ' LYS . 45.3 mtpt 58.98 146.61 0.06 OUTLIER Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.762 -0.586 . . . . 7.15 109.754 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.8 Cg_endo -58.28 -156.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 120.917 1.078 . . . . 4.35 109.725 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.36 146.51 32.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 4.63 109.151 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.41 -143.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 2.85 109.708 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.92 165.8 44.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.692 -1.363 . . . . 1.12 109.692 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -58.06 137.08 57.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.288 -1.125 . . . . 2.11 109.507 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -93.75 158.36 15.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.325 -0.86 . . . . 0.64 109.723 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -136.74 -169.16 2.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.49 109.311 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.91 150.05 29.62 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -0.903 . . . . 0.47 108.761 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -143.3 134.38 25.67 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.291 -0.881 . . . . 0.42 109.384 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 132.77 34.0 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.604 -0.888 . . . . 1.81 108.604 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.13 113.65 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.493 -0.755 . . . . 0.42 109.489 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.07 143.42 43.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 2.35 109.75 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.86 7.04 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.037 -1.225 . . . . 0.41 110.037 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' C' ' 335' ' ' ARG . 1.4 ttt-85 -82.73 -44.75 15.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.406 -1.055 . . . . 2.59 109.168 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.76 -43.15 85.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.54 109.338 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.31 -40.65 97.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.229 -0.92 . . . . 3.39 109.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.81 -54.63 42.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.46 -0.775 . . . . 0.47 109.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.97 -38.58 57.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.295 -0.878 . . . . 1.66 109.866 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttp -62.67 -51.61 66.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.279 -0.888 . . . . 0.61 110.154 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -43.72 98.43 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.15 -0.969 . . . . 0.33 109.028 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.07 -42.66 63.34 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.228 -0.92 . . . . 3.28 109.439 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.77 -53.26 60.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 1.78 109.744 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.44 -35.6 76.22 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.38 108.722 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.08 -55.63 32.64 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.409 -0.807 . . . . 1.2 109.387 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 2.12 109.621 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -52.74 64.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.26 109.975 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.8 mt -61.49 -44.7 96.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.4 109.334 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.29 -35.81 74.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 2.09 109.348 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.9 tt -63.65 -51.31 65.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.75 109.134 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.83 -46.02 91.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.31 -0.869 . . . . 2.19 109.139 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.71 -33.78 68.78 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.603 -0.686 . . . . 1.34 109.742 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.0 84.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.72 109.78 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.38 -4.27 55.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 1.8 109.734 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -8.38 53.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 1.39 109.619 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.05 -33.41 15.04 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.601 -1.4 . . . . 1.66 109.601 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -86.84 150.16 24.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.259 -1.142 . . . . 4.45 109.661 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.88 154.74 2.31 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.284 -0.885 . . . . 6.19 109.011 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.47 129.74 36.77 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.152 1.235 . . . . 5.58 109.845 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 117.992 -1.449 . . . . 6.9 109.613 179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.46 -0.57 . . . . 7.36 109.46 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' D' ' 321' ' ' LYS . 0.4 OUTLIER 58.19 -81.32 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 7.15 109.751 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' D' ' 319' ' ' LYS . 45.3 mtpt 58.95 146.61 0.06 OUTLIER Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.779 -0.575 . . . . 6.5 109.802 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.23 -156.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 120.977 1.118 . . . . 4.5 109.733 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 146.53 32.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 4.32 109.105 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 -143.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.207 -0.933 . . . . 2.46 109.64 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.95 165.88 44.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.708 -1.357 . . . . 0.97 109.708 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.14 137.07 57.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.244 -1.151 . . . . 1.67 109.474 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -93.63 158.41 15.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.283 -0.886 . . . . 0.61 109.803 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -136.79 -169.14 2.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.393 -0.817 . . . . 0.56 109.336 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.99 149.86 29.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.259 -0.901 . . . . 0.43 108.748 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -143.13 134.43 26.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.874 . . . . 0.35 109.479 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -86.04 132.75 33.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.668 -0.864 . . . . 1.37 108.668 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.12 113.68 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.474 -0.766 . . . . 0.48 109.452 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.01 143.38 43.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 2.08 109.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.35 137.77 7.04 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.026 -1.23 . . . . 0.4 110.026 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.524 HH11 ' HG2' ' D' ' 335' ' ' ARG . 1.4 ttt-85 -82.56 -44.83 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.447 -1.031 . . . . 2.64 109.153 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.82 -43.04 85.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -0.849 . . . . 2.22 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.37 -40.59 97.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.301 -0.874 . . . . 2.74 109.336 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -55.93 -54.61 42.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.747 . . . . 0.43 109.835 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.81 -38.77 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.69 109.903 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.55 -51.69 66.39 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 0.43 110.141 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.15 -43.81 98.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.1 -1.0 . . . . 0.27 108.96 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.0 -42.6 63.12 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.28 -0.888 . . . . 2.45 109.538 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.83 -53.24 60.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 1.75 109.804 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.48 -35.55 76.18 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.243 -0.911 . . . . 0.31 108.735 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.02 -55.68 32.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.386 -0.821 . . . . 1.22 109.453 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.79 -33.0 74.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 1.73 109.681 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -52.6 64.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.367 -0.833 . . . . 0.28 110.001 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.31 109.347 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.31 -35.73 74.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -0.887 . . . . 1.91 109.381 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.502 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.9 tt -63.68 -51.41 65.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.407 -0.808 . . . . 0.43 109.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.74 -46.01 91.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.346 -0.846 . . . . 1.57 109.179 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.61 -33.98 68.79 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.66 -0.65 . . . . 1.44 109.75 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.0 85.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.64 109.783 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.45 -4.25 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.149 -0.969 . . . . 1.21 109.707 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -8.4 53.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.135 -0.978 . . . . 1.22 109.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.05 -33.47 14.9 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.547 -1.421 . . . . 1.5 109.547 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -86.83 150.23 24.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.191 -1.182 . . . . 4.18 109.65 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.06 154.8 2.41 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.28 -0.887 . . . . 5.67 109.007 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.38 129.66 36.4 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 121.113 1.208 . . . . 5.65 109.981 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.941 -1.477 . . . . 7.27 109.568 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.487 -0.56 . . . . 7.33 109.487 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 54.61 69.33 0.74 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.336 -0.853 . . . . 7.21 109.453 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' A' ' 323' ' ' LEU . 61.0 mttm 52.06 83.34 0.23 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 6.47 109.228 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.83 2.76 0.51 Allowed 'Trans proline' 0 C--N 1.321 -0.868 0 C-N-CA 121.144 1.229 . . . . 4.53 110.285 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.4 mt -82.18 93.27 7.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.045 -1.034 . . . . 4.35 108.865 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.56 112.33 19.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.534 -0.729 . . . . 2.48 109.969 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.23 149.7 47.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.159 -1.577 . . . . 0.98 109.159 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -59.72 125.31 23.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -1.163 . . . . 1.7 109.566 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 34.1 m-85 -94.13 147.99 22.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.222 -0.924 . . . . 0.61 109.351 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -136.05 -172.95 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.349 -0.844 . . . . 0.58 109.513 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.6 p -150.29 148.47 28.9 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.42 108.759 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.74 136.08 33.79 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.319 -0.863 . . . . 0.36 109.761 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.75 127.65 34.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.654 -0.869 . . . . 1.37 108.654 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.86 111.48 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.478 -0.764 . . . . 0.47 109.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.533 ' NH2' ' H ' ' C' ' 325' ' ' GLY . 59.6 ttt180 -73.84 151.95 40.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.727 . . . . 2.1 109.618 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.93 127.06 1.93 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.761 -1.336 . . . . 0.42 109.761 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.57 -36.45 44.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.278 -1.13 . . . . 2.68 109.24 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.18 -50.64 72.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 2.22 109.483 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.472 ' HG3' HH11 ' A' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.3 87.15 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.215 -0.928 . . . . 2.77 109.75 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -50.99 -53.46 33.0 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.296 -0.878 . . . . 0.43 109.172 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -55.47 -37.13 67.38 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.403 -0.81 . . . . 1.66 109.246 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.39 -52.92 59.62 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 0.44 110.411 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.108 -0.995 . . . . 0.29 109.286 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.27 -42.52 61.15 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.14 -0.975 . . . . 2.44 109.56 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.7 -44.74 93.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.276 -0.89 . . . . 1.74 110.133 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.49 -42.6 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.049 -1.032 . . . . 0.3 109.394 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.59 -49.04 78.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.907 . . . . 1.22 109.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.16 -40.81 98.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.72 110.278 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.9 -59.01 5.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.27 110.154 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.8 -40.16 91.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.278 -0.889 . . . . 0.29 109.475 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -61.01 -36.84 80.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 1.91 108.959 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.01 -47.82 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.41 108.981 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.24 66.29 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.868 0.842 . . . . 1.56 109.058 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.71 -32.69 63.54 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.807 -0.558 . . . . 1.43 109.823 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.94 79.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.153 -0.967 . . . . 0.66 109.599 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -81.71 -2.55 50.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 1.18 109.669 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.95 4.03 1.72 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.165 -0.959 . . . . 1.23 109.719 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 -22.94 50.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.407 -1.477 . . . . 1.54 109.407 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -87.51 163.44 16.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -1.163 . . . . 4.18 109.168 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.41 151.34 3.93 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 5.71 109.018 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.91 165.88 4.51 Favored 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.17 1.247 . . . . 5.61 109.852 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.018 -1.435 . . . . 7.24 109.515 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.446 -0.575 . . . . 7.34 109.446 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.58 69.37 0.73 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 7.17 109.465 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' B' ' 323' ' ' LEU . 61.0 mttm 52.07 83.38 0.23 Allowed Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 6.44 109.189 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -61.89 2.73 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.866 0 C-N-CA 121.085 1.19 . . . . 4.54 110.359 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.4 mt -82.18 93.3 7.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.088 -1.007 . . . . 4.32 108.882 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.44 112.44 19.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.477 -0.765 . . . . 2.47 109.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' H ' ' NH2' ' D' ' 333' ' ' ARG . . . -70.53 149.73 47.24 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.155 -1.578 . . . . 0.95 109.155 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.76 125.3 23.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -1.158 . . . . 1.61 109.572 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.52 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 34.8 m-85 -94.03 147.91 22.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.287 -0.883 . . . . 0.57 109.484 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -136.0 -172.94 3.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.249 -0.907 . . . . 0.53 109.478 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -150.34 148.37 28.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.301 -0.875 . . . . 0.38 108.769 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.69 136.02 33.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.343 -0.848 . . . . 0.36 109.74 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.67 127.62 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.684 -0.858 . . . . 1.36 108.684 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.79 111.41 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.457 -0.777 . . . . 0.49 109.227 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.551 ' NH2' ' H ' ' D' ' 325' ' ' GLY . 59.5 ttt180 -73.8 151.92 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.478 -0.764 . . . . 2.1 109.65 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.96 127.22 1.96 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.772 -1.331 . . . . 0.44 109.772 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.79 -36.46 42.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -1.161 . . . . 2.72 109.178 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.12 -50.71 72.63 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.261 -0.899 . . . . 2.21 109.449 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.472 ' HG3' HH11 ' B' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.283 -0.886 . . . . 2.79 109.779 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -51.13 -53.3 35.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.373 -0.83 . . . . 0.45 109.198 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.51 -37.18 67.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.331 -0.856 . . . . 1.68 109.173 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.36 -52.85 60.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.547 -0.721 . . . . 0.43 110.427 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.89 -45.89 91.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.088 -1.008 . . . . 0.28 109.21 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.21 -42.57 61.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.268 -0.895 . . . . 2.52 109.613 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.55 -44.8 93.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 1.75 110.23 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.54 -42.56 96.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.31 109.446 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -58.47 -49.18 78.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.21 109.649 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.99 -40.92 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.864 . . . . 1.69 110.314 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.89 -58.96 6.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.27 110.133 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.86 -40.17 91.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.315 -0.866 . . . . 0.3 109.434 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.93 -36.86 80.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.064 -1.023 . . . . 1.93 109.05 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.03 -47.89 81.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.4 108.987 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.49 -51.3 66.18 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.861 0.839 . . . . 1.59 108.978 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -55.78 -32.61 63.62 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.762 -0.586 . . . . 1.43 109.748 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.89 79.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.65 109.563 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -81.83 -2.46 51.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 1.19 109.631 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 4.07 1.76 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 1.22 109.631 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 -22.83 50.16 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.391 -1.484 . . . . 1.53 109.391 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -87.58 163.51 16.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -1.144 . . . . 4.21 109.108 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.48 151.36 3.99 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.129 -0.982 . . . . 5.68 108.976 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.86 165.91 4.43 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.099 1.2 . . . . 5.57 109.834 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.983 -1.454 . . . . 7.2 109.518 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.468 -0.568 . . . . 8.96 109.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.62 69.17 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 8.15 109.462 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' C' ' 323' ' ' LEU . 61.2 mttm 52.24 83.36 0.23 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 7.15 109.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -61.81 2.71 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.138 1.225 . . . . 4.35 110.331 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.4 mt -82.24 93.33 7.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.972 -1.08 . . . . 4.63 108.948 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.52 112.27 19.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.494 -0.754 . . . . 2.85 109.979 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.533 ' H ' ' NH2' ' A' ' 333' ' ' ARG . . . -70.21 149.68 47.67 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.203 -1.559 . . . . 1.12 109.203 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.73 125.31 23.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -1.125 . . . . 2.11 109.573 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 34.4 m-85 -94.08 147.9 22.69 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.273 -0.892 . . . . 0.64 109.431 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -135.98 -172.91 3.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.358 -0.839 . . . . 0.49 109.541 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -150.31 148.48 28.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.235 -0.915 . . . . 0.47 108.773 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.1 tp -139.75 136.05 33.73 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.379 -0.826 . . . . 0.42 109.774 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.65 127.68 34.56 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.692 -0.855 . . . . 1.81 108.692 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 111.34 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.513 -0.742 . . . . 0.42 109.217 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.513 ' NH2' ' H ' ' A' ' 325' ' ' GLY . 59.4 ttt180 -73.69 151.96 40.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.546 -0.721 . . . . 2.35 109.571 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.85 127.12 1.91 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.761 -1.336 . . . . 0.41 109.761 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.64 -36.5 43.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.246 -1.15 . . . . 2.59 109.239 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.18 -50.64 72.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.228 -0.92 . . . . 2.54 109.439 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.471 HH11 ' HG3' ' C' ' 337' ' ' ARG . 23.3 ttm-85 -64.87 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.243 -0.911 . . . . 3.39 109.747 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.43 33.2 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.47 109.228 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -55.46 -37.18 67.41 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.331 -0.856 . . . . 1.66 109.227 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.32 -52.9 60.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.402 -0.811 . . . . 0.61 110.448 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.87 -45.87 91.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.089 -1.007 . . . . 0.33 109.244 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.18 -42.59 60.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.169 -0.957 . . . . 3.28 109.632 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.59 -44.79 93.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.311 -0.868 . . . . 1.78 110.161 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.56 -42.6 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.955 . . . . 0.38 109.335 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.14 78.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.226 -0.921 . . . . 1.2 109.638 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.05 -40.78 98.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 2.12 110.374 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.87 -59.04 5.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 0.26 110.158 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.82 -40.12 91.59 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.328 -0.858 . . . . 0.4 109.476 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -60.93 -36.89 80.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.014 -1.054 . . . . 2.09 109.009 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.9 81.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.348 -0.845 . . . . 0.75 108.929 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.53 -51.24 66.33 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.784 0.802 . . . . 2.19 108.957 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -55.8 -32.62 63.67 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.84 -0.538 . . . . 1.34 109.831 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.95 79.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 0.72 109.58 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.497 ' OE1' ' NE2' ' D' ' 354' ' ' GLN . 17.6 mt-30 -81.72 -2.58 51.1 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 1.8 109.619 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.0 4.14 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.39 109.698 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 -22.77 50.13 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.384 -1.486 . . . . 1.66 109.384 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -87.59 163.47 16.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -1.139 . . . . 4.45 109.096 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.43 151.35 3.94 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.103 -0.998 . . . . 6.19 109.03 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.91 165.9 4.49 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.035 1.157 . . . . 5.58 109.869 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.507 -1.437 . . . . 6.9 109.507 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.315 0.579 . . . . 7.36 109.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 55.8 mttm 54.59 69.26 0.74 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.896 . . . . 7.15 109.521 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' D' ' 323' ' ' LEU . 61.0 mttm 52.11 83.31 0.23 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.962 . . . . 6.5 109.191 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.73 2.71 0.5 Allowed 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.204 1.269 . . . . 4.5 110.348 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.6 mt -82.28 93.29 7.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.034 -1.041 . . . . 4.32 108.879 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.46 112.37 19.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.474 -0.767 . . . . 2.46 109.99 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.551 ' H ' ' NH2' ' B' ' 333' ' ' ARG . . . -70.35 149.75 47.55 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.214 -1.554 . . . . 0.97 109.214 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.76 125.34 23.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -1.084 . . . . 1.67 109.549 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 34.3 m-85 -94.05 147.95 22.64 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.916 . . . . 0.61 109.468 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 -173.01 3.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.289 -0.882 . . . . 0.56 109.549 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -150.34 148.39 28.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.863 . . . . 0.43 108.782 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.68 136.21 34.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 0.35 109.671 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -85.78 127.64 34.6 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.615 -0.883 . . . . 1.37 108.615 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.2 mt -123.81 111.43 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.513 -0.742 . . . . 0.48 109.225 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.559 ' NH2' ' H ' ' B' ' 325' ' ' GLY . 59.5 ttt180 -73.81 151.99 40.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 2.08 109.622 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 127.17 1.92 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.801 -1.32 . . . . 0.4 109.801 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.66 -36.54 43.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -1.136 . . . . 2.64 109.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.15 -50.63 72.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.247 -0.908 . . . . 2.22 109.468 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' D' ' 337' ' ' ARG . 23.1 ttm-85 -64.84 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.275 -0.89 . . . . 2.74 109.794 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.4 33.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.427 -0.796 . . . . 0.43 109.287 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.47 -37.1 67.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.297 -0.877 . . . . 1.69 109.296 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.37 -52.91 59.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.395 -0.816 . . . . 0.43 110.435 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.093 -1.004 . . . . 0.27 109.312 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.54 61.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.146 -0.971 . . . . 2.45 109.631 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.71 -44.7 93.6 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 1.75 110.142 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.55 -42.55 96.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.31 109.408 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.17 78.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.3 -0.875 . . . . 1.22 109.625 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.04 -40.86 98.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 1.73 110.345 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.78 -59.14 5.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 0.28 110.091 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.69 -40.21 91.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.31 109.511 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -61.02 -36.79 80.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.108 -0.995 . . . . 1.91 109.029 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.83 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.43 108.981 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.35 65.83 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.86 0.838 . . . . 1.57 108.973 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.69 -32.63 63.45 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.774 -0.579 . . . . 1.44 109.843 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.98 79.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.64 109.547 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.497 ' NE2' ' OE1' ' C' ' 354' ' ' GLN . 73.2 mt-30 -81.79 -2.52 51.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.898 . . . . 1.21 109.639 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.95 4.08 1.7 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.883 . . . . 1.22 109.664 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 -22.83 50.26 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.441 -1.464 . . . . 1.5 109.441 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -87.55 163.49 16.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 4.18 109.112 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -50.42 151.34 3.93 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 5.67 109.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.85 165.82 4.51 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.14 1.227 . . . . 5.65 109.882 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.468 -1.453 . . . . 7.27 109.468 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.539 -0.541 . . . . 7.33 109.539 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 53.1 tttm 56.34 66.5 1.18 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.91 . . . . 7.21 109.624 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 53.82 67.18 3.76 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.322 -0.861 . . . . 6.47 109.954 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.99 152.47 79.23 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 121.423 1.416 . . . . 4.53 109.711 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.35 103.2 10.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.139 -0.976 . . . . 4.35 109.117 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.38 142.15 33.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 2.48 109.695 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.91 167.54 45.54 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.291 -1.524 . . . . 0.98 109.291 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -58.62 139.81 55.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -1.206 . . . . 1.7 109.543 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.09 157.78 16.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.28 -0.887 . . . . 0.61 109.39 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.05 -171.67 3.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.381 -0.825 . . . . 0.58 109.241 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -152.01 147.16 26.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.186 -0.946 . . . . 0.42 108.783 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.59 132.77 26.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.36 109.65 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.0 130.76 34.57 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.591 -0.892 . . . . 1.37 108.591 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.51 116.73 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.546 -0.721 . . . . 0.47 109.51 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.34 149.82 40.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.679 -0.638 . . . . 2.1 109.645 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.4 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.136 -1.185 . . . . 0.42 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -84.27 -45.66 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -1.125 . . . . 2.68 109.327 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.9 -42.16 84.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 2.22 109.078 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.59 -43.81 97.88 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.227 -0.921 . . . . 2.77 108.974 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.66 -53.7 53.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.635 -0.665 . . . . 0.43 109.692 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.89 -39.66 59.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.384 -0.823 . . . . 1.66 110.062 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.63 -49.81 73.71 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.222 -0.924 . . . . 0.44 110.252 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.0 -41.49 96.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 0.29 109.112 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.09 -44.04 64.19 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.24 -0.912 . . . . 2.44 109.651 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.21 -53.59 55.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 1.74 109.937 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.87 -37.74 80.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.124 -0.985 . . . . 0.3 108.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.416 ' O ' ' OE1' ' A' ' 349' ' ' GLU . 22.7 t-20 -59.76 -56.91 15.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.364 -0.835 . . . . 1.22 109.568 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.86 71.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 1.72 110.125 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -46.37 86.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.27 109.856 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.93 -51.01 68.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.29 109.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 345' ' ' ASN . 2.8 mp0 -57.06 -34.13 67.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 1.91 109.558 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.21 -46.77 85.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.125 -0.984 . . . . 0.41 108.945 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.61 -52.3 61.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.375 -0.828 . . . . 1.56 108.944 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.05 -30.94 66.56 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.638 -0.664 . . . . 1.43 109.61 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.14 84.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.197 -0.939 . . . . 0.66 110.008 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -81.61 -7.06 59.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.165 -0.959 . . . . 1.18 109.852 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.39 -20.32 61.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 1.23 109.366 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 40.99 3.03 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.637 -1.385 . . . . 1.54 109.637 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.2 18.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.117 -1.225 . . . . 4.18 109.601 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 164.02 0.54 Allowed Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.395 -0.816 . . . . 5.71 108.903 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.32 147.01 79.71 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 121.419 1.413 . . . . 5.61 109.767 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.491 -1.444 . . . . 7.24 109.491 179.874 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.445 -0.576 . . . . 7.34 109.445 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 53.3 tttm 56.34 66.44 1.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.323 -0.86 . . . . 7.17 109.673 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 53.88 67.23 3.7 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 6.44 109.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.01 152.45 79.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.468 1.445 . . . . 4.54 109.72 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.3 103.22 10.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.963 . . . . 4.32 109.15 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.41 142.14 33.26 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 2.47 109.643 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.94 167.62 45.52 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.217 -1.553 . . . . 0.95 109.217 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.7 139.89 55.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.218 -1.166 . . . . 1.61 109.574 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.13 157.74 16.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.57 109.386 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.55 2.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -0.801 . . . . 0.53 109.212 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.1 147.51 26.55 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.287 -0.883 . . . . 0.38 108.742 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.93 132.68 25.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 0.36 109.642 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -85.09 130.81 34.55 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.493 -0.928 . . . . 1.36 108.493 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.4 mt -123.62 116.65 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.459 -0.776 . . . . 0.49 109.456 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.25 149.8 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.596 -0.69 . . . . 2.1 109.711 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.39 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.124 -1.19 . . . . 0.44 110.124 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -84.25 -45.63 12.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -1.086 . . . . 2.72 109.35 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.04 -41.99 84.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 2.21 109.031 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.67 -43.86 97.74 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.33 -0.856 . . . . 2.79 108.939 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.66 -53.73 52.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.61 -0.681 . . . . 0.45 109.652 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.76 59.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 1.68 110.038 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.5 ttp -62.61 -49.78 73.85 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.43 110.216 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -41.53 96.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.133 -0.979 . . . . 0.28 109.134 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.18 -43.89 64.37 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.19 -0.944 . . . . 2.52 109.718 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.21 -53.66 55.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 1.75 109.903 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.19 -0.943 . . . . 0.31 108.82 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' B' ' 349' ' ' GLU . 22.6 t-20 -59.82 -56.87 16.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.43 -0.794 . . . . 1.21 109.522 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.42 -31.84 71.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.307 -0.871 . . . . 1.69 110.031 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -46.37 87.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.27 109.915 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.91 -51.17 67.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.3 109.817 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 345' ' ' ASN . 2.8 mp0 -56.81 -34.22 67.48 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.079 -1.013 . . . . 1.93 109.586 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.29 -46.7 85.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.021 -1.049 . . . . 0.4 108.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.69 -52.16 61.87 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.426 -0.796 . . . . 1.59 108.991 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.04 -31.04 66.64 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.71 -0.619 . . . . 1.43 109.604 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.15 84.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.65 110.002 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.67 -7.05 59.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.179 -0.951 . . . . 1.19 109.828 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -20.32 61.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 1.22 109.351 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 40.95 3.03 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.655 -1.378 . . . . 1.53 109.655 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -86.22 109.23 18.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.198 -1.178 . . . . 4.21 109.674 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.56 164.01 0.55 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.254 -0.903 . . . . 5.68 108.912 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -57.39 146.93 80.66 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 121.387 1.391 . . . . 5.57 109.86 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.492 -1.443 . . . . 7.2 109.492 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.458 -0.571 . . . . 8.96 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 56.35 66.56 1.16 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.285 -0.884 . . . . 8.15 109.638 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 53.73 67.25 3.74 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 7.15 109.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.01 152.42 79.58 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.444 1.429 . . . . 4.35 109.7 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.24 103.27 10.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.134 -0.979 . . . . 4.63 109.141 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.39 142.13 33.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.415 -0.803 . . . . 2.85 109.681 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 167.6 45.66 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.233 -1.547 . . . . 1.12 109.233 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.72 139.84 55.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -1.202 . . . . 2.11 109.567 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.06 157.7 16.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -0.889 . . . . 0.64 109.414 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.04 -171.69 3.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.448 -0.782 . . . . 0.49 109.233 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.95 147.36 26.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.306 -0.871 . . . . 0.47 108.738 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.77 132.69 25.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.338 -0.852 . . . . 0.42 109.657 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -84.93 130.79 34.58 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.566 -0.901 . . . . 1.81 108.566 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.5 mt -123.59 116.7 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.461 -0.774 . . . . 0.42 109.451 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.3 149.89 40.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.577 -0.702 . . . . 2.35 109.691 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 138.36 2.87 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.184 -1.166 . . . . 0.41 110.184 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -84.27 -45.63 12.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.421 -1.047 . . . . 2.59 109.36 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.99 -42.17 84.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 2.54 109.034 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.62 -43.8 97.9 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.37 -0.831 . . . . 3.39 108.899 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.63 -53.72 52.97 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.627 -0.671 . . . . 0.47 109.668 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.77 59.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.313 -0.867 . . . . 1.66 110.02 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.64 -49.78 73.83 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.164 -0.96 . . . . 0.61 110.233 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.04 -41.49 96.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.069 -1.019 . . . . 0.33 109.081 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.1 -44.02 64.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 3.28 109.685 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.05 -53.72 54.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 1.78 109.918 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.83 -37.77 80.15 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.16 -0.962 . . . . 0.38 108.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' C' ' 349' ' ' GLU . 22.7 t-20 -59.77 -56.88 16.36 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.392 -0.818 . . . . 1.2 109.54 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.81 71.74 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 2.12 110.078 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -46.43 86.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.26 109.889 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.85 -51.24 67.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.4 109.824 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' C' ' 345' ' ' ASN . 2.8 mp0 -56.84 -34.17 67.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 2.09 109.537 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.33 -46.73 85.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.066 -1.021 . . . . 0.75 108.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.55 -52.28 61.8 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.438 -0.788 . . . . 2.19 109.018 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.91 -31.06 66.41 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.693 -0.629 . . . . 1.34 109.633 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.08 83.93 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.219 -0.926 . . . . 0.72 109.988 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -81.69 -6.97 59.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 1.8 109.836 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -20.33 61.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.185 -0.947 . . . . 1.39 109.359 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 40.93 3.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.637 -1.385 . . . . 1.66 109.637 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.23 18.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.136 -1.214 . . . . 4.45 109.578 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.55 164.03 0.55 Allowed Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 121.3 -0.875 . . . . 6.19 108.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.38 147.08 79.71 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 121.36 1.373 . . . . 5.58 109.765 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.486 -1.446 . . . . 6.9 109.486 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.56 -0.533 . . . . 7.36 109.56 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 56.3 66.51 1.18 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.318 -0.864 . . . . 7.15 109.644 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 80.2 tttt 53.83 67.13 3.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.28 -0.887 . . . . 6.5 109.956 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.99 152.43 79.42 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 121.373 1.382 . . . . 4.5 109.795 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.24 103.24 9.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 4.32 109.17 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -81.37 142.18 33.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 2.46 109.701 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 167.64 45.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.243 -1.543 . . . . 0.97 109.243 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 139.74 55.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.155 -1.203 . . . . 1.67 109.608 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.01 157.69 16.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.61 109.383 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.6 2.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.56 109.244 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -152.02 147.51 26.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.271 -0.893 . . . . 0.43 108.799 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.9 tp -141.88 132.76 25.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.326 -0.859 . . . . 0.35 109.651 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.12 130.78 34.55 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.493 -0.928 . . . . 1.37 108.493 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.64 116.7 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.472 -0.768 . . . . 0.48 109.448 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.33 149.79 40.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.66 -0.65 . . . . 2.08 109.714 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 138.47 2.92 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.147 -1.181 . . . . 0.4 110.147 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -84.19 -45.74 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -1.097 . . . . 2.64 109.351 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.87 -42.17 83.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.22 109.054 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.63 -43.84 97.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 2.74 108.882 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.72 -53.7 53.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.645 -0.659 . . . . 0.43 109.605 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.84 -39.78 59.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.86 . . . . 1.69 110.02 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.242 -0.911 . . . . 0.43 110.167 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.0 -41.43 96.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.971 . . . . 0.27 109.124 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.14 -43.99 64.32 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.285 -0.884 . . . . 2.45 109.69 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.11 -53.71 54.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.192 -0.943 . . . . 1.75 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.87 -37.79 80.34 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.31 108.825 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' D' ' 349' ' ' GLU . 22.7 t-20 -59.78 -56.94 15.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.431 -0.793 . . . . 1.22 109.489 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.3 -31.93 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.73 110.088 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.43 -46.47 86.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.28 109.938 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.89 -50.96 68.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.192 -0.943 . . . . 0.31 109.902 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 345' ' ' ASN . 2.8 mp0 -57.11 -34.05 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 1.91 109.547 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.24 -46.83 85.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.007 -1.058 . . . . 0.43 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.62 -52.16 62.07 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.442 -0.786 . . . . 1.57 108.984 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.06 -30.91 66.56 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.659 -0.651 . . . . 1.44 109.637 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.1 83.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.312 -0.867 . . . . 0.64 109.983 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -81.64 -7.1 59.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 1.21 109.801 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.35 -20.4 61.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.05 -1.031 . . . . 1.22 109.388 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 40.94 3.03 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.602 -1.399 . . . . 1.5 109.602 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.3 18.88 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.216 -1.167 . . . . 4.18 109.567 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 164.01 0.55 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 5.67 108.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.41 147.05 80.16 Favored 'Trans proline' 0 C--N 1.32 -0.945 0 C-N-CA 121.315 1.343 . . . . 5.65 109.792 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.975 -1.459 . . . . 7.27 109.503 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.5 -0.556 . . . . 7.33 109.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.35 63.33 2.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.32 -0.863 . . . . 7.21 109.703 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 323' ' ' LEU . 78.0 mttt 54.32 68.6 2.6 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 6.47 109.777 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.51 14.98 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.557 1.505 . . . . 4.53 110.344 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.0 mt -79.73 109.41 14.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.928 -1.107 . . . . 4.35 109.469 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -81.47 -157.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.841 . . . . 2.48 109.787 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.22 -178.05 18.09 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.894 -1.282 . . . . 0.98 109.894 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.96 136.56 58.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -1.039 . . . . 1.7 109.741 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.06 157.89 15.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.261 -0.9 . . . . 0.61 109.677 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.58 109.122 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.8 p -96.01 160.63 14.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.28 -0.888 . . . . 0.42 109.2 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.31 135.81 20.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.36 110.105 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.7 130.34 34.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 1.37 108.887 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.84 114.25 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 CA-C-O 121.576 0.703 . . . . 0.47 109.436 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -76.26 146.29 39.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 2.1 110.008 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.68 6.97 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.537 -1.025 . . . . 0.42 110.537 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.421 ' O ' ' OE2' ' A' ' 339' ' ' GLU . 27.6 ttm180 -85.2 -45.78 11.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.403 -1.057 . . . . 2.68 109.31 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.6 80.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 2.22 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.44 -0.787 . . . . 2.77 109.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -54.29 -59.48 4.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.378 -0.826 . . . . 0.43 110.341 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 339' ' ' GLU . 4.9 mp0 -51.56 -34.83 38.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.137 -0.977 . . . . 1.66 110.021 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.53 -52.54 57.19 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.211 -0.93 . . . . 0.44 110.219 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.48 -45.22 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.29 108.982 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.99 -43.94 60.78 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.376 -0.828 . . . . 2.44 109.532 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.55 -48.21 82.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 1.74 109.941 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.51 -41.55 97.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.3 109.329 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.59 -51.0 71.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 1.22 109.538 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.14 -36.87 85.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.865 . . . . 1.72 109.708 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.9 -49.09 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.898 . . . . 0.27 109.928 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -48.0 82.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.29 109.489 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.76 72.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.289 -0.882 . . . . 1.91 109.619 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.04 -50.38 68.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.41 109.346 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.16 -47.32 80.3 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.407 -0.808 . . . . 1.56 109.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.77 -35.28 72.52 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.593 -0.692 . . . . 1.43 109.645 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -48.12 68.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.66 109.88 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.4 ' OE1' ' OE1' ' B' ' 354' ' ' GLN . 22.6 mt-30 -81.66 -2.93 52.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.34 -0.85 . . . . 1.18 109.983 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -9.79 58.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 1.23 109.493 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 26.64 5.61 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.697 -1.361 . . . . 1.54 109.697 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.6 38.85 0.76 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.165 -1.197 . . . . 4.18 109.469 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.05 153.69 3.02 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.28 -0.887 . . . . 5.71 109.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.26 132.22 50.96 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 C-N-CA 121.034 1.156 . . . . 5.61 109.861 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 CA-C-O 117.966 -1.463 . . . . 7.24 109.531 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.492 -0.558 . . . . 7.34 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.26 63.4 2.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.305 -0.872 . . . . 7.17 109.661 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' B' ' 323' ' ' LEU . 78.1 mttt 54.37 68.52 2.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.33 -0.856 . . . . 6.44 109.758 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.42 15.01 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.525 1.483 . . . . 4.54 110.409 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.0 mt -79.83 109.38 14.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.957 -1.09 . . . . 4.32 109.464 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -81.44 -157.36 0.17 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.382 -0.824 . . . . 2.47 109.794 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.33 -178.17 18.96 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.898 -1.281 . . . . 0.95 109.898 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -59.86 136.61 58.06 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.46 -1.023 . . . . 1.61 109.815 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -95.99 157.93 15.67 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.212 -0.93 . . . . 0.57 109.703 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.27 139.15 33.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.362 -0.836 . . . . 0.53 109.045 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -95.87 160.58 14.4 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.879 . . . . 0.38 109.194 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.4 tp -148.3 135.86 20.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.36 110.025 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.63 130.4 34.58 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.806 -0.813 . . . . 1.36 108.806 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.8 mt -123.88 114.32 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 CA-C-O 121.539 0.685 . . . . 0.49 109.448 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.27 146.3 39.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.561 -0.712 . . . . 2.1 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.58 6.9 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.579 -1.009 . . . . 0.44 110.579 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' B' ' 339' ' ' GLU . 27.6 ttm180 -85.12 -45.81 11.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 2.72 109.339 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.89 -42.59 80.11 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.088 -1.008 . . . . 2.21 109.236 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.09 -39.09 93.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.45 -0.781 . . . . 2.79 109.892 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.45 -59.39 4.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.801 . . . . 0.45 110.371 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.9 mp0 -51.53 -34.91 38.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.112 -0.992 . . . . 1.68 109.965 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.52 -52.56 57.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.246 -0.908 . . . . 0.43 110.211 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.46 -45.2 95.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.134 -0.979 . . . . 0.28 109.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.03 -43.91 60.98 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.393 -0.817 . . . . 2.52 109.547 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -60.49 -48.26 82.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 1.75 109.96 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.51 -41.53 97.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.95 . . . . 0.31 109.311 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -51.07 71.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 1.21 109.424 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.05 -36.82 84.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 1.69 109.712 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -49.05 79.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 0.27 109.876 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.83 -47.99 82.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 0.3 109.51 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.81 72.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.229 -0.92 . . . . 1.93 109.602 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.04 -50.44 68.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.4 109.339 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.34 80.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.441 -0.787 . . . . 1.59 109.097 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.8 -35.11 72.31 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.581 -0.699 . . . . 1.43 109.771 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -48.02 68.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.65 109.903 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.4 ' OE1' ' OE1' ' A' ' 354' ' ' GLN . 22.6 mt-30 -81.69 -2.92 52.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 1.19 109.983 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.29 -9.84 58.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.131 -0.981 . . . . 1.22 109.405 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 26.65 5.59 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.697 -1.361 . . . . 1.53 109.697 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.57 38.76 0.76 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -1.185 . . . . 4.21 109.456 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.98 153.71 2.92 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 5.68 108.989 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.32 132.26 51.19 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.014 1.142 . . . . 5.57 109.809 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.992 -1.449 . . . . 7.2 109.52 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 83.2 mttt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.493 -0.558 . . . . 8.96 109.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp 52.42 63.39 2.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 8.15 109.591 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' C' ' 323' ' ' LEU . 78.1 mttt 54.3 68.48 2.69 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.309 -0.869 . . . . 7.15 109.806 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.38 14.92 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.593 1.529 . . . . 4.35 110.346 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.0 mt -79.71 109.47 14.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.004 -1.06 . . . . 4.63 109.473 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -81.51 -157.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 2.85 109.732 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.3 -178.12 18.7 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.825 -1.31 . . . . 1.12 109.825 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.87 136.49 58.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.4 -1.059 . . . . 2.11 109.811 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.98 157.96 15.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.181 -0.949 . . . . 0.64 109.607 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.25 139.29 33.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.319 -0.863 . . . . 0.49 109.086 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -95.93 160.7 14.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.268 -0.895 . . . . 0.47 109.189 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.4 135.78 20.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.42 110.061 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.65 130.4 34.58 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.799 -0.815 . . . . 1.81 108.799 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.9 114.21 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.516 -0.74 . . . . 0.42 109.416 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.2 146.27 39.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.699 . . . . 2.35 110.094 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 140.62 6.94 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.561 -1.015 . . . . 0.41 110.561 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' C' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.74 11.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.46 -1.024 . . . . 2.59 109.352 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.59 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 2.54 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.16 -39.05 93.54 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.473 -0.767 . . . . 3.39 109.836 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -54.37 -59.53 4.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.47 110.334 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' C' ' 339' ' ' GLU . 4.9 mp0 -51.48 -34.92 37.73 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.209 -0.932 . . . . 1.66 109.99 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.49 -52.54 57.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.253 -0.904 . . . . 0.61 110.224 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -45.18 95.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.113 -0.992 . . . . 0.33 109.003 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -50.99 -43.91 60.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.854 . . . . 3.28 109.606 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.52 -48.19 82.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 1.78 109.976 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.56 -41.56 97.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.38 109.311 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -50.92 72.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 1.2 109.512 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -63.2 -36.88 85.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 2.12 109.669 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.98 -48.99 79.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.223 -0.923 . . . . 0.26 109.929 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -47.99 82.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -0.983 . . . . 0.4 109.491 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.23 -34.79 72.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.915 . . . . 2.09 109.572 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.417 HD11 HE22 ' D' ' 354' ' ' GLN . 39.7 tp -64.02 -50.37 68.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.322 -0.861 . . . . 0.75 109.391 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.29 80.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.337 -0.852 . . . . 2.19 109.142 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.81 -35.22 72.51 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.524 -0.735 . . . . 1.34 109.728 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.06 68.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.72 109.867 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.482 HE22 HD11 ' D' ' 350' ' ' LEU . 22.7 mt-30 -81.67 -2.81 51.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 1.8 109.972 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.37 -9.81 58.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 1.39 109.454 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 26.7 5.57 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.698 -1.361 . . . . 1.66 109.698 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -85.7 38.9 0.77 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -1.193 . . . . 4.45 109.391 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.07 153.71 3.04 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 6.19 108.961 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.28 132.21 50.9 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.108 1.205 . . . . 5.58 109.823 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.542 -1.423 . . . . 6.9 109.542 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.442 -0.577 . . . . 7.36 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.32 63.44 2.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 7.15 109.645 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' D' ' 323' ' ' LEU . 78.1 mttt 54.32 68.59 2.61 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 6.5 109.699 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -66.56 15.07 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.624 1.549 . . . . 4.5 110.355 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' D' ' 321' ' ' LYS . 16.9 mt -79.84 109.44 14.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.93 -1.106 . . . . 4.32 109.484 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -81.42 -157.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.847 . . . . 2.46 109.781 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.27 -178.22 18.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.843 -1.303 . . . . 0.97 109.843 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -59.77 136.45 58.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -1.101 . . . . 1.67 109.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -95.95 157.97 15.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.311 -0.868 . . . . 0.61 109.64 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.2 139.36 33.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.365 -0.835 . . . . 0.56 109.06 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 63.7 p -95.99 160.73 14.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.175 -0.953 . . . . 0.43 109.179 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.3 tp -148.47 135.78 20.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.129 -0.982 . . . . 0.35 110.034 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.64 130.45 34.57 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.783 -0.821 . . . . 1.37 108.783 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.92 114.26 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.494 -0.754 . . . . 0.48 109.412 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.19 146.25 39.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.511 -0.743 . . . . 2.08 110.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.58 6.93 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.57 -1.012 . . . . 0.4 110.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.41 ' O ' ' OE2' ' D' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.8 11.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -1.065 . . . . 2.64 109.3 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.87 -42.67 80.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 2.22 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -62.96 -39.28 94.19 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.434 -0.791 . . . . 2.74 109.831 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -54.3 -59.45 4.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.429 -0.794 . . . . 0.43 110.377 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' D' ' 339' ' ' GLU . 4.9 mp0 -51.49 -34.9 37.84 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.126 -0.983 . . . . 1.69 110.02 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.51 -52.6 56.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.11 -0.994 . . . . 0.43 110.168 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -45.09 95.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.001 -1.062 . . . . 0.27 109.024 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.13 -43.87 61.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.894 . . . . 2.45 109.547 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -60.54 -48.23 82.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 1.75 109.96 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.5 -41.58 97.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.18 -0.95 . . . . 0.31 109.31 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.58 -50.97 71.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 1.22 109.544 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.15 -36.89 85.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.73 109.689 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -48.98 79.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.28 109.968 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.97 -47.89 82.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.31 109.506 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.22 -34.8 72.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.91 109.612 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.482 HD11 HE22 ' C' ' 354' ' ' GLN . 39.8 tp -64.07 -50.35 68.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.43 109.343 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.1 -47.43 80.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.279 -0.888 . . . . 1.57 109.118 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.74 -35.17 72.29 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.507 -0.745 . . . . 1.44 109.762 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.04 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.64 109.935 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.429 ' OE1' ' OE1' ' C' ' 354' ' ' GLN . 22.7 mt-30 -81.7 -2.87 52.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -0.893 . . . . 1.21 109.918 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.36 -9.8 58.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 1.22 109.374 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 26.69 5.58 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.675 -1.37 . . . . 1.5 109.675 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.69 38.93 0.77 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.243 -1.151 . . . . 4.18 109.411 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.11 153.72 3.08 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.88 . . . . 5.67 109.0 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.37 132.26 51.17 Favored 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 121.008 1.139 . . . . 5.65 109.841 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.964 -1.465 . . . . 7.27 109.556 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 320' ' ' LYS . 66.8 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.251 -0.648 . . . . 7.33 109.251 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 319' ' ' LYS . 68.9 mttt 58.39 154.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 7.21 109.611 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm 51.56 69.94 2.23 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.018 -1.051 . . . . 6.47 109.326 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -71.33 46.23 0.72 Allowed 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 121.977 1.785 . . . . 4.53 111.32 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 99.4 mt -80.21 102.5 9.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.483 -1.385 . . . . 4.35 109.198 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -83.09 -146.14 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 2.48 109.645 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 172.37 37.1 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.063 -1.215 . . . . 0.98 110.063 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -59.22 134.88 57.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -1.086 . . . . 1.7 109.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -96.05 152.63 18.35 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.61 109.153 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -135.35 -172.72 3.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.275 -0.89 . . . . 0.58 109.278 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.56 145.55 25.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.218 -0.926 . . . . 0.42 108.952 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.2 tp -139.54 134.85 32.77 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.436 -0.79 . . . . 0.36 109.77 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -86.36 132.75 33.89 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.882 -0.785 . . . . 1.37 108.882 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.83 115.03 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.459 -0.775 . . . . 0.47 109.344 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -75.09 152.44 38.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 2.1 110.024 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 144.19 5.27 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.395 -1.082 . . . . 0.42 110.395 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -82.89 -47.81 11.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.507 -0.996 . . . . 2.68 109.256 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.91 -41.24 77.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 2.22 108.537 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.591 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -47.22 82.66 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.331 -0.856 . . . . 2.77 109.463 179.461 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -56.0 -57.99 9.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.48 -0.763 . . . . 0.43 109.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -51.06 -38.71 53.24 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.459 -0.776 . . . . 1.66 109.923 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.2 -53.63 46.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.128 -0.983 . . . . 0.44 110.208 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.32 -45.33 94.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.06 -1.025 . . . . 0.29 109.207 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.08 -41.91 60.26 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.366 -0.834 . . . . 2.44 109.369 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.02 -54.83 41.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 1.74 109.921 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.96 -39.47 81.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -0.949 . . . . 0.3 108.728 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.42 -53.8 53.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.37 -0.831 . . . . 1.22 109.428 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.99 -35.81 81.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 1.72 110.018 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.14 -49.5 76.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.27 109.881 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.07 -47.94 82.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.29 109.378 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.27 -32.25 68.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 1.91 108.748 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 350' ' ' LEU . 2.5 tt -64.35 -52.44 58.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.392 -0.817 . . . . 0.41 108.824 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -60.34 -39.69 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.716 -0.846 . . . . 1.56 108.716 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.36 -37.79 73.15 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.672 -0.642 . . . . 1.43 109.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.06 85.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.213 -0.929 . . . . 0.66 109.649 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -81.05 1.6 30.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 1.18 109.586 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.7 -81.77 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.16 -0.963 . . . . 1.23 109.25 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.34 97.0 1.15 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.555 -1.418 . . . . 1.54 109.555 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -88.32 144.67 26.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.199 -1.177 . . . . 4.18 109.577 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -50.9 149.58 6.17 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 5.71 109.055 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.97 -81.01 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.705 0 C-N-CA 120.95 1.1 . . . . 5.61 109.828 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.454 -1.459 . . . . 7.24 109.454 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 320' ' ' LYS . 66.8 mttm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.237 -0.653 . . . . 7.34 109.237 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 319' ' ' LYS . 68.5 mttt 58.58 154.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.407 -0.808 . . . . 7.17 109.52 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm 51.58 69.69 2.37 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.027 -1.046 . . . . 6.44 109.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -71.1 45.57 0.62 Allowed 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 121.987 1.792 . . . . 4.54 111.345 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 98.0 mt -79.63 102.84 9.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.545 -1.347 . . . . 4.32 109.214 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -82.66 -145.73 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.426 -0.796 . . . . 2.47 109.64 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.47 173.64 36.47 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.032 -1.227 . . . . 0.95 110.032 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.87 134.69 57.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.457 -1.025 . . . . 1.61 109.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -96.18 152.44 18.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.57 109.155 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -135.22 -172.63 3.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.258 -0.901 . . . . 0.53 109.307 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -151.6 145.42 25.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.333 -0.854 . . . . 0.38 108.893 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -139.55 134.83 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.471 -0.768 . . . . 0.36 109.713 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.38 132.76 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.921 -0.77 . . . . 1.36 108.921 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.87 115.03 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.511 -0.743 . . . . 0.49 109.278 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.93 152.52 38.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 2.1 109.949 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.99 143.89 5.19 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.374 -1.09 . . . . 0.44 110.374 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -82.67 -47.67 11.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.54 -0.976 . . . . 2.72 109.22 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.96 -41.57 78.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 2.21 108.521 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -47.58 80.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.311 -0.868 . . . . 2.79 109.504 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -55.52 -57.85 10.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.519 -0.738 . . . . 0.45 109.5 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.27 -39.03 55.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.468 -0.77 . . . . 1.68 109.886 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -63.62 -53.57 49.49 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.215 -0.928 . . . . 0.43 110.123 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.69 -45.39 94.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.092 -1.005 . . . . 0.28 109.145 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.23 -41.39 60.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.339 -0.851 . . . . 2.52 109.289 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.28 -55.11 37.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.936 . . . . 1.75 109.897 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.86 -39.4 81.23 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.31 108.739 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.16 -53.87 53.39 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.35 -0.843 . . . . 1.21 109.429 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.98 -36.06 82.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.69 110.081 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -49.23 77.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.925 . . . . 0.27 109.862 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.07 -47.88 82.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 0.3 109.433 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -58.5 -32.48 68.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 1.93 108.737 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -64.04 -52.05 61.25 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.735 -0.839 . . . . 0.4 108.735 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -60.83 -39.86 90.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.323 -0.861 . . . . 1.59 108.765 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -57.15 -38.12 73.05 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.609 -0.682 . . . . 1.43 109.81 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.23 87.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 0.65 109.706 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -80.96 1.64 30.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 1.19 109.565 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -81.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 1.22 109.334 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.19 96.92 1.25 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.516 -1.434 . . . . 1.53 109.516 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -88.06 145.71 25.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.226 -1.161 . . . . 4.21 109.641 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -51.51 149.76 7.5 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.293 -0.88 . . . . 5.68 109.014 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.84 -80.98 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.721 0 C-N-CA 120.928 1.086 . . . . 5.57 109.753 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 109.477 -1.449 . . . . 7.2 109.477 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 320' ' ' LYS . 66.7 mttm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.284 -0.636 . . . . 8.96 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 319' ' ' LYS . 67.9 mttt 58.62 153.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.587 -0.696 . . . . 8.15 109.605 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm 51.79 70.04 2.15 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 7.15 109.399 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -71.33 45.86 0.68 Allowed 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 121.979 1.786 . . . . 4.35 111.307 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 99.6 mt -79.57 102.7 9.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.561 -1.337 . . . . 4.63 109.152 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -83.17 -145.53 0.08 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 2.85 109.711 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.3 172.7 37.6 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.069 -1.213 . . . . 1.12 110.069 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.46 134.36 56.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.441 -1.034 . . . . 2.11 109.836 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -95.88 152.24 18.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.422 -0.799 . . . . 0.64 109.195 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.92 -172.15 2.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.275 -0.89 . . . . 0.49 109.29 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -151.89 145.65 25.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 0.47 108.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.4 tp -139.89 134.66 31.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.405 -0.809 . . . . 0.42 109.692 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.59 33.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.02 -0.734 . . . . 1.81 109.02 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.74 115.41 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.42 109.299 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -75.23 153.06 38.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.448 -0.782 . . . . 2.35 110.101 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.08 143.42 4.37 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.402 -1.079 . . . . 0.41 110.402 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -82.08 -47.72 12.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.501 -0.999 . . . . 2.59 109.223 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -56.79 -41.41 77.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.161 -0.962 . . . . 2.54 108.62 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.59 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.47 -47.82 80.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.359 -0.838 . . . . 3.39 109.451 179.473 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -55.39 -57.72 10.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.549 -0.719 . . . . 0.47 109.598 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.31 -38.94 55.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.392 -0.817 . . . . 1.66 109.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.86 -53.23 53.85 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.095 -1.003 . . . . 0.61 110.224 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.87 -45.03 95.53 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.107 -0.995 . . . . 0.33 109.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.5 -41.21 60.81 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.306 -0.872 . . . . 3.28 109.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.39 -55.04 38.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 1.78 109.947 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.0 -39.3 81.41 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.155 -0.966 . . . . 0.38 108.786 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.32 -53.59 56.46 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.412 -0.805 . . . . 1.2 109.428 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.25 -36.12 82.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 2.12 110.023 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.03 -49.34 77.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.195 -0.941 . . . . 0.26 109.871 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.88 -47.66 83.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.149 -0.969 . . . . 0.4 109.453 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -32.45 69.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 2.09 108.726 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -64.12 -51.95 61.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.74 -0.837 . . . . 0.75 108.74 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.95 -39.68 90.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.324 -0.86 . . . . 2.19 108.777 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.21 -37.96 73.0 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.566 -0.709 . . . . 1.34 109.845 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.02 85.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.905 . . . . 0.72 109.735 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -81.01 1.69 30.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.297 -0.877 . . . . 1.8 109.641 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -81.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 1.39 109.209 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.76 97.57 1.24 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.585 -1.406 . . . . 1.66 109.585 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -88.16 145.35 25.96 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -1.138 . . . . 4.45 109.594 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -51.18 149.83 6.54 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 6.19 108.974 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.77 -81.07 0.01 OUTLIER 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 120.931 1.087 . . . . 5.58 109.841 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.978 -1.456 . . . . 6.9 109.5 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 320' ' ' LYS . 66.7 mttm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.233 -0.655 . . . . 7.36 109.233 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 319' ' ' LYS . 68.7 mttt 58.35 154.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.439 -0.788 . . . . 7.15 109.541 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm 50.94 70.39 2.03 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.985 . . . . 6.5 109.495 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -71.37 45.74 0.68 Allowed 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 122.019 1.812 . . . . 4.5 111.307 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.94 102.68 9.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.433 -1.417 . . . . 4.32 109.268 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -82.94 -146.34 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.276 -0.89 . . . . 2.46 109.661 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 173.05 34.97 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.084 -1.206 . . . . 0.97 110.084 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.57 134.79 57.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -1.054 . . . . 1.67 109.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -96.23 152.11 18.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.334 -0.854 . . . . 0.61 109.104 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -135.02 -172.6 3.09 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.304 -0.872 . . . . 0.56 109.241 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.69 145.49 25.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.3 -0.875 . . . . 0.43 108.853 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.5 tp -139.37 134.73 32.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.436 -0.79 . . . . 0.35 109.77 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.44 132.6 33.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.872 -0.788 . . . . 1.37 108.872 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.83 115.48 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.562 -0.712 . . . . 0.48 109.324 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -75.4 152.63 38.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 2.08 109.993 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.81 143.87 5.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.391 -1.084 . . . . 0.4 110.391 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -82.73 -47.59 11.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.996 . . . . 2.64 109.213 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.89 -41.67 78.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.485 -0.931 . . . . 2.22 108.485 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.595 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -47.49 81.32 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.374 -0.829 . . . . 2.74 109.546 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.6 -57.64 11.11 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.586 -0.696 . . . . 0.43 109.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -51.41 -38.99 56.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.424 -0.798 . . . . 1.69 109.925 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -63.87 -53.08 56.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.43 110.164 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.977 . . . . 0.27 109.206 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.38 -41.4 60.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.218 -0.927 . . . . 2.45 109.375 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.24 -54.65 43.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 1.75 109.944 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.23 -39.42 82.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.31 108.796 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.28 -53.97 52.14 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.461 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.94 -35.96 81.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 1.73 109.988 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.09 -49.45 76.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.28 109.853 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.08 -47.81 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.143 -0.973 . . . . 0.31 109.402 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.52 -32.43 68.83 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.245 -0.91 . . . . 1.91 108.801 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' C' ' 350' ' ' LEU . 2.5 tt -64.07 -52.14 60.72 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.755 -0.831 . . . . 0.43 108.755 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.74 -39.72 89.7 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.69 -0.856 . . . . 1.57 108.69 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -57.32 -37.62 72.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.63 -0.669 . . . . 1.44 109.807 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.21 85.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.64 109.715 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -80.87 1.41 30.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.371 -0.831 . . . . 1.21 109.64 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -81.29 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.161 -0.962 . . . . 1.22 109.286 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.52 96.81 1.16 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.573 -1.411 . . . . 1.5 109.573 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -88.16 144.61 26.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.276 -1.132 . . . . 4.18 109.486 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -50.49 150.24 4.94 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 5.67 109.133 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -81.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.718 0 C-N-CA 120.886 1.057 . . . . 5.65 109.76 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 7.27 109.528 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.425 -0.583 . . . . 7.33 109.425 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.94 -27.53 0.16 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 7.21 109.803 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 319' ' ' LYS . 60.6 mttp 52.92 72.01 1.28 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.096 -1.003 . . . . 6.47 109.667 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -69.9 62.03 1.83 Allowed 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.792 1.661 . . . . 4.53 110.076 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.78 30.76 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.826 -1.171 . . . . 4.35 109.325 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -77.5 -158.73 0.12 Allowed 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.147 -0.621 . . . . 2.48 109.707 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.47 160.54 51.34 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.781 -1.328 . . . . 0.98 109.781 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -58.91 141.47 53.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -1.122 . . . . 1.7 109.402 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 151.98 18.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.245 -0.909 . . . . 0.61 110.015 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.62 -168.54 2.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.443 -0.786 . . . . 0.58 108.985 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.8 p -153.24 142.53 21.56 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.185 -0.947 . . . . 0.42 109.247 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.12 137.0 40.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.557 -0.715 . . . . 0.36 109.716 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.29 33.85 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.831 -0.803 . . . . 1.37 108.831 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.9 mt -123.45 113.56 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.352 -0.842 . . . . 0.47 109.304 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HE ' ' C ' ' A' ' 333' ' ' ARG . 0.1 OUTLIER -74.63 149.99 39.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.541 -0.724 . . . . 2.1 109.998 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.33 138.96 6.41 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.959 -1.256 . . . . 0.42 109.959 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.92 -50.89 11.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -1.151 . . . . 2.68 109.339 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.88 -38.81 76.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 2.22 109.159 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.581 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.5 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.393 -0.817 . . . . 2.77 109.311 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.3 -56.6 18.14 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.684 -0.635 . . . . 0.43 109.823 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.271 -0.893 . . . . 1.66 110.08 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.82 -51.3 65.34 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.2 -0.938 . . . . 0.44 110.576 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.46 80.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.0 -1.062 . . . . 0.29 109.566 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.45 -39.04 46.62 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.069 -1.019 . . . . 2.44 109.371 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.58 -46.77 88.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.148 -0.97 . . . . 1.74 109.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.85 -49.16 77.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 0.3 109.215 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.28 -47.3 84.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.201 -0.937 . . . . 1.22 109.432 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.69 -38.45 87.87 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.327 -0.858 . . . . 1.72 109.444 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.27 -50.16 75.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.35 -0.844 . . . . 0.27 109.577 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.25 -43.07 99.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.29 109.369 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.83 -37.01 75.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 1.91 109.256 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.63 -48.35 77.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.41 109.181 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.48 -47.83 80.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 1.56 109.029 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.57 -34.23 68.99 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.587 -0.696 . . . . 1.43 109.482 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.98 83.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.858 . . . . 0.66 109.84 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -81.3 -3.54 52.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 1.18 109.616 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.32 -13.71 61.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.193 -0.942 . . . . 1.23 109.361 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 25.89 6.28 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.439 -1.464 . . . . 1.54 109.439 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -85.39 -83.33 0.17 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -1.128 . . . . 4.18 109.8 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 360' ' ' GLY . 2.2 mp0 -49.74 154.08 1.87 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.344 -0.848 . . . . 5.71 109.061 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.15 5.15 0.11 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 121.16 1.24 . . . . 5.61 110.444 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.493 2.434 0 CA-C-O 118.027 -1.43 . . . . 7.24 109.559 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' B' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.463 -0.569 . . . . 7.34 109.463 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.82 -27.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.369 -0.832 . . . . 7.17 109.82 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' B' ' 319' ' ' LYS . 60.5 mttp 53.04 71.92 1.3 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.109 -0.994 . . . . 6.44 109.644 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -69.89 62.1 1.83 Allowed 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 121.849 1.699 . . . . 4.54 110.089 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.75 30.59 0.43 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.794 -1.191 . . . . 4.32 109.25 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -77.53 -158.92 0.13 Allowed 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.598 -0.689 . . . . 2.47 109.721 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 160.5 50.94 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.777 -1.329 . . . . 0.95 109.777 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.86 141.51 53.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.349 -1.089 . . . . 1.61 109.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.9 151.87 18.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.305 -0.872 . . . . 0.57 110.026 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.54 -168.56 2.12 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.453 -0.779 . . . . 0.53 108.955 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.9 p -153.26 142.56 21.56 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.104 -0.997 . . . . 0.38 109.153 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.9 tp -136.16 136.96 40.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.589 -0.694 . . . . 0.36 109.715 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.84 132.28 33.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.882 -0.785 . . . . 1.36 108.882 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.0 mt -123.48 113.55 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.517 -0.74 . . . . 0.49 109.295 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.424 ' HE ' ' C ' ' B' ' 333' ' ' ARG . 0.1 OUTLIER -74.66 150.06 39.71 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.643 -0.661 . . . . 2.1 109.995 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.31 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.011 -1.235 . . . . 0.44 110.011 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -78.02 -50.87 11.27 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -1.134 . . . . 2.72 109.287 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.94 -38.83 76.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 2.21 109.136 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -45.9 83.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 2.79 109.394 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.35 -56.61 18.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.653 -0.655 . . . . 0.45 109.804 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -51.55 -40.16 59.17 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.388 -0.82 . . . . 1.68 110.159 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.83 -51.24 65.61 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.43 110.642 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.96 -48.47 80.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.044 -1.035 . . . . 0.28 109.582 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.46 -39.06 46.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.087 -1.008 . . . . 2.52 109.419 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -61.55 -46.81 88.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.971 . . . . 1.75 109.56 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.82 -49.14 77.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.335 -0.853 . . . . 0.31 109.289 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.23 -47.36 83.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 1.21 109.425 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.57 -38.7 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.306 -0.871 . . . . 1.69 109.437 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.07 -50.07 75.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.326 -0.859 . . . . 0.27 109.71 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.33 -43.0 99.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.328 -0.857 . . . . 0.3 109.363 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.91 -36.98 75.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.93 109.208 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.7 -48.21 78.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.37 -0.831 . . . . 0.4 109.215 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.59 -47.7 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 1.59 109.02 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.78 -34.15 69.3 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.622 -0.674 . . . . 1.43 109.467 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.96 83.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.65 109.895 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -81.25 -3.6 52.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 1.19 109.674 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -13.82 62.04 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.134 -0.979 . . . . 1.22 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 25.86 6.27 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.345 -1.502 . . . . 1.53 109.345 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -85.44 -83.4 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -1.191 . . . . 4.21 109.727 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.534 ' C ' ' H ' ' B' ' 360' ' ' GLY . 2.2 mp0 -49.63 154.18 1.77 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.869 . . . . 5.68 109.013 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.24 5.11 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 121.147 1.232 . . . . 5.57 110.465 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.042 -1.421 . . . . 7.2 109.596 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' C' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.373 -0.603 . . . . 8.96 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.9 -27.66 0.16 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.384 -0.822 . . . . 8.15 109.827 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' C' ' 319' ' ' LYS . 60.5 mttp 53.02 71.9 1.31 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.094 -1.004 . . . . 7.15 109.677 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -69.86 62.1 1.81 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 121.766 1.644 . . . . 4.35 110.07 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.76 30.67 0.43 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.842 -1.161 . . . . 4.63 109.264 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.47 -158.79 0.12 Allowed 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.55 -0.719 . . . . 2.85 109.71 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 160.46 51.25 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.776 -1.33 . . . . 1.12 109.776 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -58.75 141.47 52.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.276 -1.132 . . . . 2.11 109.427 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -94.87 152.02 18.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.174 -0.954 . . . . 0.64 110.032 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.72 -168.54 2.13 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.967 -0.753 . . . . 0.49 108.967 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.1 p -153.29 142.21 21.19 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.165 -0.959 . . . . 0.47 109.247 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -135.91 137.04 40.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.566 -0.709 . . . . 0.42 109.709 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.88 132.31 33.85 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.833 -0.803 . . . . 1.81 108.833 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.53 113.56 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.419 -0.8 . . . . 0.42 109.176 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HE ' ' C ' ' C' ' 333' ' ' ARG . 0.1 OUTLIER -74.67 150.06 39.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.647 -0.658 . . . . 2.35 109.957 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.35 138.89 6.4 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.068 -1.213 . . . . 0.41 110.068 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.9 -50.97 11.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -1.105 . . . . 2.59 109.246 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.9 -38.76 76.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 2.54 109.087 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.583 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -45.93 83.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.374 -0.829 . . . . 3.39 109.364 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.34 -56.63 17.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.647 -0.658 . . . . 0.47 109.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.352 -0.843 . . . . 1.66 110.128 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.88 -51.24 65.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.189 -0.944 . . . . 0.61 110.612 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.0 -48.32 80.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.33 109.657 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.53 -39.05 47.89 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.088 -1.007 . . . . 3.28 109.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.63 -46.74 88.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 1.78 109.489 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.9 -49.08 77.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 0.38 109.271 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.25 -47.36 83.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.264 -0.897 . . . . 1.2 109.431 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.63 -38.6 88.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.334 -0.854 . . . . 2.12 109.405 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.03 -50.29 74.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.26 109.601 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.22 -43.02 99.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.4 109.422 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.87 -36.91 75.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.279 -0.888 . . . . 2.09 109.291 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.77 -48.32 77.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.384 -0.822 . . . . 0.75 109.165 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.47 -47.81 80.26 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 2.19 108.963 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.63 -34.35 69.22 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.587 -0.695 . . . . 1.34 109.393 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.02 83.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.72 109.829 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -81.25 -3.61 52.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.184 -0.947 . . . . 1.8 109.676 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.35 -13.69 61.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.125 -0.985 . . . . 1.39 109.331 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 25.82 6.24 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.435 -1.466 . . . . 1.66 109.435 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -85.43 -83.43 0.17 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -1.152 . . . . 4.45 109.649 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.534 ' C ' ' H ' ' C' ' 360' ' ' GLY . 2.2 mp0 -49.64 154.15 1.78 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.245 -0.909 . . . . 6.19 109.086 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.25 5.22 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 121.138 1.225 . . . . 5.58 110.513 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.544 -1.422 . . . . 6.9 109.544 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' D' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.454 -0.573 . . . . 7.36 109.454 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 22.5 tptt 69.86 -27.57 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.395 -0.816 . . . . 7.15 109.803 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' D' ' 319' ' ' LYS . 60.5 mttp 52.99 71.93 1.3 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.962 . . . . 6.5 109.647 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -69.85 62.08 1.81 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.817 1.678 . . . . 4.5 109.982 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.8 30.77 0.43 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 4.32 109.345 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -77.53 -158.81 0.12 Allowed 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.648 -0.657 . . . . 2.46 109.703 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 160.51 51.31 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.737 -1.345 . . . . 0.97 109.737 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -58.77 141.46 52.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.283 -1.127 . . . . 1.67 109.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 152.01 18.75 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.264 -0.897 . . . . 0.61 109.984 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.75 -168.57 2.14 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.901 -0.777 . . . . 0.56 108.901 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -153.27 142.47 21.45 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.132 -0.98 . . . . 0.43 109.249 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.12 137.04 40.6 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -0.751 . . . . 0.35 109.748 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.23 33.87 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.787 -0.82 . . . . 1.37 108.787 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.43 113.63 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.451 -0.781 . . . . 0.48 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.43 ' HE ' ' C ' ' D' ' 333' ' ' ARG . 0.1 OUTLIER -74.68 150.04 39.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.606 -0.684 . . . . 2.08 109.965 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.3 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.034 -1.227 . . . . 0.4 110.034 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.94 -50.9 11.27 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.299 -1.118 . . . . 2.64 109.3 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.83 -38.84 76.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 2.22 109.125 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.582 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.353 -0.842 . . . . 2.74 109.33 179.739 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.34 -56.6 18.21 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.716 -0.615 . . . . 0.43 109.819 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -51.53 -40.16 59.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.363 -0.835 . . . . 1.69 110.137 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -51.21 65.53 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.136 -0.978 . . . . 0.43 110.575 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.51 80.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.157 -0.964 . . . . 0.27 109.553 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.48 -39.0 46.94 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.13 -0.981 . . . . 2.45 109.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.66 -46.71 88.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.75 109.516 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.93 -49.08 77.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.263 -0.898 . . . . 0.31 109.187 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -58.28 -47.36 83.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 1.22 109.378 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.58 -38.71 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.338 -0.851 . . . . 1.73 109.364 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.08 -50.17 75.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 0.28 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.3 -43.0 99.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.31 109.4 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.81 -36.97 75.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.91 109.266 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.72 -48.31 77.57 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 0.43 109.208 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.5 -47.68 80.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.331 -0.855 . . . . 1.57 108.999 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.77 -34.23 69.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.637 -0.664 . . . . 1.44 109.433 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.85 82.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.64 109.884 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -81.37 -3.52 52.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.28 -13.77 62.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.983 . . . . 1.22 109.359 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 25.85 6.27 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.418 -1.473 . . . . 1.5 109.418 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -85.46 -83.35 0.17 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.133 -1.216 . . . . 4.18 109.722 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' D' ' 360' ' ' GLY . 2.2 mp0 -49.67 154.1 1.82 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 5.67 109.107 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.22 5.18 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.164 1.243 . . . . 5.65 110.445 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 118.023 -1.431 . . . . 7.27 109.621 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.432 -0.581 . . . . 7.33 109.432 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 45.7 tttp 61.3 -76.41 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.531 -0.731 . . . . 7.21 109.215 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 319' ' ' LYS . 66.6 mttt 57.3 70.8 1.24 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 6.47 109.712 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.35 -81.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.084 0 C-N-CA 121.568 1.512 . . . . 4.53 109.548 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.62 101.22 7.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.077 -1.015 . . . . 4.35 109.368 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -83.3 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.428 -0.795 . . . . 2.48 109.72 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 160.74 52.87 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.747 -1.341 . . . . 0.98 109.747 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.62 130.09 45.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.118 . . . . 1.7 109.565 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.52 158.98 15.44 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.254 -0.904 . . . . 0.61 109.258 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.41 -173.64 3.66 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 0.58 109.46 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -151.67 115.49 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 0.42 108.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -101.18 136.65 40.69 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.504 -0.748 . . . . 0.36 109.703 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -86.0 128.58 34.88 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.51 -0.922 . . . . 1.37 108.51 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.16 115.91 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.739 0.781 . . . . 0.47 109.723 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -75.23 147.6 40.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.196 -0.668 . . . . 2.1 109.196 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 145.67 13.25 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 109.799 -1.32 . . . . 0.42 109.799 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.54 -51.48 7.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -1.116 . . . . 2.68 109.525 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.47 -37.78 73.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 2.22 109.232 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.537 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -48.23 79.02 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 2.77 109.545 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.92 -60.15 3.76 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.668 -0.645 . . . . 0.43 109.859 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.42 -38.75 44.74 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.507 -0.746 . . . . 1.66 110.109 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.25 -51.49 63.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.005 -1.059 . . . . 0.44 110.122 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.15 -45.88 91.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.105 -0.997 . . . . 0.29 109.005 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.67 -42.31 45.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.17 -0.956 . . . . 2.44 109.157 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.25 86.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 1.74 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.44 -47.67 85.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.3 109.022 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.09 -48.33 80.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 1.22 109.485 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -61.64 -37.35 83.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.72 109.761 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.57 -56.18 25.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.315 -0.865 . . . . 0.27 110.012 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.4 -39.81 92.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.238 -0.914 . . . . 0.29 109.408 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -61.51 -39.61 91.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.23 -0.919 . . . . 1.91 109.554 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.27 -49.29 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.269 -0.894 . . . . 0.41 108.994 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -64.34 -49.57 71.15 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.651 0.738 . . . . 1.56 109.321 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -55.7 -34.29 64.96 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 120.3 -0.56 . . . . 1.43 109.528 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -45.69 76.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66 109.589 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -80.45 -0.94 39.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.342 -0.849 . . . . 1.18 109.468 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.65 -78.96 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 1.23 109.341 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.73 6.71 0.11 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.989 -1.244 . . . . 1.54 109.989 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 355' ' ' ALA . 49.8 tttm -85.25 143.94 28.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.937 -1.331 . . . . 4.18 109.367 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.32 106.55 0.5 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.806 -0.559 . . . . 5.71 110.05 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.23 84.41 0.1 Allowed 'Trans proline' 0 C--O 1.212 -0.775 0 C-N-CA 120.766 0.977 . . . . 5.61 109.567 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.353 -1.499 . . . . 7.24 109.353 -179.861 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' B' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.432 -0.581 . . . . 7.34 109.432 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 46.0 tttp 61.34 -76.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.51 -0.744 . . . . 7.17 109.167 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 319' ' ' LYS . 66.2 mttt 57.2 70.87 1.23 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.219 -0.925 . . . . 6.44 109.766 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.46 -81.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.624 1.549 . . . . 4.54 109.615 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.51 101.08 7.18 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 4.32 109.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -83.19 -109.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.512 -0.742 . . . . 2.47 109.739 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 160.7 53.1 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.702 -1.359 . . . . 0.95 109.702 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.64 130.04 44.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.329 -1.101 . . . . 1.61 109.557 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -93.37 159.16 15.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.31 -0.869 . . . . 0.57 109.408 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.63 -173.61 3.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.53 109.406 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.2 p -151.72 115.46 4.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -0.775 . . . . 0.38 108.99 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.7 tp -101.12 136.68 40.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.666 . . . . 0.36 109.784 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -86.16 128.53 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.384 -0.969 . . . . 1.36 108.384 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.13 115.93 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 CA-C-O 121.754 0.788 . . . . 0.49 109.723 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -75.16 147.41 40.47 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.266 -0.642 . . . . 2.1 109.266 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.04 145.84 13.92 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.811 -1.316 . . . . 0.44 109.811 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.65 -51.54 7.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.319 -1.106 . . . . 2.72 109.53 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -57.33 -37.98 73.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 2.21 109.243 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.545 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.25 78.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.322 -0.861 . . . . 2.79 109.475 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.98 -60.01 3.96 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.657 -0.652 . . . . 0.45 109.756 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -50.55 -38.69 46.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.68 110.059 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.27 -51.52 63.15 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.055 -1.028 . . . . 0.43 110.122 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.16 -45.86 91.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.958 -1.089 . . . . 0.28 108.987 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -49.62 -42.49 45.09 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.106 -0.996 . . . . 2.52 109.058 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.46 -47.11 86.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.45 -0.781 . . . . 1.75 109.521 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.63 -47.64 85.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.31 109.003 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.07 -48.39 80.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.336 -0.853 . . . . 1.21 109.482 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.65 -37.26 83.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.291 -0.881 . . . . 1.69 109.766 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -56.1 26.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.27 109.987 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.3 -40.06 92.76 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.163 -0.96 . . . . 0.3 109.448 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.73 91.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.197 -0.94 . . . . 1.93 109.585 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.44 -49.5 75.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.929 . . . . 0.4 109.053 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.09 -49.53 71.87 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.83 0.824 . . . . 1.59 109.195 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -55.65 -34.58 65.09 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.734 -0.604 . . . . 1.43 109.478 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.6 76.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.208 -0.932 . . . . 0.65 109.507 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -80.39 -1.06 39.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.217 -0.927 . . . . 1.19 109.544 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.547 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.59 -79.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 1.22 109.293 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.74 6.82 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.034 -1.226 . . . . 1.53 110.034 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' B' ' 355' ' ' ALA . 49.6 tttm -85.22 144.04 28.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.987 -1.302 . . . . 4.21 109.345 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.39 106.5 0.5 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.844 -0.535 . . . . 5.68 110.022 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.25 84.76 0.1 Allowed 'Trans proline' 0 C--O 1.213 -0.755 0 N-CA-C 109.641 -0.946 . . . . 5.57 109.641 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.252 -1.539 . . . . 7.2 109.252 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' C' ' 321' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 8.96 109.394 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 61.32 -76.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.481 -0.762 . . . . 8.15 109.218 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' C' ' 319' ' ' LYS . 66.5 mttt 57.26 70.73 1.27 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 7.15 109.745 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.36 -81.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.619 1.546 . . . . 4.35 109.585 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.0 mt -78.47 100.99 7.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.187 -0.946 . . . . 4.63 109.502 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -83.11 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.499 -0.75 . . . . 2.85 109.759 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.54 160.73 52.82 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.826 -1.309 . . . . 1.12 109.826 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.71 130.05 44.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -1.139 . . . . 2.11 109.563 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -93.4 159.04 15.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.27 -0.894 . . . . 0.64 109.35 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.49 -173.66 3.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.49 109.421 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -151.63 115.42 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -0.816 . . . . 0.47 108.977 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.93 136.84 40.15 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.511 -0.743 . . . . 0.42 109.851 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.22 128.64 34.94 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.352 -0.981 . . . . 1.81 108.352 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.17 115.88 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 121.677 0.751 . . . . 0.42 109.774 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -75.32 147.53 40.07 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.197 -0.668 . . . . 2.35 109.197 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 145.61 13.2 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.759 -1.336 . . . . 0.41 109.759 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.48 -51.34 7.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -1.092 . . . . 2.59 109.583 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -57.53 -37.84 73.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.915 . . . . 2.54 109.161 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.536 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -48.22 79.07 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.27 -0.894 . . . . 3.39 109.584 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.91 -60.02 3.94 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.436 0.636 . . . . 0.47 109.885 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -50.52 -38.87 46.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.416 -0.802 . . . . 1.66 110.063 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.07 -51.55 63.55 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.121 -0.987 . . . . 0.61 110.165 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -62.17 -45.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.043 -1.036 . . . . 0.33 109.028 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.72 -42.55 46.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.111 -0.993 . . . . 3.28 108.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.31 -47.26 86.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.48 -0.762 . . . . 1.78 109.523 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 53.5 mt -60.62 -47.53 85.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.877 . . . . 0.38 109.054 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.15 -48.29 80.71 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.391 -0.818 . . . . 1.2 109.43 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 2.12 109.753 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -56.09 26.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 0.26 109.933 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.38 -40.02 92.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.149 -0.97 . . . . 0.4 109.456 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.81 91.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.192 -0.942 . . . . 2.09 109.522 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -62.39 -49.46 75.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.75 109.046 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.2 -49.41 72.13 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.771 0.796 . . . . 2.19 109.223 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -55.76 -34.49 65.28 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.503 -0.555 . . . . 1.34 109.503 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.62 76.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.72 109.479 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -80.45 -1.11 40.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 1.8 109.472 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.547 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.55 -79.05 0.07 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 1.39 109.345 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.65 6.6 0.11 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.004 -1.239 . . . . 1.66 110.004 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' C' ' 355' ' ' ALA . 49.8 tttm -85.19 143.97 28.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.935 -1.332 . . . . 4.45 109.421 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.38 106.68 0.51 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.803 -0.56 . . . . 6.19 110.013 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.34 84.62 0.1 Allowed 'Trans proline' 0 C--O 1.214 -0.707 0 N-CA-C 109.587 -0.967 . . . . 5.58 109.587 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.305 -1.518 . . . . 6.9 109.305 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' D' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.483 -0.562 . . . . 7.36 109.483 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 61.31 -76.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.53 -0.731 . . . . 7.15 109.118 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 319' ' ' LYS . 66.4 mttt 57.33 70.81 1.24 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 6.5 109.711 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.62 -80.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 121.586 1.524 . . . . 4.5 109.549 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -78.5 101.12 7.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 4.32 109.432 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -83.2 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.432 -0.793 . . . . 2.46 109.804 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 160.66 52.9 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.806 -1.318 . . . . 0.97 109.806 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.66 130.05 44.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -1.167 . . . . 1.67 109.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -93.38 159.23 15.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.309 -0.869 . . . . 0.61 109.392 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.65 -173.69 3.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.56 109.448 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.4 p -151.61 115.53 4.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.437 -0.789 . . . . 0.43 108.88 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -101.09 136.57 40.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.492 -0.755 . . . . 0.35 109.79 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.87 128.43 34.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.59 -0.893 . . . . 1.37 108.59 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.06 115.93 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-O 121.707 0.765 . . . . 0.48 109.734 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -75.22 147.24 40.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.284 -0.636 . . . . 2.08 109.284 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 145.72 13.63 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.963 -1.255 . . . . 0.4 109.963 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.52 -51.46 7.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -1.122 . . . . 2.64 109.626 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -57.37 -38.05 73.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 2.22 109.226 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.544 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.9 -48.3 78.52 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.315 -0.866 . . . . 2.74 109.622 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.88 -60.04 3.91 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.657 -0.652 . . . . 0.43 109.832 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -50.57 -38.76 47.02 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.527 -0.733 . . . . 1.69 110.011 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.2 -51.5 63.43 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.083 -1.011 . . . . 0.43 110.149 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.07 -45.87 91.63 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.034 -1.041 . . . . 0.27 109.018 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -49.73 -42.4 46.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.991 . . . . 2.45 109.038 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.15 86.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.465 -0.772 . . . . 1.75 109.469 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.61 -47.54 85.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.824 . . . . 0.31 109.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -58.17 -48.35 80.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.453 -0.779 . . . . 1.22 109.401 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.66 -37.32 83.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.73 109.794 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.66 -56.01 27.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.28 109.952 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 -39.98 92.77 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.181 -0.949 . . . . 0.31 109.374 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.35 -39.64 91.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.119 -0.988 . . . . 1.91 109.561 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.3 tp -62.34 -49.19 76.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.43 109.005 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -64.39 -49.58 71.01 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.729 0.776 . . . . 1.57 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.59 -34.39 64.78 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.448 -0.575 . . . . 1.44 109.448 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.71 76.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.14 -0.975 . . . . 0.64 109.531 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -80.4 -1.02 39.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.21 109.548 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.61 -79.11 0.07 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -0.915 . . . . 1.22 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.7 6.72 0.11 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.029 -1.228 . . . . 1.5 110.029 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' D' ' 355' ' ' ALA . 49.8 tttm -85.22 143.98 28.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.303 . . . . 4.18 109.347 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -43.29 106.4 0.49 Allowed Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.726 -0.609 . . . . 5.67 109.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.25 84.74 0.1 Allowed 'Trans proline' 0 C--O 1.213 -0.741 0 C-N-CA 120.725 0.95 . . . . 5.65 109.665 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.367 -1.493 . . . . 7.27 109.367 -179.832 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.423 -0.584 . . . . 7.33 109.423 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 54.93 14.31 0.9 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 7.21 109.846 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 323' ' ' LEU . 83.7 mttt 50.83 82.71 0.24 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.952 . . . . 6.47 110.022 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.0 Cg_endo -66.33 15.57 0.11 Allowed 'Trans proline' 0 C--N 1.322 -0.857 0 C-N-CA 121.413 1.409 . . . . 4.53 110.323 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.6 mt -79.81 31.63 0.25 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.11 -0.994 . . . . 4.35 109.318 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 322' ' ' PRO . 28.5 m-20 -78.21 -78.97 0.13 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.712 -0.617 . . . . 2.48 110.095 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.9 138.29 33.04 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.927 -1.269 . . . . 0.98 109.927 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.32 147.93 49.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.713 -0.875 . . . . 1.7 109.613 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -96.18 144.99 25.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.227 -0.921 . . . . 0.61 109.503 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -134.59 -172.55 3.05 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.366 -0.834 . . . . 0.58 109.542 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.0 p -149.63 150.65 32.5 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.56 -0.904 . . . . 0.42 108.56 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -142.82 134.42 26.53 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.229 -0.919 . . . . 0.36 109.925 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.35 126.97 33.7 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.588 -0.893 . . . . 1.37 108.588 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.24 109.56 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.47 109.203 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.32 149.61 38.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.598 -0.689 . . . . 2.1 109.792 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.1 114.24 1.35 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.962 -1.255 . . . . 0.42 109.962 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 335' ' ' ARG . 11.4 ttt-85 -65.24 -37.15 86.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -1.14 . . . . 2.68 108.75 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.9 -51.88 68.12 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.439 -0.788 . . . . 2.22 109.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.497 ' HG3' HH11 ' A' ' 337' ' ' ARG . 21.0 ttm-85 -65.18 -36.11 83.17 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.232 -0.917 . . . . 2.77 109.938 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.47 -52.33 47.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.43 109.169 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.87 -38.72 70.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 1.66 109.176 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.85 -53.88 47.41 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.433 -0.792 . . . . 0.44 110.324 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.34 -47.19 87.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.154 -0.966 . . . . 0.29 109.065 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.75 -42.13 62.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.158 -0.964 . . . . 2.44 109.347 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.59 -48.29 82.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 1.74 109.806 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.49 -39.52 88.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.139 -0.975 . . . . 0.3 108.831 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.38 -56.12 26.16 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.533 -0.729 . . . . 1.22 109.287 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 1.72 110.277 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.79 11.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.27 110.194 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.86 -40.77 94.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.253 -0.905 . . . . 0.29 109.643 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.35 -33.82 72.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 1.91 109.239 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.36 -51.79 58.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.41 109.569 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -62.9 -41.05 99.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.366 -0.834 . . . . 1.56 109.099 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.78 -36.64 70.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 1.43 109.483 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.86 68.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.66 109.64 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -81.05 1.88 29.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.18 109.699 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -81.23 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 1.23 109.504 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.83 63.95 2.32 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.681 -1.368 . . . . 1.54 109.681 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -84.99 157.83 20.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.247 -1.149 . . . . 4.18 109.517 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.41 148.56 4.62 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 5.71 109.174 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.72 -172.41 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.964 1.109 . . . . 5.61 109.851 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.988 -1.451 . . . . 7.24 109.557 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.438 -0.578 . . . . 7.34 109.438 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 55.06 14.21 0.93 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.375 -0.828 . . . . 7.17 109.815 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' B' ' 323' ' ' LEU . 83.6 mttt 50.89 82.75 0.24 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.157 -0.964 . . . . 6.44 109.981 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.9 Cg_endo -66.33 15.55 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 121.353 1.369 . . . . 4.54 110.354 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.6 mt -79.8 31.49 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.043 -1.036 . . . . 4.32 109.315 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' B' ' 322' ' ' PRO . 28.5 m-20 -78.19 -79.13 0.13 Allowed 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.702 -0.624 . . . . 2.47 109.994 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.63 138.23 33.46 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.995 -1.242 . . . . 0.95 109.995 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.37 147.92 49.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.923 . . . . 1.61 109.623 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -96.19 144.97 25.93 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.193 -0.942 . . . . 0.57 109.528 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -134.57 -172.6 3.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.337 -0.852 . . . . 0.53 109.523 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 63.1 p -149.55 150.75 32.73 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.51 -0.922 . . . . 0.38 108.51 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.82 134.49 26.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.264 -0.897 . . . . 0.36 109.918 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.53 127.0 33.8 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.49 -0.929 . . . . 1.36 108.49 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.26 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.387 -0.821 . . . . 0.49 109.238 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.72 38.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.632 -0.667 . . . . 2.1 109.831 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 114.19 1.33 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.948 -1.261 . . . . 0.44 109.948 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.48 ' HG2' HH11 ' B' ' 335' ' ' ARG . 11.3 ttt-85 -65.13 -37.21 86.69 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -1.096 . . . . 2.72 108.777 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.89 -51.87 68.17 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.75 . . . . 2.21 109.865 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.489 HH11 ' HG3' ' B' ' 337' ' ' ARG . 21.0 ttm-85 -65.16 -36.08 83.11 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.267 -0.896 . . . . 2.79 109.933 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.55 -52.33 47.98 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.273 -0.892 . . . . 0.45 109.133 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -38.64 70.36 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.337 -0.852 . . . . 1.68 109.252 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.94 -53.91 46.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.503 -0.748 . . . . 0.43 110.308 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.33 -47.22 86.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.137 -0.977 . . . . 0.28 109.096 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.7 -42.09 61.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.221 -0.925 . . . . 2.52 109.385 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.31 82.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -0.976 . . . . 1.75 109.831 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.41 -39.61 88.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 0.31 108.857 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.39 -56.1 26.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.434 -0.791 . . . . 1.21 109.236 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.02 -38.1 89.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.419 -0.801 . . . . 1.69 110.194 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.41 -57.8 11.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.27 110.201 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.83 -40.8 94.17 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.277 -0.889 . . . . 0.3 109.604 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.34 -33.91 73.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.077 -1.015 . . . . 1.93 109.155 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.37 -51.8 57.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.372 -0.83 . . . . 0.4 109.574 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.84 -41.12 99.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.331 -0.856 . . . . 1.59 109.037 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.74 -36.65 70.0 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.564 -0.71 . . . . 1.43 109.508 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -47.9 68.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.65 109.608 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.07 1.81 29.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 1.19 109.611 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.44 -81.31 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 1.22 109.52 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.78 64.01 2.3 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.594 -1.403 . . . . 1.53 109.594 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' B' ' 357' ' ' LYS . 19.2 pttp -85.13 157.86 20.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -1.129 . . . . 4.21 109.51 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.38 148.55 4.59 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 5.68 109.217 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.69 -172.48 0.03 OUTLIER 'Trans proline' 0 C--O 1.214 -0.706 0 C-N-CA 120.939 1.092 . . . . 5.57 109.85 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 117.945 -1.475 . . . . 7.2 109.566 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.483 -0.562 . . . . 8.96 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 55.07 14.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.43 -0.794 . . . . 8.15 109.821 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' C' ' 323' ' ' LEU . 83.6 mttt 50.83 82.7 0.24 Allowed Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 7.15 110.04 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.9 Cg_endo -66.29 15.54 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 121.401 1.401 . . . . 4.35 110.267 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.7 mt -79.81 31.59 0.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 4.63 109.297 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' C' ' 322' ' ' PRO . 28.6 m-20 -78.17 -79.14 0.13 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.801 -0.562 . . . . 2.85 110.002 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.78 138.2 33.15 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.995 -1.242 . . . . 1.12 109.995 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.25 147.97 49.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.65 -0.912 . . . . 2.11 109.639 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.23 144.89 26.02 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.206 -0.934 . . . . 0.64 109.518 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.45 -172.66 3.07 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.49 109.544 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 62.9 p -149.54 150.55 32.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.238 -0.914 . . . . 0.47 108.542 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 134.43 26.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.169 -0.957 . . . . 0.42 109.94 -178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.45 127.06 33.8 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.469 -0.937 . . . . 1.81 108.469 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.0 mt -123.29 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.569 -0.707 . . . . 0.42 109.244 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.64 38.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.578 -0.701 . . . . 2.35 109.797 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 114.18 1.35 Allowed Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.946 -1.262 . . . . 0.41 109.946 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' C' ' 335' ' ' ARG . 11.3 ttt-85 -65.24 -37.12 86.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.237 -1.155 . . . . 2.59 108.773 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.83 -51.98 67.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.393 -0.817 . . . . 2.54 109.82 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' C' ' 337' ' ' ARG . 21.1 ttm-85 -65.15 -36.14 83.32 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.288 -0.883 . . . . 3.39 109.84 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.53 -52.37 47.58 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.47 109.124 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.8 -38.72 70.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 1.66 109.165 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.93 -53.9 46.88 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.488 -0.757 . . . . 0.61 110.245 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.3 -47.17 87.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.198 -0.939 . . . . 0.33 109.094 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -51.83 -42.13 62.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.298 -0.877 . . . . 3.28 109.33 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.19 82.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.133 -0.979 . . . . 1.78 109.914 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.55 -39.45 87.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.211 -0.93 . . . . 0.38 108.865 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.45 -56.07 26.82 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.425 -0.797 . . . . 1.2 109.271 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.1 -38.01 89.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.463 -0.773 . . . . 2.12 110.18 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.64 11.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.107 -0.996 . . . . 0.26 110.203 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.01 -40.71 94.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.4 109.551 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.38 -33.87 73.08 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.167 -0.958 . . . . 2.09 109.253 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.42 -51.73 58.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.75 109.601 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.87 -41.13 99.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 2.19 109.067 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -56.73 -36.64 69.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.627 -0.671 . . . . 1.34 109.504 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.79 68.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.72 109.713 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -81.18 1.93 29.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.33 -0.856 . . . . 1.8 109.566 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -81.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.161 -0.962 . . . . 1.39 109.488 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.9 64.04 2.34 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.545 -1.422 . . . . 1.66 109.545 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -85.13 157.79 20.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.271 -1.135 . . . . 4.45 109.517 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -49.32 148.48 4.53 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.307 -0.871 . . . . 6.19 109.136 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.57 -172.51 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.658 0 C-N-CA 120.97 1.114 . . . . 5.58 109.901 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 CA-C-O 117.99 -1.45 . . . . 6.9 109.524 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.433 -0.58 . . . . 7.36 109.433 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 54.98 14.22 0.89 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.418 -0.801 . . . . 7.15 109.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' D' ' 323' ' ' LEU . 83.6 mttt 50.89 82.71 0.24 Allowed Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.196 -0.94 . . . . 6.5 110.021 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.9 Cg_endo -66.3 15.49 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 121.416 1.411 . . . . 4.5 110.237 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.7 mt -79.78 31.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 4.32 109.271 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' D' ' 322' ' ' PRO . 28.5 m-20 -78.21 -78.99 0.13 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.738 -0.601 . . . . 2.46 110.003 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.81 138.23 33.14 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.901 -1.279 . . . . 0.97 109.901 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.36 147.92 49.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.883 . . . . 1.67 109.628 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -96.17 145.01 25.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.249 -0.907 . . . . 0.61 109.511 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.63 -172.72 3.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.355 -0.84 . . . . 0.56 109.567 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 62.4 p -149.53 150.77 32.8 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.434 -0.95 . . . . 0.43 108.434 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.81 134.47 26.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.231 -0.918 . . . . 0.35 109.912 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.54 127.03 33.83 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.49 -0.93 . . . . 1.37 108.49 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.3 109.51 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.431 -0.793 . . . . 0.48 109.221 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.34 149.59 38.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.645 -0.659 . . . . 2.08 109.863 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.11 114.26 1.35 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.973 -1.251 . . . . 0.4 109.973 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.479 ' HG2' HH11 ' D' ' 335' ' ' ARG . 11.2 ttt-85 -65.25 -37.2 86.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.274 -1.133 . . . . 2.64 108.696 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.82 -51.97 67.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 2.22 109.8 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.477 ' HG3' HH11 ' D' ' 337' ' ' ARG . 21.1 ttm-85 -65.02 -36.21 83.67 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.18 -0.95 . . . . 2.74 109.926 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.48 -52.39 47.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 0.43 109.117 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.79 -38.72 70.31 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.69 109.222 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.88 -53.96 46.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.491 -0.756 . . . . 0.43 110.249 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.27 -47.2 87.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.27 109.104 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.73 -42.1 62.02 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.245 -0.909 . . . . 2.45 109.376 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.67 -48.19 82.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.091 -1.006 . . . . 1.75 109.819 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.51 -39.51 88.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.233 -0.917 . . . . 0.31 108.809 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.37 -56.26 24.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.408 -0.807 . . . . 1.22 109.175 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -62.92 -38.12 89.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.442 -0.786 . . . . 1.73 110.289 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.39 -57.77 11.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.15 -0.969 . . . . 0.28 110.235 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -40.86 94.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 0.31 109.585 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.22 -33.93 72.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.174 -0.954 . . . . 1.91 109.283 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.38 -51.77 58.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.87 . . . . 0.43 109.591 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.85 -41.07 99.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.35 -0.844 . . . . 1.57 109.06 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -56.83 -36.65 70.21 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.559 -0.713 . . . . 1.44 109.467 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.95 68.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.64 109.639 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -81.03 1.82 29.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 1.21 109.65 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.56 -81.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.177 -0.952 . . . . 1.22 109.527 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.84 63.98 2.32 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.665 -1.374 . . . . 1.5 109.665 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -84.96 157.82 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -1.16 . . . . 4.18 109.579 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.32 148.55 4.47 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 5.67 109.161 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.76 -172.4 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.646 0 C-N-CA 120.938 1.092 . . . . 5.65 109.795 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.993 -1.448 . . . . 7.27 109.583 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.32 0.581 . . . . 7.33 109.7 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 59.9 36.93 21.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.314 -0.866 . . . . 7.21 110.0 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 323' ' ' LEU . 28.2 mmtm 52.83 74.64 0.74 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.013 -1.054 . . . . 6.47 109.39 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.86 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.079 0 C-N-CA 121.541 1.494 . . . . 4.53 110.361 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 321' ' ' LYS . 14.5 mt -80.07 103.07 9.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.118 -0.989 . . . . 4.35 109.157 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.55 ' CB ' ' HE ' ' C' ' 333' ' ' ARG . 17.5 m-20 -81.84 -142.02 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.372 -0.83 . . . . 2.48 109.786 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.472 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.66 163.43 49.73 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.709 -1.357 . . . . 0.98 109.709 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 134.51 57.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -1.128 . . . . 1.7 109.609 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -95.16 158.06 15.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.228 -0.92 . . . . 0.61 109.633 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -137.05 -168.27 2.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.399 -0.813 . . . . 0.58 109.484 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.0 143.33 23.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.42 108.729 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.8 tp -139.01 137.5 36.39 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 0.36 109.834 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.46 131.25 34.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.406 -0.961 . . . . 1.37 108.406 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.7 mt -123.42 116.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.376 -0.828 . . . . 0.47 109.512 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.555 ' HE ' ' CB ' ' C' ' 324' ' ' ASP . 31.3 ttt-85 -75.16 151.36 38.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.604 -0.685 . . . . 2.1 109.74 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.66 132.89 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.269 -1.133 . . . . 0.42 110.269 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.43 -48.08 14.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.389 -1.066 . . . . 2.68 109.38 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 336' ' ' GLU . 1.6 pm0 -59.21 -39.71 83.51 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.087 -1.008 . . . . 2.22 108.901 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.55 -41.44 98.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.904 . . . . 2.77 109.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.57 -57.08 13.41 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.619 -0.676 . . . . 0.43 110.009 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.444 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 80.1 mm-40 -51.28 -37.52 47.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.275 -0.89 . . . . 1.66 109.859 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.62 58.97 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.883 . . . . 0.44 110.318 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -61.14 -43.63 98.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.013 . . . . 0.29 109.142 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 41.7 ttp180 -51.42 -44.77 62.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.181 -0.949 . . . . 2.44 109.203 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.31 -47.52 85.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.836 . . . . 1.74 109.831 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.76 -41.01 94.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.3 109.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.99 -54.49 46.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.885 . . . . 1.22 109.318 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' B' ' 351' ' ' LYS . 61.3 tt0 -63.74 -31.14 72.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 1.72 109.373 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -52.82 64.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.27 109.867 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.33 -45.25 95.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.212 -0.93 . . . . 0.29 109.211 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.93 -36.05 74.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.201 -0.937 . . . . 1.91 109.358 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.72 -48.24 77.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.41 109.253 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.19 -46.92 84.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.381 -0.825 . . . . 1.56 108.945 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.09 63.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.705 -0.622 . . . . 1.43 109.733 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.08 73.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.209 -0.932 . . . . 0.66 109.605 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -81.59 -8.07 59.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 1.18 109.38 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.04 -50.77 25.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.352 -0.842 . . . . 1.23 109.519 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.91 53.16 3.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.743 -1.343 . . . . 1.54 109.743 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.9 144.38 28.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -1.151 . . . . 4.18 109.32 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -47.55 110.54 1.37 Allowed Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.275 -0.891 . . . . 5.71 109.425 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.54 111.36 1.14 Allowed 'Trans proline' 0 C--O 1.215 -0.644 0 N-CA-C 109.91 -0.842 . . . . 5.61 109.91 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.957 -1.468 . . . . 7.24 109.511 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.342 0.591 . . . . 7.34 109.747 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 60.05 36.92 21.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 7.17 109.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' B' ' 323' ' ' LEU . 28.3 mmtm 52.66 74.72 0.73 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 6.44 109.466 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.2 8.74 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 121.455 1.436 . . . . 4.54 110.344 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' B' ' 321' ' ' LYS . 14.4 mt -79.98 103.09 9.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.005 -1.059 . . . . 4.32 109.15 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.531 ' CB ' ' HE ' ' D' ' 333' ' ' ARG . 17.4 m-20 -81.87 -142.23 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.379 -0.826 . . . . 2.47 109.705 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.448 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -68.39 163.46 48.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.68 -1.368 . . . . 0.95 109.68 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.91 134.51 57.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.241 -1.152 . . . . 1.61 109.626 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.21 157.9 15.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.19 -0.944 . . . . 0.57 109.615 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.91 -168.15 2.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.53 109.482 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -152.07 143.38 23.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.252 -0.905 . . . . 0.38 108.696 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.9 tp -139.08 137.58 36.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.381 -0.824 . . . . 0.36 109.839 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.51 131.32 34.39 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.393 -0.966 . . . . 1.36 108.393 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.45 116.89 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.458 -0.776 . . . . 0.49 109.523 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.536 ' HE ' ' CB ' ' D' ' 324' ' ' ASP . 31.5 ttt-85 -75.18 151.37 38.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.69 -0.631 . . . . 2.1 109.669 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 132.78 2.55 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.267 -1.133 . . . . 0.44 110.267 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.29 -48.29 14.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -1.099 . . . . 2.72 109.3 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.646 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 1.6 pm0 -59.17 -39.67 83.23 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.104 -0.997 . . . . 2.21 108.92 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.57 -41.43 98.38 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 2.79 109.191 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.55 -57.18 13.0 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.618 -0.676 . . . . 0.45 109.967 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.454 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 80.3 mm-40 -51.21 -37.58 47.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.68 109.807 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.67 58.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.235 -0.916 . . . . 0.43 110.29 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -61.09 -43.64 98.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.02 -1.05 . . . . 0.28 109.189 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 41.6 ttp180 -51.38 -44.76 62.22 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.192 -0.942 . . . . 2.52 109.217 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.37 -47.53 85.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 1.75 109.784 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.75 -40.93 94.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.31 109.057 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -58.11 -54.5 46.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 1.21 109.198 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.74 -31.2 72.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 1.69 109.405 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.79 -52.79 64.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.27 109.949 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.37 -45.13 95.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 0.3 109.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.04 -36.0 74.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.93 109.301 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.71 -48.13 78.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -0.861 . . . . 0.4 109.267 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' A' ' 346' ' ' GLU . 15.0 ttmm -63.39 -46.84 84.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.402 -0.811 . . . . 1.59 108.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.02 63.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.645 -0.659 . . . . 1.43 109.683 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -47.14 72.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.65 109.642 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -81.67 -7.89 59.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.265 -0.897 . . . . 1.19 109.401 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.83 25.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.301 -0.874 . . . . 1.22 109.446 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.87 53.18 3.69 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.779 -1.328 . . . . 1.53 109.779 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -85.02 144.38 28.31 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.178 -1.19 . . . . 4.21 109.331 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.49 110.63 1.39 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 5.68 109.442 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.59 111.38 1.15 Allowed 'Trans proline' 0 C--O 1.215 -0.657 0 N-CA-C 109.865 -0.859 . . . . 5.57 109.865 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 CA-C-O 118.004 -1.442 . . . . 7.2 109.505 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.302 0.573 . . . . 8.96 109.691 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 60.01 36.89 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 8.15 109.996 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' C' ' 323' ' ' LEU . 28.4 mmtm 52.76 74.68 0.74 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.992 -1.067 . . . . 7.15 109.407 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.79 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 121.538 1.492 . . . . 4.35 110.321 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' C' ' 321' ' ' LYS . 14.4 mt -80.02 103.06 9.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.026 -1.046 . . . . 4.63 109.215 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.555 ' CB ' ' HE ' ' A' ' 333' ' ' ARG . 17.7 m-20 -81.9 -142.1 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 2.85 109.747 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.504 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -68.61 163.47 49.54 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.694 -1.363 . . . . 1.12 109.694 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.84 134.5 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -1.156 . . . . 2.11 109.631 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.11 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.157 -0.964 . . . . 0.64 109.694 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.02 -168.25 2.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.478 -0.764 . . . . 0.49 109.44 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.04 143.29 23.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.23 -0.919 . . . . 0.47 108.772 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.01 137.55 36.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.378 -0.826 . . . . 0.42 109.814 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.53 131.22 34.4 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.375 -0.972 . . . . 1.81 108.375 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.4 116.93 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.452 -0.78 . . . . 0.42 109.446 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.55 ' HE ' ' CB ' ' A' ' 324' ' ' ASP . 31.5 ttt-85 -75.25 151.42 38.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.534 -0.729 . . . . 2.35 109.608 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.64 132.87 2.54 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.25 -1.14 . . . . 0.41 110.25 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.36 -48.17 14.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.327 -1.102 . . . . 2.59 109.38 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.631 ' CD ' ' H ' ' C' ' 336' ' ' GLU . 1.6 pm0 -59.18 -39.7 83.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.07 -1.019 . . . . 2.54 108.914 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.58 -41.37 98.38 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.358 -0.838 . . . . 3.39 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -55.64 -57.08 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.639 -0.663 . . . . 0.47 109.955 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 80.2 mm-40 -51.26 -37.56 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.66 109.815 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.91 -52.64 58.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.61 110.341 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.04 -43.71 98.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.33 109.206 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 41.6 ttp180 -51.36 -44.77 62.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.201 -0.937 . . . . 3.28 109.16 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.42 -47.34 86.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -0.832 . . . . 1.78 109.845 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.91 -40.93 95.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 0.38 108.991 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.09 -54.42 47.17 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 1.2 109.274 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -63.84 -31.03 72.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 2.12 109.452 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.89 63.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.26 109.867 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.28 -45.17 95.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.4 109.306 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.14 -36.0 74.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.313 -0.867 . . . . 2.09 109.259 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.71 -48.24 77.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.336 -0.852 . . . . 0.75 109.282 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -63.26 -46.89 84.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 2.19 108.891 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.98 -29.99 63.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.781 -0.574 . . . . 1.34 109.606 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.09 73.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.72 109.614 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -81.58 -8.03 59.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.227 -0.921 . . . . 1.8 109.355 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.0 -50.84 25.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 1.39 109.519 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.92 53.18 3.71 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.763 -1.335 . . . . 1.66 109.763 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.98 144.46 28.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -1.165 . . . . 4.45 109.324 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -47.54 110.65 1.4 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 6.19 109.372 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.66 111.4 1.16 Allowed 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.875 -0.856 . . . . 5.58 109.875 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 117.949 -1.473 . . . . 6.9 109.456 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.239 0.543 . . . . 7.36 109.788 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 69.4 tttt 59.91 37.02 21.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.377 -0.827 . . . . 7.15 109.977 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' D' ' 323' ' ' LEU . 28.4 mmtm 52.66 74.69 0.74 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.032 . . . . 6.5 109.485 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.84 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.528 1.485 . . . . 4.5 110.297 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' D' ' 321' ' ' LYS . 14.4 mt -80.06 103.11 9.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.998 . . . . 4.32 109.142 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.536 ' CB ' ' HE ' ' B' ' 333' ' ' ARG . 17.5 m-20 -81.89 -142.07 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 2.46 109.747 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.468 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -68.56 163.44 49.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.665 -1.374 . . . . 0.97 109.665 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.84 134.55 57.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -1.099 . . . . 1.67 109.673 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.11 158.03 15.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.945 . . . . 0.61 109.634 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.98 -168.2 2.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.418 -0.801 . . . . 0.56 109.427 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -152.08 143.29 23.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.305 -0.872 . . . . 0.43 108.78 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.0 137.5 36.39 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.82 . . . . 0.35 109.805 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -85.46 131.18 34.42 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.424 -0.954 . . . . 1.37 108.424 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 116.86 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.49 -0.756 . . . . 0.48 109.503 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.531 ' HE ' ' CB ' ' B' ' 324' ' ' ASP . 31.7 ttt-85 -75.18 151.34 38.5 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.598 -0.689 . . . . 2.08 109.668 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.74 132.81 2.57 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.247 -1.141 . . . . 0.4 110.247 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.29 -48.21 14.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.09 . . . . 2.64 109.339 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.628 ' CD ' ' H ' ' D' ' 336' ' ' GLU . 1.6 pm0 -59.22 -39.61 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.038 -1.039 . . . . 2.22 108.904 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.55 -41.52 98.43 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.276 -0.89 . . . . 2.74 109.161 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.6 -57.11 13.32 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.66 -0.65 . . . . 0.43 109.926 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.457 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 80.3 mm-40 -51.27 -37.56 47.9 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.272 -0.892 . . . . 1.69 109.849 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.88 -52.68 58.85 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.233 -0.917 . . . . 0.43 110.312 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.27 109.242 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.457 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 41.7 ttp180 -51.44 -44.75 62.44 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.156 -0.965 . . . . 2.45 109.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.38 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.75 109.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.9 -40.94 94.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.31 108.997 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.08 -54.43 47.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.285 -0.884 . . . . 1.22 109.248 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -63.78 -31.08 72.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 1.73 109.405 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.89 63.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.28 109.931 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.26 -45.23 95.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -0.919 . . . . 0.31 109.266 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.128 -0.982 . . . . 1.91 109.334 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.8 -48.17 77.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.43 109.224 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.28 -46.91 84.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.403 -0.811 . . . . 1.57 108.851 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.14 63.52 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.647 -0.658 . . . . 1.44 109.679 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.16 73.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.64 109.621 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -81.64 -7.88 59.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 1.21 109.426 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -50.8 25.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.324 -0.86 . . . . 1.22 109.467 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.88 53.15 3.69 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.747 -1.341 . . . . 1.5 109.747 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.95 144.41 28.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -1.152 . . . . 4.18 109.383 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -47.54 110.59 1.39 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.352 -0.842 . . . . 5.67 109.435 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.6 111.33 1.14 Allowed 'Trans proline' 0 C--O 1.214 -0.682 0 N-CA-C 109.855 -0.864 . . . . 5.65 109.855 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.493 -1.443 . . . . 7.27 109.493 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.347 0.594 . . . . 7.33 109.5 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.36 -107.7 0.39 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 7.21 109.376 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 51.9 82.01 0.25 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.886 -1.133 . . . . 6.47 109.694 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -63.95 -170.84 0.13 Allowed 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 121.39 1.393 . . . . 4.53 110.042 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.12 109.53 14.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 4.35 109.29 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -80.74 -106.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 2.48 109.657 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.427 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -69.39 147.96 46.45 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.775 -1.33 . . . . 0.98 109.775 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.24 141.16 56.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.429 -1.042 . . . . 1.7 109.693 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.31 155.77 16.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.92 . . . . 0.61 109.414 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.72 1.67 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.242 -0.911 . . . . 0.58 109.533 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.9 p -152.12 147.42 26.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.245 -0.91 . . . . 0.42 109.131 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.01 133.89 36.01 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.418 -0.801 . . . . 0.36 110.187 -178.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.23 129.34 34.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 1.37 109.13 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.96 119.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.506 -0.746 . . . . 0.47 109.188 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.439 HH21 ' H ' ' C' ' 325' ' ' GLY . 4.1 tmt_? -74.22 152.02 39.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.64 -0.663 . . . . 2.1 110.214 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.63 139.93 2.47 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.321 -1.111 . . . . 0.42 110.321 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.485 ' HG3' HH11 ' A' ' 335' ' ' ARG . 6.6 ttm-85 -79.78 -44.55 20.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.415 -1.05 . . . . 2.68 109.227 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.03 -41.93 84.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 2.22 109.121 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -62.49 -43.44 98.81 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.392 -0.817 . . . . 2.77 109.015 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.84 -57.9 10.1 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.621 -0.674 . . . . 0.43 109.609 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 30.6 mm-40 -51.66 -39.29 57.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.66 109.856 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.68 -52.41 60.76 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.227 -0.92 . . . . 0.44 110.225 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.11 -47.29 86.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.099 -1.001 . . . . 0.29 109.243 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 42.2 ttp180 -50.92 -42.39 59.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 2.44 109.543 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.86 -41.85 87.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.917 . . . . 1.74 109.784 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.11 -47.98 82.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.166 -0.959 . . . . 0.3 109.36 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.51 -47.71 78.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.154 -0.966 . . . . 1.22 109.516 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -39.62 93.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 1.72 109.765 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -50.61 73.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 0.27 109.723 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.06 -44.5 96.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 0.29 109.682 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.73 -33.97 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 1.91 109.426 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' B' ' 350' ' ' LEU . 2.4 tt -64.93 -52.23 57.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.41 109.317 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.26 -44.29 97.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.341 -0.849 . . . . 1.56 109.245 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.93 -35.15 68.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.533 -0.73 . . . . 1.43 109.53 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.79 84.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.66 109.682 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.65 -6.96 59.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.18 109.642 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.03 7.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.059 -1.026 . . . . 1.23 109.451 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.2 -3.02 87.64 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.225 -1.15 . . . . 1.54 110.225 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.8 23.98 1.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.915 -1.344 . . . . 4.18 109.626 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' A' ' 360' ' ' GLY . 52.5 mt-10 -46.74 110.04 1.17 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 5.71 109.548 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.33 6.89 0.27 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 120.754 0.969 . . . . 5.61 110.27 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.39 0 CA-C-O 117.937 -1.48 . . . . 7.24 109.589 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.46 -0.57 . . . . 7.34 109.46 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.34 -107.7 0.39 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 7.17 109.482 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 51.86 82.04 0.25 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 120.896 -1.128 . . . . 6.44 109.667 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -63.94 -170.84 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.378 1.386 . . . . 4.54 110.09 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.3 mt -80.09 109.43 14.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 4.32 109.328 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.76 -106.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -0.867 . . . . 2.47 109.626 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.459 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -69.36 147.97 46.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.822 -1.311 . . . . 0.95 109.822 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.29 141.23 56.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -1.081 . . . . 1.61 109.687 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.42 155.8 16.79 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.282 -0.886 . . . . 0.57 109.465 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.15 -164.74 1.68 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.363 -0.836 . . . . 0.53 109.495 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.6 p -151.99 147.61 26.75 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.9 tp -137.29 133.74 35.33 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.462 -0.774 . . . . 0.36 110.17 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.15 129.39 34.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.492 -0.755 . . . . 1.36 109.076 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.02 119.04 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.522 -0.736 . . . . 0.49 109.203 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.461 HH21 ' H ' ' D' ' 325' ' ' GLY . 4.1 tmt_? -74.23 152.03 39.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.588 -0.695 . . . . 2.1 110.153 -179.39 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.47 139.99 2.42 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.381 -1.088 . . . . 0.44 110.381 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.481 ' HG3' HH11 ' B' ' 335' ' ' ARG . 6.5 ttm-85 -79.78 -44.57 20.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -1.032 . . . . 2.72 109.228 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 2.21 109.058 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.54 -43.44 98.8 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.331 -0.856 . . . . 2.79 109.007 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.68 -57.98 9.72 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.646 -0.659 . . . . 0.45 109.644 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 30.7 mm-40 -51.67 -39.34 58.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.339 -0.85 . . . . 1.68 109.741 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.69 -52.46 60.53 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.234 -0.916 . . . . 0.43 110.182 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.02 -47.37 86.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 0.28 109.214 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 42.1 ttp180 -50.97 -42.33 59.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.239 -0.913 . . . . 2.52 109.536 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.82 -41.93 87.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.909 . . . . 1.75 109.782 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.02 -48.02 82.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.161 -0.962 . . . . 0.31 109.397 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -56.46 -47.73 78.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 1.21 109.515 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.34 -39.85 94.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.932 . . . . 1.69 109.744 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.67 72.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.27 109.733 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.08 -44.6 96.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.3 109.607 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.63 -33.89 72.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 1.93 109.516 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -65.12 -52.16 57.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.408 -0.808 . . . . 0.4 109.247 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.21 -44.35 97.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 1.59 109.187 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 -35.16 68.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.503 -0.748 . . . . 1.43 109.508 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -38.74 84.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 0.65 109.7 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.62 -7.0 59.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 1.19 109.687 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.04 7.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 1.22 109.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 -2.99 87.49 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.182 -1.167 . . . . 1.53 110.182 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -84.83 24.03 1.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.038 -1.272 . . . . 4.21 109.682 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' B' ' 360' ' ' GLY . 52.3 mt-10 -46.73 110.06 1.17 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.359 -0.838 . . . . 5.68 109.548 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.33 7.02 0.25 Allowed 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 120.73 0.953 . . . . 5.57 110.22 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.529 -1.428 . . . . 7.2 109.529 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.487 -0.56 . . . . 8.96 109.487 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.22 -107.62 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.875 . . . . 8.15 109.495 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 51.82 82.11 0.25 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 7.15 109.641 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.07 -170.83 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.33 1.353 . . . . 4.35 110.115 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.13 109.48 14.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 4.63 109.363 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.69 -106.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 2.85 109.665 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.439 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -69.27 147.95 46.64 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.862 -1.295 . . . . 1.12 109.862 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.26 141.24 56.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -1.073 . . . . 2.11 109.664 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.41 155.83 16.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.287 -0.883 . . . . 0.64 109.388 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.8 1.68 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.49 109.5 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.7 p -152.07 147.42 26.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.149 -0.97 . . . . 0.47 109.171 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.0 133.81 35.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.484 -0.76 . . . . 0.42 110.312 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.12 129.46 34.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.458 -0.776 . . . . 1.81 109.08 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -124.11 118.88 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.437 -0.789 . . . . 0.42 109.259 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.427 HH21 ' H ' ' A' ' 325' ' ' GLY . 4.1 tmt_? -74.14 151.99 39.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 2.35 110.278 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.61 140.1 2.5 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.282 -1.127 . . . . 0.41 110.282 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.466 HH11 ' HG3' ' C' ' 335' ' ' ARG . 6.6 ttm-85 -79.93 -44.51 20.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -1.087 . . . . 2.59 109.247 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.08 -41.92 84.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 2.54 109.106 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.289 -0.882 . . . . 3.39 109.061 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.83 -57.88 10.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.666 -0.646 . . . . 0.47 109.641 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 30.5 mm-40 -51.7 -39.19 57.9 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.818 . . . . 1.66 109.852 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.5 ttp -63.8 -52.4 60.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.213 -0.929 . . . . 0.61 110.168 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.18 -47.28 86.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.181 -0.95 . . . . 0.33 109.16 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 42.2 ttp180 -50.86 -42.42 58.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.222 -0.924 . . . . 3.28 109.588 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.82 -41.95 88.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.294 -0.879 . . . . 1.78 109.773 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.0 -47.96 82.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.899 . . . . 0.38 109.38 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -56.55 -47.74 78.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.877 . . . . 1.2 109.495 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.28 -39.8 94.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 2.12 109.729 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.95 -50.76 72.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.199 -0.938 . . . . 0.26 109.679 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.02 -44.62 96.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.354 -0.841 . . . . 0.4 109.654 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -33.94 72.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 2.09 109.482 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -65.03 -52.24 57.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.384 -0.823 . . . . 0.75 109.217 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.16 -44.36 97.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.326 -0.859 . . . . 2.19 109.22 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.85 -35.26 68.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.473 -0.767 . . . . 1.34 109.506 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.76 84.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.72 109.707 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.71 -6.9 59.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 1.8 109.602 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.03 7.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.094 -1.004 . . . . 1.39 109.427 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 -2.9 87.5 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.239 -1.144 . . . . 1.66 110.239 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.8 23.86 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.955 -1.321 . . . . 4.45 109.638 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' C' ' 360' ' ' GLY . 52.5 mt-10 -46.71 110.03 1.16 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 6.19 109.487 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.2 6.8 0.27 Allowed 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 120.799 0.999 . . . . 5.58 110.251 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.353 0 CA-C-O 118.012 -1.438 . . . . 6.9 109.646 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.315 0.578 . . . . 7.36 109.502 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.27 -107.73 0.39 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.273 -0.892 . . . . 7.15 109.446 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 51.94 82.01 0.25 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 120.824 -1.172 . . . . 6.5 109.658 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -63.97 -170.85 0.13 Allowed 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.378 1.385 . . . . 4.5 110.084 -179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.12 109.44 14.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 4.32 109.318 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.76 -106.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 2.46 109.577 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.461 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -69.27 147.94 46.63 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.842 -1.303 . . . . 0.97 109.842 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.23 141.22 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.67 109.729 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.37 155.81 16.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.219 -0.925 . . . . 0.61 109.434 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.12 -164.67 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.345 -0.847 . . . . 0.56 109.571 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.1 p -152.02 147.56 26.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.252 -0.905 . . . . 0.43 109.157 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.14 133.82 35.71 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.35 110.232 -178.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.14 129.4 34.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.484 -0.76 . . . . 1.37 109.098 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.08 119.04 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.515 -0.74 . . . . 0.48 109.207 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.459 HH21 ' H ' ' B' ' 325' ' ' GLY . 4.1 tmt_? -74.18 152.07 39.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 2.08 110.223 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.48 140.04 2.44 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.335 -1.106 . . . . 0.4 110.335 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.486 ' HG3' HH11 ' D' ' 335' ' ' ARG . 6.6 ttm-85 -79.84 -44.54 20.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 2.64 109.215 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.1 -41.88 84.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.303 -0.873 . . . . 2.22 109.038 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.51 -43.5 98.67 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.293 -0.879 . . . . 2.74 108.993 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.68 -57.94 9.9 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.404 0.621 . . . . 0.43 109.665 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 30.5 mm-40 -51.66 -39.38 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 1.69 109.798 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.57 -52.52 60.67 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.252 -0.905 . . . . 0.43 110.182 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.07 -47.35 86.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.27 109.151 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 42.2 ttp180 -50.87 -42.45 58.92 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.289 -0.882 . . . . 2.45 109.548 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.88 -41.82 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 1.75 109.706 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.971 . . . . 0.31 109.325 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.41 -47.76 78.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.22 109.534 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.33 -39.91 94.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.73 109.745 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.76 -50.84 72.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.198 -0.939 . . . . 0.28 109.712 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.99 -44.59 96.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.387 -0.82 . . . . 0.31 109.65 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.67 -33.96 72.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.147 -0.971 . . . . 1.91 109.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' C' ' 350' ' ' LEU . 2.4 tt -64.89 -52.35 57.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 0.43 109.248 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.2 -44.29 97.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.263 -0.898 . . . . 1.57 109.225 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.84 -35.33 68.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.542 -0.724 . . . . 1.44 109.51 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.76 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.64 109.751 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.63 -6.92 59.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 1.21 109.69 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -0.99 7.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.107 -0.996 . . . . 1.22 109.443 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 -2.93 87.56 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.218 -1.153 . . . . 1.5 110.218 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.84 23.91 1.12 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.303 . . . . 4.18 109.6 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' D' ' 360' ' ' GLY . 52.4 mt-10 -46.61 110.03 1.15 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.386 -0.821 . . . . 5.67 109.565 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.29 6.83 0.27 Allowed 'Trans proline' 0 N--CA 1.479 0.668 0 C-N-CA 120.792 0.995 . . . . 5.65 110.248 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.043 -1.42 . . . . 7.27 109.577 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.442 ' CG ' ' H ' ' A' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.347 -0.612 . . . . 7.33 109.347 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.442 ' H ' ' CG ' ' A' ' 319' ' ' LYS . 29.5 mtmt 59.16 113.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.329 -0.857 . . . . 7.21 109.479 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 323' ' ' LEU . 63.5 mttm 54.3 70.33 1.75 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.308 -0.87 . . . . 6.47 109.338 -179.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.06 24.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.154 1.903 . . . . 4.53 110.749 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.5 mt -79.2 104.75 10.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.822 -1.174 . . . . 4.35 109.029 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -81.11 -145.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.468 -0.77 . . . . 2.48 109.984 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 172.28 34.46 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.863 -1.295 . . . . 0.98 109.863 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.01 135.61 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -1.064 . . . . 1.7 109.603 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -94.01 155.11 17.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.391 -0.818 . . . . 0.61 109.517 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.504 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 88.1 m-85 -136.59 -170.0 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.742 . . . . 0.58 109.162 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.65 150.42 30.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.285 -0.885 . . . . 0.42 108.921 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -145.85 136.79 24.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.832 . . . . 0.36 109.752 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 26.3 tp60 -84.68 129.68 34.8 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.606 -0.887 . . . . 1.37 108.606 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.89 114.72 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.46 -0.775 . . . . 0.47 109.537 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.84 151.1 39.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.67 -0.644 . . . . 2.1 110.01 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.58 2.07 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.372 -1.091 . . . . 0.42 110.372 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.534 ' NH1' ' HG2' ' A' ' 335' ' ' ARG . 3.7 tpt180 -78.57 -46.76 18.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.417 -1.049 . . . . 2.68 108.974 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.31 -43.85 83.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.187 -0.945 . . . . 2.22 108.842 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.79 -42.94 99.64 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.453 -0.779 . . . . 2.77 109.087 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.57 -57.3 12.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.43 109.774 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -52.02 -37.07 52.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.312 -0.868 . . . . 1.66 109.72 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.3 -53.23 56.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.249 -0.907 . . . . 0.44 110.067 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.58 -43.96 97.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.29 109.296 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.21 -43.33 61.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.876 . . . . 2.44 109.312 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.39 -45.56 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 1.74 109.552 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.8 -44.57 96.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.23 -0.919 . . . . 0.3 109.253 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.95 -51.11 71.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.851 . . . . 1.22 109.37 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.79 -36.45 81.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 1.72 109.365 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.65 -51.16 71.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.386 -0.822 . . . . 0.27 109.565 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.16 -42.34 99.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 0.29 109.35 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.42 -40.97 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.332 -0.855 . . . . 1.91 108.963 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.43 -42.2 98.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.277 -0.889 . . . . 0.41 108.654 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.17 -46.48 88.75 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.639 -0.874 . . . . 1.56 108.639 178.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -34.69 67.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.758 -0.588 . . . . 1.43 109.42 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -26.72 67.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.66 109.244 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -83.49 -12.93 55.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.362 -0.836 . . . . 1.18 109.339 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.25 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 1.23 109.468 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.62 75.54 0.41 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.564 -1.414 . . . . 1.54 109.564 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -85.95 -75.05 0.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -1.107 . . . . 4.18 109.087 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 360' ' ' GLY . 28.8 mt-10 -51.7 158.03 1.72 Allowed Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.435 -0.79 . . . . 5.71 109.515 -179.834 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.4 8.34 0.12 Allowed 'Trans proline' 0 C--N 1.322 -0.829 0 C-N-CA 121.417 1.412 . . . . 5.61 110.365 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 109.383 -1.487 . . . . 7.24 109.383 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.443 ' CG ' ' H ' ' B' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.312 -0.625 . . . . 7.34 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.443 ' H ' ' CG ' ' B' ' 319' ' ' LYS . 29.7 mtmt 59.04 113.9 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.898 . . . . 7.17 109.511 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' B' ' 323' ' ' LEU . 63.9 mttm 54.38 70.03 1.87 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.3 -0.875 . . . . 6.44 109.378 -179.21 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.07 24.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.967 0 C-N-CA 122.114 1.876 . . . . 4.54 110.792 -179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.5 mt -79.21 104.7 10.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 4.32 109.041 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -81.34 -147.94 0.06 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 2.47 109.913 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -65.97 172.26 25.52 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.963 -1.255 . . . . 0.95 109.963 -179.618 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.29 135.71 57.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 1.61 109.591 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -93.99 155.16 17.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 0.57 109.43 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.523 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 87.8 m-85 -136.58 -169.88 2.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.473 -0.767 . . . . 0.53 109.122 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.8 p -151.68 150.58 30.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.255 -0.903 . . . . 0.38 108.952 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -145.98 136.72 24.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.36 109.83 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 26.2 tp60 -84.66 129.68 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.57 -0.9 . . . . 1.36 108.57 178.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.88 114.62 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.48 -0.762 . . . . 0.49 109.55 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.69 151.13 39.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.703 -0.623 . . . . 2.1 110.166 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 133.35 2.0 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.314 -1.114 . . . . 0.44 110.314 178.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.544 ' HG2' ' NH1' ' B' ' 335' ' ' ARG . 3.7 tpt180 -78.44 -46.64 19.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -1.04 . . . . 2.72 108.981 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.32 -44.17 83.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.135 -0.978 . . . . 2.21 108.717 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.71 -42.75 99.37 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 2.79 109.027 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.69 -57.34 12.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.592 -0.693 . . . . 0.45 109.733 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.96 -37.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 1.68 109.786 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.3 55.19 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.248 -0.908 . . . . 0.43 110.083 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.28 109.356 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.29 -43.35 61.62 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.339 -0.85 . . . . 2.52 109.294 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.55 93.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.75 109.585 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.85 -44.49 96.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.258 -0.901 . . . . 0.31 109.225 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.01 -51.09 71.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.286 -0.884 . . . . 1.21 109.367 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -61.85 -36.36 80.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.309 -0.87 . . . . 1.69 109.328 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.5 -51.53 69.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 0.27 109.61 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.07 -42.28 99.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 0.3 109.413 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.3 -40.95 83.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 1.93 109.011 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.7 -42.16 98.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.318 -0.864 . . . . 0.4 108.754 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.99 -46.35 89.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.585 -0.894 . . . . 1.59 108.585 178.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.98 67.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.725 -0.609 . . . . 1.43 109.498 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.61 67.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.65 109.195 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -83.47 -12.95 55.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 1.19 109.348 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -85.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 1.22 109.502 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.59 75.41 0.41 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.617 -1.393 . . . . 1.53 109.617 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -85.94 -74.96 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -1.083 . . . . 4.21 109.057 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 360' ' ' GLY . 28.2 mt-10 -51.9 157.9 1.89 Allowed Pre-proline 0 C--N 1.302 -1.466 0 O-C-N 121.484 -0.76 . . . . 5.68 109.377 -179.693 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.35 8.57 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.479 1.453 . . . . 5.57 110.377 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.405 -1.478 . . . . 7.2 109.405 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' C' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.3 -0.63 . . . . 8.96 109.3 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.44 ' H ' ' CG ' ' C' ' 319' ' ' LYS . 29.7 mtmt 59.13 114.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.321 -0.862 . . . . 8.15 109.431 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.555 ' C ' ' H ' ' C' ' 323' ' ' LEU . 63.8 mttm 54.15 70.17 1.83 Allowed Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 7.15 109.351 -179.379 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.0 24.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.318 -1.044 0 C-N-CA 122.128 1.886 . . . . 4.35 110.757 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.555 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.7 mt -79.17 104.78 10.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.843 -1.16 . . . . 4.63 109.02 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -81.26 -146.14 0.06 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.488 -0.758 . . . . 2.85 109.952 -179.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.92 172.29 33.39 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.872 -1.291 . . . . 1.12 109.872 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.19 135.51 57.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.387 -1.067 . . . . 2.11 109.514 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -93.94 155.07 17.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.91 . . . . 0.64 109.454 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.502 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 88.1 m-85 -136.58 -170.13 2.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.494 -0.754 . . . . 0.49 109.175 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.54 150.67 30.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.277 -0.89 . . . . 0.47 108.925 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -145.95 136.91 24.53 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.42 109.769 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 26.7 tp60 -84.72 129.62 34.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.583 -0.895 . . . . 1.81 108.583 178.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.83 114.67 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.391 -0.818 . . . . 0.42 109.539 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.75 150.93 39.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.589 -0.694 . . . . 2.35 110.052 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.19 133.05 2.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.4 -1.08 . . . . 0.41 110.4 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.534 ' HG2' ' NH1' ' C' ' 335' ' ' ARG . 3.7 tpt180 -78.13 -46.67 20.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -1.054 . . . . 2.59 109.093 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.32 -44.18 83.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.957 . . . . 2.54 108.768 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -61.54 -42.95 99.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.418 -0.801 . . . . 3.39 109.04 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -55.5 -57.41 12.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.551 -0.718 . . . . 0.47 109.786 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -51.97 -36.96 51.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.384 -0.822 . . . . 1.66 109.717 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.34 -53.22 55.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.24 -0.913 . . . . 0.61 110.082 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.55 -43.95 97.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.33 109.329 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.18 -43.39 61.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.311 -0.868 . . . . 3.28 109.42 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.37 -45.51 93.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.78 109.608 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.287 -0.883 . . . . 0.38 109.233 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.99 -51.16 70.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.375 -0.828 . . . . 1.2 109.415 179.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.88 -36.31 80.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 2.12 109.387 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.56 -51.4 70.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.26 109.598 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.22 -42.27 99.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.4 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -58.26 -41.08 83.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.377 -0.827 . . . . 2.09 108.966 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.55 -42.11 98.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 0.75 108.705 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -62.06 -46.38 89.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.571 -0.9 . . . . 2.19 108.571 178.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.79 -34.71 67.91 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.726 -0.609 . . . . 1.34 109.478 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -26.61 66.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.72 109.206 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -83.62 -12.96 55.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.248 -0.907 . . . . 1.8 109.312 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.2 -85.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.22 -0.925 . . . . 1.39 109.541 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.66 75.55 0.41 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.534 -1.427 . . . . 1.66 109.534 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -86.0 -75.14 0.39 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -1.116 . . . . 4.45 108.958 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' C' ' 360' ' ' GLY . 28.1 mt-10 -51.86 157.95 1.85 Allowed Pre-proline 0 C--N 1.303 -1.428 0 O-C-N 121.385 -0.822 . . . . 6.19 109.448 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.26 8.42 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.467 1.444 . . . . 5.58 110.368 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.388 -1.485 . . . . 6.9 109.388 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.45 ' CG ' ' H ' ' D' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.312 -0.625 . . . . 7.36 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.45 ' H ' ' CG ' ' D' ' 319' ' ' LYS . 29.5 mtmt 59.06 113.85 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -0.826 . . . . 7.15 109.555 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' D' ' 323' ' ' LEU . 63.5 mttm 54.27 70.15 1.83 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.838 . . . . 6.5 109.334 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.01 24.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.135 1.89 . . . . 4.5 110.807 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.7 mt -79.09 104.61 9.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.85 -1.156 . . . . 4.32 109.072 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -81.21 -146.14 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.454 -0.779 . . . . 2.46 110.019 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 172.09 33.8 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.897 -1.281 . . . . 0.97 109.897 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.0 135.66 57.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.406 -1.055 . . . . 1.67 109.591 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.99 155.06 17.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.344 -0.847 . . . . 0.61 109.422 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.495 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 87.6 m-85 -136.62 -169.93 2.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -0.755 . . . . 0.56 109.149 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.7 150.4 30.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.181 -0.949 . . . . 0.43 108.989 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.1 tp -145.88 136.85 24.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.35 109.766 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 26.2 tp60 -84.67 129.69 34.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.578 -0.897 . . . . 1.37 108.578 178.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.6 mt -123.96 114.85 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.48 109.542 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.83 151.01 39.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.612 -0.68 . . . . 2.08 110.039 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.31 2.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.409 -1.076 . . . . 0.4 110.409 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.538 ' HG2' ' NH1' ' D' ' 335' ' ' ARG . 3.7 tpt180 -78.22 -46.79 19.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.44 -1.035 . . . . 2.64 109.077 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.28 -44.0 83.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.102 -0.999 . . . . 2.22 108.822 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.445 -0.784 . . . . 2.74 109.081 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.71 -57.27 12.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.544 -0.723 . . . . 0.43 109.689 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.94 -37.21 51.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.69 109.662 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.17 57.24 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.17 -0.956 . . . . 0.43 110.089 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.54 -43.91 98.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.27 109.363 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -51.29 -43.4 61.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 2.45 109.339 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.6 92.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.319 -0.863 . . . . 1.75 109.574 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.79 -44.4 96.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.897 . . . . 0.31 109.263 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.04 -51.12 71.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.22 109.311 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -61.94 -36.21 80.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 1.73 109.342 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.31 70.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.372 -0.83 . . . . 0.28 109.598 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.06 -42.44 99.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.223 -0.923 . . . . 0.31 109.392 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.32 -40.97 83.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.345 -0.847 . . . . 1.91 108.96 179.553 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.52 -42.04 98.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.286 -0.884 . . . . 0.43 108.687 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.23 -46.5 88.57 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.594 -0.891 . . . . 1.57 108.594 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.74 67.63 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.721 -0.612 . . . . 1.44 109.413 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -26.71 66.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 0.64 109.178 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -83.58 -12.91 55.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 1.21 109.329 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.28 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 1.22 109.464 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.55 75.36 0.4 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.623 -1.391 . . . . 1.5 109.623 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -85.83 -75.05 0.39 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -1.139 . . . . 4.18 109.086 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' D' ' 360' ' ' GLY . 28.3 mt-10 -51.79 157.93 1.81 Allowed Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.472 -0.767 . . . . 5.67 109.382 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.27 8.57 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.484 1.456 . . . . 5.65 110.368 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.302 -1.519 . . . . 7.27 109.302 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 320' ' ' LYS . 61.3 mttm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.34 0.591 . . . . 7.33 109.56 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 319' ' ' LYS . 75.0 tttt 56.26 105.29 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -0.846 . . . . 7.21 109.907 179.57 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 323' ' ' LEU . 26.5 mmtm 50.44 70.96 1.71 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.374 -0.829 . . . . 6.47 109.612 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.47 11.9 0.16 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.612 1.541 . . . . 4.53 110.016 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.0 mt -80.22 54.08 1.9 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.242 -0.911 . . . . 4.35 109.253 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 0.8 OUTLIER -79.7 -135.21 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.661 -0.649 . . . . 2.48 109.542 -179.914 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.14 152.69 52.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.438 . . . . 0.98 109.504 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -58.64 132.3 53.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -1.092 . . . . 1.7 109.531 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.85 157.63 16.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.61 109.458 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.8 -169.78 2.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.332 -0.855 . . . . 0.58 109.4 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.98 149.71 29.92 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.571 -0.9 . . . . 0.42 108.571 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.27 133.29 24.22 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.36 109.606 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -84.23 130.67 34.81 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.607 -0.886 . . . . 1.37 108.607 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.93 117.0 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.465 -0.772 . . . . 0.47 109.418 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.32 152.38 38.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.543 -0.723 . . . . 2.1 109.959 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 134.23 1.3 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.386 -1.086 . . . . 0.42 110.386 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -80.45 -43.56 20.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.399 -1.059 . . . . 2.68 109.134 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -58.77 -42.95 90.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.154 -0.966 . . . . 2.22 108.911 179.462 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.18 -41.22 99.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.385 -0.822 . . . . 2.77 109.148 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -55.77 -55.72 29.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.561 -0.712 . . . . 0.43 109.73 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -51.59 -38.36 54.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.66 109.823 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.39 -51.57 67.05 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.303 -0.873 . . . . 0.44 109.971 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.1 -45.01 96.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.2 -0.937 . . . . 0.29 108.959 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.49 -42.39 61.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 2.44 109.416 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.38 -53.39 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.874 . . . . 1.74 109.631 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.91 -38.3 81.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 0.3 108.815 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.74 31.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.399 -0.813 . . . . 1.22 109.154 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.41 -31.71 72.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.39 -0.819 . . . . 1.72 109.356 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.56 -54.09 51.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.27 109.915 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.0 -44.83 96.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.29 109.253 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -58.57 -34.76 71.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.91 108.993 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -64.19 -50.5 67.85 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.968 -0.753 . . . . 0.41 108.968 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.687 -0.857 . . . . 1.56 108.687 179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.47 -32.08 64.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.205 -0.665 . . . . 1.43 109.205 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.89 83.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.38 -0.825 . . . . 0.66 109.569 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -81.38 -5.03 57.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.287 -0.883 . . . . 1.18 109.344 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.32 -1.84 11.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.218 -0.926 . . . . 1.23 109.068 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.9 -79.03 0.54 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.429 -1.468 . . . . 1.54 109.429 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -82.89 124.94 30.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -1.139 . . . . 4.18 109.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.73 148.96 6.51 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.314 -0.866 . . . . 5.71 108.985 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -52.01 146.63 29.05 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.098 1.199 . . . . 5.61 110.01 179.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.976 -1.458 . . . . 7.24 109.482 179.908 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 320' ' ' LYS . 61.4 mttm . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.309 0.576 . . . . 7.34 109.515 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 319' ' ' LYS . 74.9 tttt 56.31 105.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 7.17 109.947 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 323' ' ' LEU . 26.4 mmtm 50.41 70.86 1.77 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 6.44 109.669 179.611 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.36 11.9 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.576 1.517 . . . . 4.54 110.042 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.0 mt -80.1 53.94 1.83 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 4.32 109.22 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 0.8 OUTLIER -79.67 -135.54 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.701 -0.624 . . . . 2.47 109.6 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.6 152.58 52.68 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.518 -1.433 . . . . 0.95 109.518 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -58.63 132.25 53.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 1.61 109.54 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -92.82 157.59 16.32 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.239 -0.913 . . . . 0.57 109.434 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.82 -169.85 2.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.53 109.319 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.92 149.92 30.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.579 -0.897 . . . . 0.38 108.579 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -143.37 133.32 24.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.358 -0.839 . . . . 0.36 109.594 -178.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.17 130.59 34.83 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.641 -0.874 . . . . 1.36 108.641 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.85 117.0 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.427 -0.796 . . . . 0.49 109.429 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.31 152.31 38.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.678 -0.639 . . . . 2.1 109.931 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.37 134.49 1.35 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.362 -1.095 . . . . 0.44 110.362 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.67 -43.6 20.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.477 -1.014 . . . . 2.72 109.035 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.68 -43.02 89.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.233 -0.917 . . . . 2.21 108.944 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.19 -41.12 99.14 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.345 -0.847 . . . . 2.79 109.133 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -55.84 -55.59 30.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.454 -0.779 . . . . 0.45 109.769 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -51.62 -38.49 54.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.68 109.729 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -62.26 -51.67 66.8 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.227 -0.921 . . . . 0.43 110.052 -179.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.08 -44.88 96.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.108 -0.995 . . . . 0.28 109.007 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -51.48 -42.61 61.76 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.201 -0.937 . . . . 2.52 109.447 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.1 -53.41 58.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.872 . . . . 1.75 109.748 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.86 -38.47 82.23 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.31 108.821 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.68 31.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 1.21 109.118 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -31.78 73.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.827 . . . . 1.69 109.361 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.67 -53.97 52.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 0.27 109.83 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.0 -44.86 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.3 109.226 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.54 -34.75 71.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.901 . . . . 1.93 108.942 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -64.1 -50.46 68.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.49 -0.756 . . . . 0.4 109.001 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.29 -46.8 88.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.646 -0.872 . . . . 1.59 108.646 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.1 64.58 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.621 -0.674 . . . . 1.43 109.187 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.01 84.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 0.65 109.638 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.418 ' NE2' HD21 ' A' ' 350' ' ' LEU . 79.0 mt-30 -81.41 -5.06 57.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 1.19 109.318 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.16 -2.03 11.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 1.22 109.127 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.87 -78.81 0.55 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.458 -1.457 . . . . 1.53 109.458 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.03 124.93 30.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.308 -1.113 . . . . 4.21 109.302 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.69 148.97 6.43 Favored Pre-proline 0 N--CA 1.488 1.475 0 O-C-N 121.287 -0.883 . . . . 5.68 109.066 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -52.06 146.18 31.02 Favored 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 121.077 1.185 . . . . 5.57 110.085 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.941 -1.477 . . . . 7.2 109.552 179.954 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.337 0.589 . . . . 8.96 109.521 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 56.18 105.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.295 -0.878 . . . . 8.15 109.956 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' C' ' 323' ' ' LEU . 26.6 mmtm 50.4 70.92 1.74 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 7.15 109.678 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.34 11.93 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.617 1.545 . . . . 4.35 110.072 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.0 mt -80.12 53.9 1.83 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 4.63 109.304 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' C' ' 324' ' ' ASP . 0.8 OUTLIER -79.67 -135.36 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.625 -0.672 . . . . 2.85 109.593 -179.88 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.97 152.72 52.68 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.502 -1.439 . . . . 1.12 109.502 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -58.67 132.3 53.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.346 -1.091 . . . . 2.11 109.536 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -92.92 157.62 16.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.64 109.505 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.78 -169.78 2.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.435 -0.791 . . . . 0.49 109.354 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -150.95 149.75 29.99 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.552 -0.907 . . . . 0.47 108.552 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.22 133.27 24.28 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.42 109.657 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.25 130.55 34.81 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.576 -0.898 . . . . 1.81 108.576 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -122.8 116.93 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.501 -0.75 . . . . 0.42 109.409 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.31 152.34 38.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.665 . . . . 2.35 109.949 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 134.25 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.289 -1.124 . . . . 0.41 110.289 179.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -80.46 -43.74 20.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -1.02 . . . . 2.59 109.114 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -58.72 -42.81 89.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.214 -0.929 . . . . 2.54 108.93 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.352 -0.843 . . . . 3.39 109.094 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -55.74 -55.74 28.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.437 -0.79 . . . . 0.47 109.747 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.54 -38.52 54.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.66 109.784 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.24 -51.73 66.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.368 -0.833 . . . . 0.61 109.992 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -44.83 96.85 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.33 109.091 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.51 -42.42 61.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 3.28 109.442 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.33 -53.36 58.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.78 109.738 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.97 -38.21 81.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.197 -0.939 . . . . 0.38 108.917 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -58.92 -55.74 31.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.317 -0.864 . . . . 1.2 109.106 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.43 -31.72 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.399 -0.813 . . . . 2.12 109.36 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -54.09 50.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.26 109.882 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.05 -44.75 96.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.4 109.232 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -58.63 -34.64 71.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 2.09 109.007 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -64.16 -50.41 68.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.45 -0.781 . . . . 0.75 108.936 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.43 -46.65 89.28 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.647 -0.872 . . . . 2.19 108.647 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.57 -31.96 64.73 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.627 -0.671 . . . . 1.34 109.212 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.11 83.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.396 -0.815 . . . . 0.72 109.569 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -81.22 -5.14 57.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.91 . . . . 1.8 109.388 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -1.89 11.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.909 . . . . 1.39 109.048 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.8 -79.07 0.54 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.404 -1.479 . . . . 1.66 109.404 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -83.03 124.95 30.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.309 -1.112 . . . . 4.45 109.303 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -50.75 149.08 6.43 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.301 -0.874 . . . . 6.19 108.999 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -52.16 146.31 31.31 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.083 1.189 . . . . 5.58 110.041 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.514 -1.434 . . . . 6.9 109.514 179.986 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 61.4 mttm . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.379 0.609 . . . . 7.36 109.599 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 56.23 105.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 7.15 109.981 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' D' ' 323' ' ' LEU . 26.6 mmtm 50.44 71.0 1.69 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.315 -0.866 . . . . 6.5 109.641 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.42 11.89 0.16 Allowed 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 121.6 1.533 . . . . 4.5 109.986 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.8 mt -80.15 53.9 1.84 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.935 . . . . 4.32 109.279 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 0.8 OUTLIER -79.74 -135.28 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.575 -0.703 . . . . 2.46 109.581 -179.854 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.97 152.57 52.6 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.422 -1.471 . . . . 0.97 109.422 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.68 132.22 53.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.349 -1.089 . . . . 1.67 109.53 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -92.78 157.55 16.36 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -0.866 . . . . 0.61 109.536 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.68 -169.6 2.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.383 -0.823 . . . . 0.56 109.365 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.5 p -151.07 149.82 29.97 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.459 -0.941 . . . . 0.43 108.459 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -143.36 133.3 24.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.334 -0.854 . . . . 0.35 109.611 -178.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.3 130.67 34.79 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.634 -0.876 . . . . 1.37 108.634 179.054 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.0 mt -122.94 116.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.47 -0.769 . . . . 0.48 109.419 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.2 152.43 38.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.57 -0.706 . . . . 2.08 109.969 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.24 134.46 1.31 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.297 -1.121 . . . . 0.4 110.297 179.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.64 -43.56 20.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -1.008 . . . . 2.64 109.094 179.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.75 -43.0 90.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.276 -0.89 . . . . 2.22 108.866 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -63.23 -41.2 99.06 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.427 -0.796 . . . . 2.74 109.085 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -55.68 -55.65 29.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.436 -0.79 . . . . 0.43 109.829 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -51.63 -38.46 54.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 1.69 109.782 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.33 -51.62 66.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.307 -0.87 . . . . 0.43 109.941 -179.362 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.06 -44.85 96.77 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.169 -0.957 . . . . 0.27 109.027 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.61 -42.42 61.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.32 -0.862 . . . . 2.45 109.414 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.29 -53.38 58.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.844 . . . . 1.75 109.693 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.98 -38.29 82.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.31 108.819 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.01 -55.63 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.818 . . . . 1.22 109.095 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.38 -31.86 73.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.73 109.373 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.63 -53.89 53.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.28 109.916 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.99 -44.91 96.72 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.216 -0.928 . . . . 0.31 109.247 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -58.52 -34.79 71.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 1.91 108.947 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -64.01 -50.59 67.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.472 -0.767 . . . . 0.43 109.047 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -60.28 -46.74 88.77 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.6 -0.889 . . . . 1.57 108.6 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.07 64.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.595 -0.69 . . . . 1.44 109.228 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.99 83.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.886 . . . . 0.64 109.54 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -81.23 -5.18 57.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.21 109.372 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -1.93 11.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 1.22 109.097 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.91 -78.83 0.56 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.54 -1.424 . . . . 1.5 109.54 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.97 124.81 30.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.275 -1.133 . . . . 4.18 109.349 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.64 149.06 6.27 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.303 -0.873 . . . . 5.67 109.009 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -52.1 146.25 31.07 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.015 1.144 . . . . 5.65 110.079 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 CA-C-O 117.948 -1.473 . . . . 7.27 109.505 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 321' ' ' LYS . 97.4 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.486 -0.561 . . . . 7.33 109.486 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 322' ' ' PRO . 13.8 tptm 66.79 -10.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.49 -0.756 . . . . 7.21 110.354 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.51 ' H ' ' C ' ' A' ' 319' ' ' LYS . 19.1 mtpp 16.89 -79.74 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.53 0 CA-C-O 118.163 -0.922 . . . . 6.47 112.472 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.505 ' N ' ' O ' ' A' ' 320' ' ' LYS . 5.9 Cg_exo -50.54 123.71 11.9 Favored 'Trans proline' 0 C--O 1.215 -0.662 0 CA-C-N 120.446 1.195 . . . . 4.53 110.219 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.8 mt -81.07 139.76 35.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 4.35 109.197 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.71 -146.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.95 . . . . 2.48 109.606 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 166.74 45.4 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.623 -1.391 . . . . 0.98 109.623 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.4 134.36 56.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -1.112 . . . . 1.7 109.562 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.11 159.39 15.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 0.61 109.732 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.39 -168.94 2.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.438 -0.789 . . . . 0.58 109.402 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.73 146.96 26.14 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.138 -0.976 . . . . 0.42 109.105 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -141.01 137.11 32.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.352 -0.842 . . . . 0.36 109.894 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.49 132.74 33.92 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.056 -0.72 . . . . 1.37 109.056 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.52 114.44 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.437 -0.789 . . . . 0.47 108.982 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.18 146.64 43.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.524 -0.735 . . . . 2.1 109.812 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.56 139.73 8.7 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.862 -1.295 . . . . 0.42 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.64 -52.73 6.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -1.109 . . . . 2.68 109.477 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.04 -35.56 71.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.375 -0.828 . . . . 2.22 109.365 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.52 -40.88 96.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.366 -0.834 . . . . 2.77 109.369 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.93 -53.54 55.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.587 -0.695 . . . . 0.43 109.922 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.87 62.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 1.66 109.997 -179.581 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.32 -52.28 64.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.266 -0.897 . . . . 0.44 109.992 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.52 -43.8 98.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.29 108.812 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.2 OUTLIER -51.73 -40.9 61.03 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.408 -0.807 . . . . 2.44 109.289 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.42 -52.94 63.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 1.74 109.695 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.11 -38.45 83.02 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.128 -0.983 . . . . 0.3 108.529 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.3 -55.18 38.34 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.441 -0.787 . . . . 1.22 109.188 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.13 -32.21 73.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 1.72 109.348 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.66 -51.66 68.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.27 109.611 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.426 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.3 mt -61.57 -43.55 98.66 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 0.29 109.493 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.41 -36.02 77.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 1.91 109.391 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.45 -51.96 60.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.41 109.2 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.466 ' HZ3' ' HB2' ' B' ' 347' ' ' ALA . 3.1 ttmp? -61.74 -44.69 96.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 1.56 109.08 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -57.99 -34.52 70.07 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.619 -0.675 . . . . 1.43 109.574 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.48 74.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.66 109.983 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -82.1 -8.33 59.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.219 -0.926 . . . . 1.18 109.735 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.34 -15.27 61.88 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.165 -0.959 . . . . 1.23 109.318 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 24.24 7.68 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.533 -1.427 . . . . 1.54 109.533 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.4 124.61 32.19 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -1.162 . . . . 4.18 109.648 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.33 3.41 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 5.71 109.115 -179.861 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.31 3.97 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 121.004 1.136 . . . . 5.61 110.203 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.581 -1.408 . . . . 7.24 109.581 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' B' ' 321' ' ' LYS . 97.3 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.446 -0.575 . . . . 7.34 109.446 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' B' ' 322' ' ' PRO . 13.8 tptm 66.78 -10.71 0.28 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.521 -0.737 . . . . 7.17 110.252 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' B' ' 319' ' ' LYS . 19.1 mtpp 16.93 -79.76 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.537 0 CA-C-O 118.139 -0.934 . . . . 6.44 112.458 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' B' ' 320' ' ' LYS . 6.0 Cg_exo -50.58 123.75 12.01 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 CA-C-N 120.361 1.165 . . . . 4.54 110.238 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.11 139.72 35.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 4.32 109.167 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.69 -146.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 2.47 109.602 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 166.86 45.33 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.652 -1.379 . . . . 0.95 109.652 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.49 134.33 56.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.248 -1.148 . . . . 1.61 109.543 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.06 159.48 15.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.271 -0.893 . . . . 0.57 109.785 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.43 -168.94 2.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.403 -0.811 . . . . 0.53 109.361 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.7 147.05 26.24 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.38 109.059 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -141.14 137.07 32.48 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.38 -0.825 . . . . 0.36 109.858 -178.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.58 132.81 33.93 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.974 -0.75 . . . . 1.36 108.974 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.53 114.4 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.455 -0.778 . . . . 0.49 108.991 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.14 146.72 43.27 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.592 -0.693 . . . . 2.1 109.893 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.58 139.69 8.68 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.883 -1.287 . . . . 0.44 109.883 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -82.67 -52.71 6.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -1.076 . . . . 2.72 109.461 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.17 -35.46 71.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 2.21 109.349 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.404 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.5 tpp180 -64.64 -40.78 96.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.321 -0.862 . . . . 2.79 109.365 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -55.92 -53.6 54.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.606 -0.684 . . . . 0.45 109.899 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.54 -36.75 62.15 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.328 -0.857 . . . . 1.68 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -52.23 64.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.199 -0.938 . . . . 0.43 109.947 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.79 98.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.28 108.799 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.597 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.87 60.91 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.376 -0.828 . . . . 2.52 109.373 179.666 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -52.97 62.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.3 -0.875 . . . . 1.75 109.683 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -59.98 -38.57 82.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.132 -0.98 . . . . 0.31 108.572 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.19 -55.21 37.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.536 -0.727 . . . . 1.21 109.221 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.19 -32.12 73.43 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.314 -0.866 . . . . 1.69 109.283 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.69 -51.66 68.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.363 -0.836 . . . . 0.27 109.547 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.433 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.55 -43.68 98.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.361 -0.837 . . . . 0.3 109.466 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.27 -36.04 76.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.26 -0.9 . . . . 1.93 109.416 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.5 -51.91 60.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.4 109.228 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.73 -44.71 96.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 1.59 109.084 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.96 -34.54 70.03 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.646 -0.659 . . . . 1.43 109.549 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.38 74.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.192 -0.942 . . . . 0.65 109.927 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -82.17 -8.39 59.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.07 -1.019 . . . . 1.19 109.708 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -15.24 61.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.114 -0.991 . . . . 1.22 109.283 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 24.32 7.78 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.48 -1.448 . . . . 1.53 109.48 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.35 124.59 32.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -1.187 . . . . 4.21 109.701 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.27 3.45 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 5.68 109.123 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.26 3.98 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 121.046 1.164 . . . . 5.57 110.21 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 117.946 -1.475 . . . . 7.2 109.5 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' C' ' 321' ' ' LYS . 97.4 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.544 -0.539 . . . . 8.96 109.544 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' C' ' 322' ' ' PRO . 13.9 tptm 66.82 -10.74 0.28 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.533 -0.73 . . . . 8.15 110.273 179.628 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' C' ' 320' ' ' LYS . 19.1 mtpp 16.96 -79.82 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.491 0 CA-C-O 118.211 -0.9 . . . . 7.15 112.428 -179.861 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' C' ' 320' ' ' LYS . 6.0 Cg_exo -50.55 123.76 12.0 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 CA-C-N 120.354 1.162 . . . . 4.35 110.167 179.509 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -81.18 139.75 35.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 4.63 109.169 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.76 -146.59 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.136 -0.978 . . . . 2.85 109.591 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 166.9 45.17 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.647 -1.381 . . . . 1.12 109.647 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.56 134.31 56.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -1.127 . . . . 2.11 109.552 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -93.99 159.43 15.17 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.278 -0.889 . . . . 0.64 109.737 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.43 -168.98 2.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.354 -0.841 . . . . 0.49 109.354 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.65 147.04 26.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.251 -0.905 . . . . 0.47 109.069 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.18 137.07 32.4 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.401 -0.812 . . . . 0.42 109.855 -178.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.53 132.72 33.94 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.031 -0.729 . . . . 1.81 109.031 179.309 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 114.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.523 -0.736 . . . . 0.42 109.049 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.11 146.7 43.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.551 -0.718 . . . . 2.35 109.885 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 139.69 8.64 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.931 -1.268 . . . . 0.41 109.931 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.66 -52.71 6.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.327 -1.102 . . . . 2.59 109.512 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.07 -35.55 71.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.54 109.416 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.426 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.5 tpp180 -64.54 -40.81 96.28 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.301 -0.874 . . . . 3.39 109.385 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.96 -53.59 55.08 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.506 -0.746 . . . . 0.47 109.864 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.5 -36.79 62.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 1.66 110.01 -179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.47 -52.16 64.62 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.209 -0.932 . . . . 0.61 109.956 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.86 98.09 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.33 108.825 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.603 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.6 -40.96 60.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.347 -0.846 . . . . 3.28 109.382 179.598 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.35 -52.95 63.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 1.78 109.702 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.18 -38.44 83.26 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.173 -0.954 . . . . 0.38 108.502 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.08 -55.35 36.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.521 -0.737 . . . . 1.2 109.257 179.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.05 -32.19 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.346 -0.846 . . . . 2.12 109.347 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.73 -51.69 68.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.26 109.515 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.0 mt -61.49 -43.72 98.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.384 -0.822 . . . . 0.4 109.432 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.33 -35.98 76.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.297 -0.877 . . . . 2.09 109.383 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.47 -52.03 60.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.373 -0.829 . . . . 0.75 109.207 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.66 -44.7 96.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.343 -0.848 . . . . 2.19 109.11 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -58.03 -34.47 70.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.596 -0.69 . . . . 1.34 109.554 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.37 74.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.72 109.984 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -82.13 -8.47 59.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.096 -1.002 . . . . 1.8 109.667 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -15.31 61.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -0.969 . . . . 1.39 109.266 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 24.3 7.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.498 -1.441 . . . . 1.66 109.498 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -85.39 124.62 32.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.2 -1.176 . . . . 4.45 109.676 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' C' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.34 3.41 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 6.19 109.133 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.27 3.92 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 121.065 1.177 . . . . 5.58 110.223 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.963 -1.465 . . . . 6.9 109.501 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.501 ' C ' ' H ' ' D' ' 321' ' ' LYS . 97.3 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.453 -0.573 . . . . 7.36 109.453 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' D' ' 322' ' ' PRO . 13.9 tptm 66.76 -10.69 0.28 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.481 -0.762 . . . . 7.15 110.367 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' D' ' 319' ' ' LYS . 19.1 mtpp 16.9 -79.73 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.491 0 CA-C-O 118.259 -0.877 . . . . 6.5 112.553 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' D' ' 320' ' ' LYS . 5.9 Cg_exo -50.56 123.74 11.98 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 CA-C-N 120.35 1.161 . . . . 4.5 110.269 179.384 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.19 139.76 35.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.357 -0.839 . . . . 4.32 109.183 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.72 -146.58 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 2.46 109.572 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 166.88 45.43 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.637 -1.385 . . . . 0.97 109.637 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -58.53 134.33 56.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.299 -1.118 . . . . 1.67 109.447 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -94.03 159.38 15.19 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.61 109.738 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.35 -168.97 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.458 -0.776 . . . . 0.56 109.441 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.71 147.02 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.134 -0.979 . . . . 0.43 108.997 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.2 tp -141.1 137.05 32.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.356 -0.84 . . . . 0.35 109.833 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.51 132.74 33.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.492 -0.755 . . . . 1.37 109.073 179.169 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.5 114.33 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.43 -0.794 . . . . 0.48 109.025 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.21 146.81 43.06 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.576 -0.702 . . . . 2.08 109.831 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.54 139.72 8.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.914 -1.274 . . . . 0.4 109.914 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -82.72 -52.68 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -1.069 . . . . 2.64 109.396 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.21 -35.43 71.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.38 -0.825 . . . . 2.22 109.356 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.433 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.5 tpp180 -64.66 -40.77 96.02 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.354 -0.841 . . . . 2.74 109.345 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.95 -53.56 55.39 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.656 -0.653 . . . . 0.43 109.912 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.77 62.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.373 -0.829 . . . . 1.69 110.018 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -62.46 -52.29 64.09 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.146 -0.971 . . . . 0.43 109.868 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -43.77 98.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.13 -0.981 . . . . 0.27 108.816 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.89 60.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.4 -0.812 . . . . 2.45 109.362 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.39 -53.0 62.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.208 -0.932 . . . . 1.75 109.712 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.97 -38.56 82.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.14 -0.975 . . . . 0.31 108.598 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.21 -55.2 38.07 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.483 -0.761 . . . . 1.22 109.22 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -63.04 -32.31 73.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.479 -0.763 . . . . 1.73 109.336 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.6 -51.69 68.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.28 109.575 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.404 HD22 ' NH1' ' B' ' 337' ' ' ARG . 52.4 mt -61.44 -43.73 98.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.389 -0.819 . . . . 0.31 109.5 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.3 -35.95 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 1.91 109.491 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.49 -51.99 60.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.43 109.197 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HZ3' ' HB2' ' C' ' 347' ' ' ALA . 3.1 ttmp? -61.72 -44.75 96.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.372 -0.83 . . . . 1.57 109.077 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.94 -34.51 69.96 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.549 -0.719 . . . . 1.44 109.615 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.44 74.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.64 109.98 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -82.16 -8.39 59.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.061 -1.024 . . . . 1.21 109.681 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -15.3 61.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 1.22 109.318 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 24.4 7.54 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.557 -1.417 . . . . 1.5 109.557 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -85.44 124.61 32.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.133 -1.216 . . . . 4.18 109.666 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' D' ' 360' ' ' GLY . 3.7 pt-20 -51.16 153.31 3.4 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.308 -0.87 . . . . 5.67 109.128 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.26 3.99 0.21 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 121.09 1.193 . . . . 5.65 110.181 179.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.501 -1.44 . . . . 7.27 109.501 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.509 -0.552 . . . . 7.33 109.509 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 321' ' ' LYS . 78.3 tttt 56.91 54.79 6.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 7.21 108.838 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 3.3 pttt 62.27 147.79 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.652 0 N-CA-C 108.656 -0.868 . . . . 6.47 108.656 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.86 166.26 12.5 Favored 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 121.167 1.245 . . . . 4.53 109.886 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.98 112.93 18.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.94 . . . . 4.35 108.891 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -79.92 -122.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 2.48 109.881 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 160.62 51.17 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.867 -1.293 . . . . 0.98 109.867 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.83 134.94 57.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.371 -1.076 . . . . 1.7 109.567 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.38 15.7 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.27 -0.894 . . . . 0.61 109.566 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -136.73 -169.37 2.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.831 . . . . 0.58 109.59 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.0 146.21 26.07 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.53 -0.915 . . . . 0.42 108.53 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.85 136.85 32.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 0.36 109.696 -178.523 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.42 132.04 34.29 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.37 108.57 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.03 114.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.398 -0.814 . . . . 0.47 109.418 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.97 143.13 43.78 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.51 -0.744 . . . . 2.1 109.768 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 140.86 9.48 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 110.154 -1.178 . . . . 0.42 110.154 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -85.17 -50.4 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 2.68 109.378 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.84 -39.29 71.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 2.22 109.191 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.476 -0.765 . . . . 2.77 109.571 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -58.05 9.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.548 -0.72 . . . . 0.43 110.208 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.493 ' CD ' ' H ' ' A' ' 339' ' ' GLU . 4.3 mp0 -51.26 -36.55 42.62 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.033 -1.042 . . . . 1.66 109.897 -179.637 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.04 58.38 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.185 -0.947 . . . . 0.44 110.163 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -43.13 99.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.29 108.905 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.76 -42.63 62.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.253 -0.904 . . . . 2.44 109.4 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.49 -54.46 46.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.312 -0.868 . . . . 1.74 110.018 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.12 -38.17 82.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.215 -0.928 . . . . 0.3 108.658 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.59 -53.7 55.06 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.52 -0.737 . . . . 1.22 109.546 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -63.05 -34.34 77.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 1.72 109.807 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.71 -50.55 73.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.27 110.031 -179.531 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.14 99.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.29 109.475 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.86 -35.7 73.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.91 109.013 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.7 tt -63.42 -48.07 79.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.415 -0.803 . . . . 0.41 109.08 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 15.4 ttmm -60.64 -39.65 89.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.247 -0.908 . . . . 1.56 108.672 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.08 -47.41 81.08 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.322 -0.621 . . . . 1.43 109.322 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.96 68.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -0.779 . . . . 0.66 109.424 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -81.88 -5.05 57.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 1.18 109.295 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -80.35 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.226 -0.921 . . . . 1.23 109.318 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.53 63.19 2.27 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.57 -1.412 . . . . 1.54 109.57 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -84.97 23.66 1.18 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -1.183 . . . . 4.18 109.397 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -50.03 153.09 2.47 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 5.71 108.902 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.0 148.2 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 120.988 1.125 . . . . 5.61 109.791 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.992 -1.449 . . . . 7.24 109.52 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.204 0.526 . . . . 7.34 109.607 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 321' ' ' LYS . 78.2 tttt 56.75 54.79 6.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.204 -0.935 . . . . 7.17 108.911 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 3.3 pttt 62.27 147.89 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.565 -0.902 . . . . 6.44 108.565 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -61.9 166.25 12.6 Favored 'Trans proline' 0 N--CA 1.48 0.704 0 C-N-CA 121.114 1.209 . . . . 4.54 109.911 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.02 112.84 18.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 4.32 108.943 179.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -79.85 -123.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.143 -0.973 . . . . 2.47 109.84 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.12 160.62 50.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.952 -1.259 . . . . 0.95 109.952 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.86 134.91 57.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.317 -1.107 . . . . 1.61 109.528 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -93.63 158.46 15.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.209 -0.932 . . . . 0.57 109.649 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.81 -169.44 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.439 -0.788 . . . . 0.53 109.553 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.05 146.11 25.96 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.535 -0.913 . . . . 0.38 108.535 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -140.76 136.79 32.87 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.359 -0.838 . . . . 0.36 109.745 -178.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -85.35 132.1 34.29 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.541 -0.911 . . . . 1.36 108.541 179.137 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.08 114.17 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.453 -0.779 . . . . 0.49 109.336 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.12 143.23 43.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.562 -0.711 . . . . 2.1 109.77 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.89 9.45 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.165 -1.174 . . . . 0.44 110.165 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.579 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -85.04 -50.52 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.462 -1.022 . . . . 2.72 109.52 179.794 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.8 -39.24 71.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 2.21 109.213 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.32 -40.53 96.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.434 -0.791 . . . . 2.79 109.63 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.52 -57.95 9.79 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.551 -0.718 . . . . 0.45 110.229 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.3 mp0 -51.31 -36.56 43.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.029 -1.044 . . . . 1.68 109.902 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.1 ttp -63.44 -53.04 58.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.141 -0.974 . . . . 0.43 110.201 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.96 -43.18 99.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.28 108.93 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -51.69 -42.68 62.37 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.304 -0.872 . . . . 2.52 109.408 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.46 -54.44 46.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.75 110.028 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.1 -38.27 82.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.31 108.67 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.53 -53.68 55.28 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.444 -0.785 . . . . 1.21 109.528 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.412 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.23 77.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.381 -0.825 . . . . 1.69 109.755 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -50.67 73.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.229 -0.919 . . . . 0.27 109.952 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.4 -43.32 99.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.3 109.458 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.75 -35.51 72.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.93 109.083 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.551 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.7 tt -63.57 -48.02 79.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.527 -0.733 . . . . 0.4 109.067 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.75 -39.57 89.21 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.259 -0.901 . . . . 1.59 108.611 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 352' ' ' ASP . 5.8 m-20 -57.04 -47.41 81.01 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.581 -0.699 . . . . 1.43 109.307 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.94 68.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.65 109.356 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.9 -4.95 57.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.249 -0.907 . . . . 1.19 109.28 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.56 -80.34 0.05 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.22 109.243 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.57 63.28 2.28 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.53 -1.428 . . . . 1.53 109.53 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -85.01 23.67 1.19 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -1.131 . . . . 4.21 109.431 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -50.07 153.12 2.48 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.373 -0.829 . . . . 5.68 108.864 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.02 148.14 59.93 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.946 1.097 . . . . 5.57 109.818 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.952 -1.471 . . . . 7.2 109.58 179.92 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.535 -0.543 . . . . 8.96 109.535 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 321' ' ' LYS . 78.3 tttt 56.88 54.83 6.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 8.15 108.828 -179.586 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 320' ' ' LYS . 3.3 pttt 62.16 147.84 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.675 0 N-CA-C 108.645 -0.872 . . . . 7.15 108.645 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.9 166.2 12.7 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 121.208 1.272 . . . . 4.35 109.925 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.94 112.85 18.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 4.63 108.891 179.347 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -79.91 -122.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 2.85 109.927 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.32 160.62 50.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.875 -1.29 . . . . 1.12 109.875 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.87 134.99 57.39 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.406 -1.055 . . . . 2.11 109.566 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -93.73 158.38 15.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.226 -0.921 . . . . 0.64 109.596 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.78 -169.4 2.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.382 -0.824 . . . . 0.49 109.503 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.06 146.17 26.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.489 -0.93 . . . . 0.47 108.489 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.75 136.8 32.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 0.42 109.751 -178.494 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.38 132.08 34.29 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.546 -0.909 . . . . 1.81 108.546 179.129 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.06 114.09 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.409 -0.807 . . . . 0.42 109.37 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.03 143.22 43.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.567 -0.708 . . . . 2.35 109.758 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.84 9.43 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.171 -1.172 . . . . 0.41 110.171 179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.4 OUTLIER -85.06 -50.47 7.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.415 -1.05 . . . . 2.59 109.474 179.799 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.77 -39.31 71.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 2.54 109.223 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.24 -40.61 96.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.406 -0.809 . . . . 3.39 109.558 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -57.98 9.64 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.542 -0.724 . . . . 0.47 110.257 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' C' ' 339' ' ' GLU . 4.3 mp0 -51.35 -36.48 43.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.061 -1.024 . . . . 1.66 109.846 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.1 57.48 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.151 -0.968 . . . . 0.61 110.157 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.98 -43.11 99.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.118 -0.989 . . . . 0.33 108.884 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.77 -42.66 62.57 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 3.28 109.303 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.54 -54.4 46.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 1.78 110.011 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.12 -38.18 82.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.952 . . . . 0.38 108.701 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.75 54.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.468 -0.77 . . . . 1.2 109.477 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.424 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.14 76.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.415 -0.803 . . . . 2.12 109.795 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -50.58 73.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.367 -0.833 . . . . 0.26 109.958 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.188 -0.945 . . . . 0.4 109.459 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -35.61 73.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 2.09 109.051 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -63.51 -48.07 79.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.75 109.047 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.67 -39.58 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.564 -0.902 . . . . 2.19 108.564 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.11 -47.37 81.23 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.446 0.641 . . . . 1.34 109.278 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -28.99 68.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.397 -0.815 . . . . 0.72 109.393 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.86 -4.97 57.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 1.8 109.347 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.51 -80.32 0.05 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.207 -0.933 . . . . 1.39 109.297 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.5 63.23 2.25 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.539 -1.424 . . . . 1.66 109.539 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -85.01 23.62 1.2 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -1.108 . . . . 4.45 109.433 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -49.92 153.05 2.38 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 6.19 108.891 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.05 148.14 60.25 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.053 1.169 . . . . 5.58 109.743 179.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.962 -1.466 . . . . 6.9 109.556 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.254 0.549 . . . . 7.36 109.531 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' D' ' 321' ' ' LYS . 78.2 tttt 56.89 54.7 6.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.149 -0.97 . . . . 7.15 108.908 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' D' ' 320' ' ' LYS . 3.3 pttt 62.26 147.93 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.651 -0.87 . . . . 6.5 108.651 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.92 166.26 12.63 Favored 'Trans proline' 0 C--O 1.214 -0.69 0 C-N-CA 121.146 1.231 . . . . 4.5 109.969 179.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.02 112.85 18.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.893 . . . . 4.32 108.965 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -79.9 -122.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 2.46 109.873 -179.525 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.37 160.56 51.12 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.859 -1.297 . . . . 0.97 109.859 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.76 134.93 57.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -1.049 . . . . 1.67 109.536 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.36 15.71 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.276 -0.89 . . . . 0.61 109.525 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.78 -169.47 2.48 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.373 -0.83 . . . . 0.56 109.63 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -150.99 146.27 26.11 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.437 -0.949 . . . . 0.43 108.437 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.0 tp -140.79 136.74 32.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 0.35 109.796 -178.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.46 132.0 34.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.592 -0.892 . . . . 1.37 108.592 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.0 114.14 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.49 -0.756 . . . . 0.48 109.37 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.96 143.19 43.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.669 -0.645 . . . . 2.08 109.779 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 140.89 9.47 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.118 -1.193 . . . . 0.4 110.118 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -85.13 -50.6 7.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.394 -1.062 . . . . 2.64 109.378 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -39.25 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.391 -0.818 . . . . 2.22 109.256 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.3 -40.58 96.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.463 -0.773 . . . . 2.74 109.553 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.43 -58.07 9.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.562 -0.711 . . . . 0.43 110.178 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' D' ' 339' ' ' GLU . 4.4 mp0 -51.23 -36.59 42.47 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.98 -1.075 . . . . 1.69 109.866 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.43 -53.13 57.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.272 -0.893 . . . . 0.43 110.19 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.94 -43.17 99.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.974 . . . . 0.27 108.927 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.73 -42.6 62.42 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.333 -0.854 . . . . 2.45 109.411 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.59 -54.38 47.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.75 109.964 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.08 -38.27 82.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.107 -0.996 . . . . 0.31 108.7 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.72 54.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.48 -0.762 . . . . 1.22 109.583 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -63.06 -34.22 77.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 1.73 109.788 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.83 -50.57 73.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 0.28 109.94 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.52 -43.15 99.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.186 -0.946 . . . . 0.31 109.443 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -35.5 73.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.91 108.96 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.539 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.7 tt -63.62 -47.94 79.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.441 -0.787 . . . . 0.43 108.934 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.431 ' HG3' ' HZ3' ' D' ' 351' ' ' LYS . 15.4 ttmm -60.74 -39.69 89.62 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.224 -0.922 . . . . 1.57 108.651 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' D' ' 352' ' ' ASP . 5.7 m-20 -57.02 -47.38 81.02 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.655 -0.653 . . . . 1.44 109.315 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.93 68.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.408 -0.808 . . . . 0.64 109.375 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.93 -5.04 57.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 1.21 109.284 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -80.47 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.22 109.263 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.48 63.19 2.25 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.523 -1.431 . . . . 1.5 109.523 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -84.9 23.64 1.17 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -1.137 . . . . 4.18 109.387 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -49.92 153.07 2.38 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.186 -0.946 . . . . 5.67 108.91 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.08 148.2 60.2 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.009 1.139 . . . . 5.65 109.763 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.941 -1.477 . . . . 7.27 109.591 179.957 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.416 -0.587 . . . . 7.33 109.416 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.55 174.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.43 -0.793 . . . . 7.21 109.786 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 60.0 mttm 52.58 64.67 7.04 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.422 -0.799 . . . . 6.47 110.111 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.5 129.2 24.45 Favored 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.538 1.492 . . . . 4.53 109.935 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.26 104.83 11.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.099 -1.001 . . . . 4.35 109.451 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.66 108.37 15.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 2.48 109.727 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.555 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -70.97 148.9 45.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.639 -1.384 . . . . 0.98 109.639 179.78 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -60.84 123.05 16.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -1.114 . . . . 1.7 109.418 179.757 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 68.7 m-85 -95.98 152.07 18.85 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 0.61 109.795 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.83 135.93 30.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.332 -0.855 . . . . 0.58 108.877 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.04 160.95 14.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.313 -0.867 . . . . 0.42 109.549 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -149.24 130.68 14.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.855 . . . . 0.36 109.598 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.99 130.12 34.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.545 -0.909 . . . . 1.37 108.545 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 56.9 mt -123.54 109.39 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.617 -0.677 . . . . 0.47 109.429 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.525 HH21 ' H ' ' C' ' 325' ' ' GLY . 65.7 ttt180 -74.64 152.27 39.23 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 2.1 109.342 179.362 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.4 130.16 5.79 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.943 -1.263 . . . . 0.42 109.943 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.15 -55.67 5.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -1.037 . . . . 2.68 109.627 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.37 -38.61 74.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.22 109.611 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.9 98.13 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.259 -0.901 . . . . 2.77 109.688 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -53.93 -55.77 23.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.811 . . . . 0.43 110.012 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -51.04 -38.4 51.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.66 109.936 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.3 -52.22 62.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.189 -0.944 . . . . 0.44 110.257 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.097 -1.002 . . . . 0.29 109.321 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.0 -43.25 60.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.923 . . . . 2.44 109.303 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.84 -45.64 93.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 1.74 109.573 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.75 -47.02 87.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.262 -0.899 . . . . 0.3 109.314 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.81 -48.78 78.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 1.22 109.156 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.74 85.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.382 -0.824 . . . . 1.72 109.436 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.98 -52.75 64.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.27 109.719 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.81 -44.22 97.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.177 -0.952 . . . . 0.29 109.253 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -58.06 -36.91 73.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 1.91 108.902 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.596 HD21 ' OE1' ' B' ' 354' ' ' GLN . 4.8 tp -63.7 -41.95 98.04 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.721 -0.844 . . . . 0.41 108.721 179.689 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.43 -48.45 77.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.863 -0.791 . . . . 1.56 108.863 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.51 -32.44 58.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.312 0.577 . . . . 1.43 109.615 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.77 34.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -0.909 . . . . 0.66 109.504 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.579 ' OE1' HD21 ' B' ' 350' ' ' LEU . 68.6 mt-30 -80.74 1.43 30.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.18 109.653 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.45 -79.94 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 1.23 109.795 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.36 0.23 0.66 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 110.03 -1.228 . . . . 1.54 110.03 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 355' ' ' ALA . 16.6 tptp -86.29 145.11 27.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.1 -1.235 . . . . 4.18 109.013 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -51.68 139.43 30.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.087 -1.008 . . . . 5.71 109.299 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.88 137.2 74.89 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 120.931 1.087 . . . . 5.61 109.875 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 118.068 -1.407 . . . . 7.24 109.588 179.76 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.423 -0.584 . . . . 7.34 109.423 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 54.55 174.13 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.326 -0.859 . . . . 7.17 109.805 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 60.0 mttm 52.66 64.57 7.15 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.476 -0.765 . . . . 6.44 110.121 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.42 129.19 24.53 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.503 1.469 . . . . 4.54 109.941 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -81.25 104.75 11.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.12 -0.987 . . . . 4.32 109.453 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.53 108.88 16.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.293 -0.88 . . . . 2.47 109.697 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.545 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -71.82 148.89 43.9 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.588 -1.405 . . . . 0.95 109.588 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -60.61 122.98 16.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -1.109 . . . . 1.61 109.503 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 68.5 m-85 -95.96 152.0 18.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.331 -0.856 . . . . 0.57 109.847 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -141.79 135.8 30.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.315 -0.866 . . . . 0.53 108.935 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -96.92 161.01 14.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.336 -0.852 . . . . 0.38 109.591 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -149.12 130.65 14.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.328 -0.858 . . . . 0.36 109.676 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -85.08 130.22 34.66 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.519 -0.919 . . . . 1.36 108.519 179.159 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.52 109.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.591 -0.693 . . . . 0.49 109.456 -179.222 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.474 HH21 ' H ' ' D' ' 325' ' ' GLY . 65.7 ttt180 -74.66 152.26 39.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 2.1 109.266 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.39 130.04 5.75 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.93 -1.268 . . . . 0.44 109.93 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.08 -55.73 5.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -1.109 . . . . 2.72 109.619 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -57.41 -38.51 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.616 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.75 -41.86 98.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.372 -0.83 . . . . 2.79 109.716 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -53.99 -55.79 23.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.36 -0.838 . . . . 0.45 110.021 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.86 -38.51 49.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.321 -0.862 . . . . 1.68 109.952 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.28 -52.19 63.02 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 0.43 110.272 -179.295 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.59 -44.87 95.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.076 -1.015 . . . . 0.28 109.296 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.94 -43.24 60.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 2.52 109.305 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.93 -45.54 94.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 1.75 109.535 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.84 -46.94 87.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.31 109.312 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.76 -48.92 78.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 1.21 109.156 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.54 -37.79 85.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 1.69 109.449 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.0 -52.75 64.44 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.393 -0.817 . . . . 0.27 109.692 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.77 -44.3 97.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.3 109.197 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.03 -36.95 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.929 . . . . 1.93 108.905 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.579 HD21 ' OE1' ' A' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.4 108.823 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.46 77.81 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.878 0.846 . . . . 1.59 108.88 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.5 -32.49 58.05 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.743 -0.598 . . . . 1.43 109.682 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -52.77 34.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.65 109.585 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.596 ' OE1' HD21 ' A' ' 350' ' ' LEU . 68.6 mt-30 -80.66 1.32 30.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.374 -0.829 . . . . 1.19 109.642 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.4 -80.02 0.06 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.929 . . . . 1.22 109.739 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.42 0.35 0.65 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.007 -1.237 . . . . 1.53 110.007 -179.501 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 355' ' ' ALA . 16.7 tptp -86.39 145.15 26.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.055 -1.262 . . . . 4.21 108.97 179.479 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -51.82 139.48 31.39 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 5.68 109.26 -179.629 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.87 137.23 75.09 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 120.916 1.077 . . . . 5.57 109.894 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 118.015 -1.436 . . . . 7.2 109.561 179.744 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.429 -0.582 . . . . 8.96 109.429 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.57 174.03 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.374 -0.828 . . . . 8.15 109.733 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 60.2 mttm 52.76 64.52 7.16 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 7.15 110.003 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.41 129.18 24.52 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.527 1.485 . . . . 4.35 109.986 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.22 104.77 11.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.134 -0.979 . . . . 4.63 109.416 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.6 108.64 16.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.372 -0.83 . . . . 2.85 109.657 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.525 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -71.26 148.89 44.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.632 -1.387 . . . . 1.12 109.632 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 123.0 16.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -1.164 . . . . 2.11 109.462 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 69.4 m-85 -95.96 152.08 18.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.209 -0.932 . . . . 0.64 109.789 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -141.84 135.88 30.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.382 -0.824 . . . . 0.49 108.85 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.02 160.92 14.07 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.383 -0.823 . . . . 0.47 109.577 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.7 tp -149.09 130.77 15.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.42 109.654 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -85.04 130.06 34.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.81 108.525 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -123.54 109.45 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 CA-C-O 121.442 0.639 . . . . 0.42 109.394 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.555 HH21 ' H ' ' A' ' 325' ' ' GLY . 65.7 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 2.35 109.267 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.46 130.14 5.8 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.837 -1.305 . . . . 0.41 109.837 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.17 -55.69 5.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.329 -1.101 . . . . 2.59 109.593 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.43 -38.55 74.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 2.54 109.584 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.92 98.14 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.322 -0.861 . . . . 3.39 109.661 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -54.02 -55.83 23.66 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.471 -0.768 . . . . 0.47 109.949 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.91 -38.4 49.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 1.66 110.002 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.34 -52.2 62.78 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.237 -0.914 . . . . 0.61 110.19 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.48 -45.0 95.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.33 109.336 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.92 -43.29 59.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.223 -0.923 . . . . 3.28 109.285 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.86 -45.58 93.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 1.78 109.597 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.8 -46.98 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.938 . . . . 0.38 109.292 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.76 -48.87 78.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 1.2 109.15 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.61 -37.72 84.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 2.12 109.423 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.99 -52.82 64.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.26 109.701 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.7 -44.2 97.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.208 -0.932 . . . . 0.4 109.283 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.13 -36.9 73.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.196 -0.94 . . . . 2.09 108.867 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.546 HD21 ' OE1' ' D' ' 354' ' ' GLN . 4.7 tp -63.63 -42.04 98.19 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.799 -0.815 . . . . 0.75 108.799 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.44 -48.39 77.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.836 0.827 . . . . 2.19 108.828 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -54.52 -32.52 58.26 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.311 0.577 . . . . 1.34 109.65 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -52.65 36.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.72 109.573 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.599 ' OE1' HD21 ' D' ' 350' ' ' LEU . 68.6 mt-30 -80.84 1.44 30.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.367 -0.833 . . . . 1.8 109.589 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.46 -80.0 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.158 -0.964 . . . . 1.39 109.734 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.37 0.34 0.64 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.032 -1.227 . . . . 1.66 110.032 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' C' ' 355' ' ' ALA . 16.7 tptp -86.46 145.16 26.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -1.233 . . . . 4.45 108.955 179.535 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.72 139.45 30.41 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 6.19 109.234 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.85 137.24 75.26 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 120.851 1.034 . . . . 5.58 109.945 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.522 -1.431 . . . . 6.9 109.522 179.732 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.358 0.599 . . . . 7.36 109.468 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.5 174.17 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.358 -0.839 . . . . 7.15 109.741 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 60.1 mttm 52.62 64.65 7.05 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.416 -0.803 . . . . 6.5 110.034 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.46 129.16 24.37 Favored 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.543 1.495 . . . . 4.5 109.942 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.19 104.81 11.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.183 -0.948 . . . . 4.32 109.436 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.59 108.6 16.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.324 -0.86 . . . . 2.46 109.666 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -71.32 148.88 44.71 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.66 -1.376 . . . . 0.97 109.66 179.758 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.69 123.07 16.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -1.142 . . . . 1.67 109.478 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.493 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 69.1 m-85 -96.06 152.14 18.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.257 -0.902 . . . . 0.61 109.751 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.89 135.86 29.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -0.805 . . . . 0.56 108.896 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -96.99 161.09 13.99 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.347 -0.846 . . . . 0.43 109.552 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -149.25 130.65 14.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.35 109.68 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.97 130.11 34.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.554 -0.906 . . . . 1.37 108.554 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.0 mt -123.54 109.34 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 CA-C-O 121.451 0.643 . . . . 0.48 109.478 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.545 HH21 ' H ' ' B' ' 325' ' ' GLY . 65.6 ttt180 -74.57 152.29 39.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.396 -0.815 . . . . 2.08 109.351 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.41 130.06 5.76 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.913 -1.275 . . . . 0.4 109.913 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.03 -55.77 5.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 2.64 109.62 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.34 -38.54 74.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 2.22 109.631 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.74 -41.77 98.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.376 -0.827 . . . . 2.74 109.716 -179.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.04 -55.77 24.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.775 . . . . 0.43 109.997 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.97 -38.4 50.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.841 . . . . 1.69 109.952 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.41 -52.21 62.54 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.225 -0.922 . . . . 0.43 110.165 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.92 95.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.965 . . . . 0.27 109.346 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.97 -43.16 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.236 -0.915 . . . . 2.45 109.378 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.88 -45.64 93.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.75 109.53 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.75 -46.97 87.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.31 109.367 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.82 -48.8 78.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.12 -0.987 . . . . 1.22 109.185 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.75 85.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 1.73 109.39 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.97 -52.84 64.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.28 109.678 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.8 -44.09 97.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.31 109.263 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.25 -36.88 73.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 1.91 108.852 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.599 HD21 ' OE1' ' C' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.377 -0.827 . . . . 0.43 108.809 179.637 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.43 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.876 0.846 . . . . 1.57 108.869 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.53 -32.59 58.47 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.768 -0.582 . . . . 1.44 109.521 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.59 36.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.331 -0.856 . . . . 0.64 109.572 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.546 ' OE1' HD21 ' C' ' 350' ' ' LEU . 68.6 mt-30 -80.83 1.44 30.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.374 -0.829 . . . . 1.21 109.647 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.4 -80.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.22 109.722 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.37 0.35 0.64 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.012 -1.235 . . . . 1.5 110.012 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' D' ' 355' ' ' ALA . 16.6 tptp -86.41 145.11 26.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.12 -1.223 . . . . 4.18 108.932 179.548 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.77 139.48 30.89 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 5.67 109.278 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.83 137.24 75.31 Favored 'Trans proline' 0 C--O 1.214 -0.693 0 C-N-CA 120.902 1.068 . . . . 5.65 109.887 179.434 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.991 -1.45 . . . . 7.27 109.556 179.694 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.38 -0.6 . . . . 7.33 109.38 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 30.7 tttm 60.32 112.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.253 -0.904 . . . . 7.21 109.56 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.86 61.97 11.53 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.815 . . . . 6.47 110.228 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.52 0.23 Allowed 'Trans proline' 0 C--N 1.321 -0.921 0 C-N-CA 121.432 1.421 . . . . 4.53 109.905 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.57 25.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 4.35 109.254 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 322' ' ' PRO . 0.9 OUTLIER -80.5 -105.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.712 -0.618 . . . . 2.48 110.301 -179.594 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.04 150.37 48.85 Favored Glycine 0 N--CA 1.494 2.546 0 C-N-CA 120.278 -0.963 . . . . 0.98 110.844 -178.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.29 160.95 9.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.618 -0.93 . . . . 1.7 109.41 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.484 -0.76 . . . . 0.61 109.697 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.82 -170.75 2.76 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.404 -0.81 . . . . 0.58 109.135 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.76 149.38 28.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 0.42 108.558 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.5 tp -142.6 131.99 23.58 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.282 -0.886 . . . . 0.36 109.911 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.13 128.13 34.53 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.719 -0.845 . . . . 1.37 108.719 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.06 117.48 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.469 -0.769 . . . . 0.47 109.658 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.65 149.71 36.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.501 -0.749 . . . . 2.1 109.769 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.22 138.42 6.13 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.538 -1.025 . . . . 0.42 110.538 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' A' ' 335' ' ' ARG . 7.7 ttm-85 -83.62 -51.37 7.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.435 -1.038 . . . . 2.68 109.171 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -58.24 -38.95 77.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.413 -0.805 . . . . 2.22 109.151 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.93 -45.96 86.86 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.562 -0.903 . . . . 2.77 108.562 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.87 -50.41 70.71 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.396 0.617 . . . . 0.43 109.562 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.85 -38.22 61.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 1.66 109.889 -179.703 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.18 -50.08 73.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.249 -0.907 . . . . 0.44 110.087 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.211 -0.93 . . . . 0.29 109.189 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -52.19 -43.42 64.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 2.44 109.431 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.05 -53.53 56.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.25 -0.906 . . . . 1.74 109.764 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.22 -37.12 79.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.138 -0.976 . . . . 0.3 108.817 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.17 -55.9 29.09 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.337 -0.852 . . . . 1.22 109.189 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.03 -31.51 72.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.349 -0.845 . . . . 1.72 109.717 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -54.81 42.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.27 109.942 -179.515 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.99 -44.13 97.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.29 109.429 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.08 -37.18 76.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 1.91 109.538 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -48.9 75.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.907 . . . . 0.41 109.443 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -62.58 -45.41 93.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.329 -0.857 . . . . 1.56 109.028 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.44 -28.8 60.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.385 -0.822 . . . . 1.43 109.216 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.8 80.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.66 110.116 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -82.9 -25.73 32.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 1.18 109.755 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.88 -3.51 26.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.201 -0.937 . . . . 1.23 109.471 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.82 -79.02 0.86 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.817 -1.313 . . . . 1.54 109.817 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -86.05 99.64 11.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.234 -1.156 . . . . 4.18 109.669 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.644 ' H ' ' CD ' ' A' ' 358' ' ' GLU . 2.1 pm0 -50.53 152.33 3.37 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.254 -0.904 . . . . 5.71 108.903 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.66 123.25 13.22 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.027 1.151 . . . . 5.61 109.967 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.934 -1.481 . . . . 7.24 109.593 179.867 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.375 -0.602 . . . . 7.34 109.375 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 30.6 tttm 60.35 112.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 7.17 109.639 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.86 61.92 11.63 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 6.44 110.251 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.51 0.23 Allowed 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.413 1.409 . . . . 4.54 109.916 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.59 25.72 0.32 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 4.32 109.209 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' B' ' 322' ' ' PRO . 0.9 OUTLIER -80.44 -105.07 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.683 -0.636 . . . . 2.47 110.272 -179.535 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.57 150.49 48.29 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.237 -0.982 . . . . 0.95 110.785 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.32 160.99 9.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.949 . . . . 1.61 109.442 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.84 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.392 -0.817 . . . . 0.57 109.651 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.85 -170.76 2.77 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.485 -0.76 . . . . 0.53 109.18 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.81 149.19 28.73 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.589 -0.893 . . . . 0.38 108.589 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.38 132.11 24.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.237 -0.914 . . . . 0.36 109.927 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.14 128.02 34.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.703 -0.851 . . . . 1.36 108.703 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.97 117.41 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.494 -0.754 . . . . 0.49 109.687 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.49 149.72 36.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 2.1 109.847 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.15 138.36 6.07 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.533 -1.027 . . . . 0.44 110.533 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 335' ' ' ARG . 7.7 ttm-85 -83.52 -51.44 7.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.483 -1.01 . . . . 2.72 109.096 179.544 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.17 -38.94 77.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.325 -0.859 . . . . 2.21 109.236 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.0 -45.87 87.03 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.488 -0.93 . . . . 2.79 108.488 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.89 -50.52 70.43 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.581 -0.699 . . . . 0.45 109.511 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.76 -38.2 60.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.68 109.971 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -62.3 -49.92 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.966 . . . . 0.43 110.088 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.15 -41.42 96.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.208 -0.932 . . . . 0.28 109.238 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.17 -43.42 64.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 2.52 109.49 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.01 -53.54 56.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 1.75 109.83 -179.724 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.25 -37.05 79.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 0.31 108.782 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.21 -55.81 30.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.419 -0.801 . . . . 1.21 109.203 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.04 -31.72 73.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.404 -0.81 . . . . 1.69 109.755 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.85 -54.96 41.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 0.27 109.974 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 0.3 109.37 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.04 -37.15 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.93 109.543 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.44 -48.95 75.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.816 . . . . 0.4 109.488 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.32 93.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.349 -0.844 . . . . 1.59 109.076 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.87 60.54 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.512 -0.743 . . . . 1.43 109.211 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.77 80.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.803 . . . . 0.65 110.046 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -82.91 -25.73 32.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.087 -1.008 . . . . 1.19 109.713 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.85 -3.46 25.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.179 -0.951 . . . . 1.22 109.516 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.86 -78.97 0.87 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.831 -1.308 . . . . 1.53 109.831 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.06 99.65 11.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.196 -1.179 . . . . 4.21 109.606 -179.631 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.651 ' H ' ' CD ' ' B' ' 358' ' ' GLU . 2.1 pm0 -50.56 152.36 3.39 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 5.68 108.886 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.62 123.21 13.13 Favored 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 121.047 1.165 . . . . 5.57 109.996 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.987 -1.451 . . . . 7.2 109.595 179.868 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.41 -0.589 . . . . 8.96 109.41 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 30.6 tttm 60.41 112.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.334 -0.854 . . . . 8.15 109.591 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 51.91 61.92 11.58 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.444 -0.785 . . . . 7.15 110.195 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.44 0.23 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 121.447 1.431 . . . . 4.35 109.944 179.576 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.57 25.7 0.32 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 4.63 109.224 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' C' ' 322' ' ' PRO . 0.9 OUTLIER -80.5 -105.2 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.663 -0.648 . . . . 2.85 110.303 -179.586 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 150.33 48.42 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 120.275 -0.965 . . . . 1.12 110.846 -178.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.25 161.04 9.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.584 -0.951 . . . . 2.11 109.423 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.93 149.51 23.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.45 -0.781 . . . . 0.64 109.668 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -136.87 -170.82 2.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.443 -0.786 . . . . 0.49 109.119 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.72 149.16 28.75 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.649 -0.871 . . . . 0.47 108.649 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.3 tp -142.4 132.14 24.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.296 -0.877 . . . . 0.42 109.896 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.19 128.13 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.707 -0.849 . . . . 1.81 108.707 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -124.05 117.29 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.455 -0.778 . . . . 0.42 109.727 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.46 149.61 36.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.574 -0.704 . . . . 2.35 109.827 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.28 138.44 6.17 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.511 -1.036 . . . . 0.41 110.511 178.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.469 HH11 ' HG3' ' C' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.47 7.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -1.015 . . . . 2.59 109.082 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -38.8 77.56 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.348 -0.845 . . . . 2.54 109.238 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.08 -45.97 86.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.476 -0.935 . . . . 3.39 108.476 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.89 -50.42 70.71 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.637 -0.665 . . . . 0.47 109.529 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.78 -38.15 60.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.343 -0.848 . . . . 1.66 110.031 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.25 -50.05 73.28 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.11 -0.994 . . . . 0.61 110.12 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.02 -41.48 96.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.176 -0.953 . . . . 0.33 109.218 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.24 -43.36 64.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.107 -0.996 . . . . 3.28 109.462 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.03 -53.55 56.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 1.78 109.796 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.21 -37.08 79.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.198 -0.939 . . . . 0.38 108.785 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.16 -55.86 29.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.381 -0.824 . . . . 1.2 109.18 179.424 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.15 -31.58 72.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 2.12 109.702 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.94 -54.9 41.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.26 109.985 -179.589 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.85 -44.3 97.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.4 109.423 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.0 -37.23 76.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 2.09 109.58 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.36 -48.98 75.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 0.75 109.483 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.28 93.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 2.19 109.105 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.47 -28.82 60.69 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.506 -0.747 . . . . 1.34 109.232 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.76 80.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.72 110.129 -179.633 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -82.84 -25.79 32.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 1.8 109.747 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.49 25.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 1.39 109.522 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.83 -78.97 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.877 -1.289 . . . . 1.66 109.877 -179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -86.09 99.6 11.6 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.211 -1.17 . . . . 4.45 109.638 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' C' ' 358' ' ' GLU . 2.1 pm0 -50.47 152.45 3.25 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.831 . . . . 6.19 108.909 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.78 123.24 13.25 Favored 'Trans proline' 0 C--N 1.322 -0.865 0 C-N-CA 121.075 1.183 . . . . 5.58 109.94 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.946 -1.474 . . . . 6.9 109.616 179.917 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.395 -0.595 . . . . 7.36 109.395 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 30.7 tttm 60.38 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 7.15 109.574 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.83 62.02 11.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 6.5 110.223 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.4 Cg_endo -63.13 99.47 0.23 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.512 1.475 . . . . 4.5 109.9 179.505 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.64 25.71 0.33 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.945 . . . . 4.32 109.204 179.736 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' D' ' 322' ' ' PRO . 0.9 OUTLIER -80.41 -105.29 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.708 -0.62 . . . . 2.46 110.268 -179.609 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.24 150.41 48.61 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.222 -0.989 . . . . 0.97 110.91 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.33 161.05 9.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.636 -0.92 . . . . 1.67 109.461 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' O ' ' D' ' 322' ' ' PRO . 21.9 m-85 -101.01 149.31 24.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.374 -0.829 . . . . 0.61 109.701 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.6 -170.75 2.75 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.399 -0.813 . . . . 0.56 109.155 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.79 149.2 28.76 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.936 . . . . 0.43 108.523 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.2 tp -142.37 132.24 24.29 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.348 -0.845 . . . . 0.35 109.919 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -85.23 128.07 34.54 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.702 -0.851 . . . . 1.37 108.702 179.17 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -124.09 117.35 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.453 -0.78 . . . . 0.48 109.678 -179.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.55 149.72 36.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.748 . . . . 2.08 109.785 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.18 138.34 6.08 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.537 -1.025 . . . . 0.4 110.537 179.059 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.48 ' HG3' HH11 ' D' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.39 7.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -1.024 . . . . 2.64 109.125 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.23 -38.95 77.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 2.22 109.146 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.97 -45.95 86.81 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.48 -0.933 . . . . 2.74 108.48 179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.84 -50.48 70.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.648 -0.658 . . . . 0.43 109.537 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.81 -38.1 60.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 1.69 109.98 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -62.35 -49.96 73.51 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.225 -0.922 . . . . 0.43 110.095 -179.339 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.96 -41.51 96.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.205 -0.934 . . . . 0.27 109.27 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.27 -43.3 64.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 2.45 109.438 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.09 -53.58 56.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 1.75 109.751 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.23 -37.0 79.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 0.31 108.868 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.2 -55.86 29.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.447 -0.783 . . . . 1.22 109.211 179.37 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.14 -31.47 72.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 1.73 109.697 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.02 -54.84 42.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.28 109.982 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.97 -44.21 97.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.882 . . . . 0.31 109.427 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.08 -37.16 76.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 1.91 109.449 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.46 -48.87 75.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.43 109.42 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.61 -45.37 93.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.312 -0.868 . . . . 1.57 109.066 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.77 60.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 1.44 109.349 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.75 80.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.301 -0.875 . . . . 0.64 110.108 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -82.96 -25.75 32.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.108 -0.995 . . . . 1.21 109.7 -179.639 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -3.47 25.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.108 -0.995 . . . . 1.22 109.489 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.87 -79.03 0.87 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.815 -1.314 . . . . 1.5 109.815 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.0 99.66 11.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.25 -1.147 . . . . 4.18 109.711 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.646 ' CD ' ' H ' ' D' ' 358' ' ' GLU . 2.1 pm0 -50.53 152.43 3.32 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.93 . . . . 5.67 108.855 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.69 123.16 13.02 Favored 'Trans proline' 0 C--N 1.323 -0.794 0 C-N-CA 121.078 1.185 . . . . 5.65 109.965 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.979 -1.456 . . . . 7.27 109.582 179.896 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.516 -0.549 . . . . 7.33 109.516 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 65.03 -75.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.416 -0.802 . . . . 7.21 109.682 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 319' ' ' LYS . 84.1 mttt -155.34 69.41 5.43 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.141 -0.974 . . . . 6.47 109.514 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -71.41 86.79 0.8 Allowed 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.677 1.584 . . . . 4.53 109.887 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.55 -19.03 31.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.952 -1.092 . . . . 4.35 109.199 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 324' ' ' ASP . 0.9 OUTLIER -87.25 -17.48 32.47 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.498 -0.751 . . . . 2.48 109.791 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -71.76 98.43 0.77 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.012 -1.235 . . . . 0.98 110.012 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.29 124.84 22.78 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 121.822 -0.811 . . . . 1.7 109.492 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 66.4 m-85 -98.64 146.18 26.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.173 -0.954 . . . . 0.61 109.888 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -141.65 137.02 31.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.32 -0.862 . . . . 0.58 109.02 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.4 p -95.96 163.44 13.14 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.303 -0.873 . . . . 0.42 109.06 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 39.2 tp -150.65 133.79 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.36 110.011 -179.555 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.08 127.99 34.46 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.615 -0.883 . . . . 1.37 108.615 179.244 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.13 110.55 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.526 -0.734 . . . . 0.47 109.72 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -74.68 151.72 39.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.574 -0.704 . . . . 2.1 109.491 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.52 138.03 6.14 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.26 -1.136 . . . . 0.42 110.26 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.24 -47.11 11.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.388 -1.066 . . . . 2.68 109.378 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.59 -43.17 89.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.145 -0.972 . . . . 2.22 109.377 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.31 -41.27 96.73 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.344 -0.848 . . . . 2.77 109.567 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.71 -55.98 24.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.492 -0.755 . . . . 0.43 109.686 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.98 -42.21 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.66 109.662 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 19.0 ttp -63.39 -52.11 63.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.326 -0.859 . . . . 0.44 110.278 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.31 -48.22 82.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.29 109.077 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.54 -43.67 62.42 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.227 -0.921 . . . . 2.44 109.485 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.99 -43.95 94.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.74 110.087 -179.639 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.31 -42.47 98.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.023 . . . . 0.3 109.151 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.69 -54.21 49.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 1.22 109.567 179.682 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.496 ' HG2' ' HZ1' ' B' ' 351' ' ' LYS . 71.2 tt0 -63.6 -37.32 86.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 1.72 109.994 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.53 45.9 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.201 -0.937 . . . . 0.27 110.003 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.7 mt -61.56 -40.09 93.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.251 -0.906 . . . . 0.29 109.394 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.11 -36.42 77.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 1.91 109.406 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.31 -47.75 80.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.41 109.462 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.442 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 17.3 ttmm -62.28 -46.65 87.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 1.56 108.719 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.55 -38.07 71.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.557 -0.714 . . . . 1.43 109.164 179.55 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -25.12 65.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.66 109.613 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -83.04 -12.05 57.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 1.18 109.478 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.31 -5.81 35.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 1.23 109.312 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.11 0.8 88.96 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.702 -1.359 . . . . 1.54 109.702 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.7 5.31 32.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.207 -1.173 . . . . 4.18 109.315 -179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.41 155.11 1.88 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 5.71 108.924 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -53.68 124.02 14.79 Favored 'Trans proline' 0 C--N 1.324 -0.743 0 C-N-CA 121.145 1.23 . . . . 5.61 110.105 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.999 -1.445 . . . . 7.24 109.579 179.778 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 321' ' ' LYS . 63.4 mttm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.443 -0.577 . . . . 7.34 109.443 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 39.0 tttp 65.03 -75.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.463 -0.773 . . . . 7.17 109.632 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 319' ' ' LYS . 84.1 mttt -155.26 69.29 5.47 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.143 -0.973 . . . . 6.44 109.613 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.42 86.93 0.8 Allowed 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.632 1.555 . . . . 4.54 109.868 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.66 -19.08 31.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.954 -1.091 . . . . 4.32 109.139 179.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 0.9 OUTLIER -87.28 -16.78 34.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.537 -0.727 . . . . 2.47 109.866 -179.874 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -72.93 98.68 0.89 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.907 -1.277 . . . . 0.95 109.907 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.29 124.8 22.65 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.808 -0.819 . . . . 1.61 109.451 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 65.8 m-85 -98.64 146.16 26.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.263 -0.898 . . . . 0.57 109.938 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -141.65 136.75 31.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.311 -0.868 . . . . 0.53 109.126 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.0 p -95.66 163.42 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -0.875 . . . . 0.38 109.19 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -150.55 133.76 16.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.118 -0.989 . . . . 0.36 109.972 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.08 128.04 34.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.625 -0.88 . . . . 1.36 108.625 179.164 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -124.1 110.54 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.583 -0.698 . . . . 0.49 109.737 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.68 151.65 39.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.514 -0.741 . . . . 2.1 109.512 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.64 138.01 6.2 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.311 -1.115 . . . . 0.44 110.311 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -83.38 -47.04 11.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.48 -1.012 . . . . 2.72 109.356 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.49 -43.35 88.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.21 109.331 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -61.22 -41.42 96.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.302 -0.874 . . . . 2.79 109.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.52 -56.0 23.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.463 -0.773 . . . . 0.45 109.789 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.95 -42.28 62.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 1.68 109.686 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.34 -52.11 63.14 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.258 -0.901 . . . . 0.43 110.249 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.36 -48.18 82.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.28 109.053 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.61 -43.57 62.57 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.265 -0.897 . . . . 2.52 109.5 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.09 -43.94 95.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 1.75 110.048 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.18 -42.59 98.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.31 109.077 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.64 -54.29 48.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 1.21 109.589 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.442 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 71.0 tt0 -63.45 -37.49 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 1.69 109.98 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.53 45.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.199 -0.938 . . . . 0.27 110.028 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.54 -40.06 93.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.3 109.35 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.2 -36.38 77.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.884 . . . . 1.93 109.443 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.35 -47.77 80.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.857 . . . . 0.4 109.459 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.496 ' HZ1' ' HG2' ' A' ' 346' ' ' GLU . 17.3 ttmm -62.27 -46.51 88.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.59 108.833 179.588 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.65 -38.03 71.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.769 . . . . 1.43 109.136 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -25.17 65.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.65 109.58 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -83.05 -12.12 57.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.19 109.458 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.99 35.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 1.22 109.339 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.09 0.88 89.0 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.774 -1.331 . . . . 1.53 109.774 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -85.72 5.34 32.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.205 -1.173 . . . . 4.21 109.33 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.45 155.13 1.9 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.214 -0.929 . . . . 5.68 109.013 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -53.72 124.07 14.94 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 121.168 1.245 . . . . 5.57 110.061 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 117.987 -1.452 . . . . 7.2 109.575 179.808 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' C' ' 321' ' ' LYS . 63.4 mttm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.475 -0.565 . . . . 8.96 109.475 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 64.98 -75.53 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 8.15 109.617 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' C' ' 319' ' ' LYS . 84.0 mttt -155.32 69.43 5.44 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.1 -1.0 . . . . 7.15 109.527 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.66 87.67 0.8 Allowed 'Trans proline' 0 C--N 1.317 -1.127 0 C-N-CA 121.469 1.446 . . . . 4.35 109.782 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -86.17 -18.99 30.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.024 -1.048 . . . . 4.63 109.135 179.715 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' C' ' 324' ' ' ASP . 0.9 OUTLIER -87.43 -17.07 33.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 2.85 109.771 -179.857 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -72.2 98.5 0.81 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.973 -1.251 . . . . 1.12 109.973 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.41 124.87 22.91 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 121.871 -0.782 . . . . 2.11 109.38 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 66.2 m-85 -98.68 146.16 26.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.198 -0.939 . . . . 0.64 109.929 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -141.65 136.89 31.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.309 -0.869 . . . . 0.49 109.04 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -95.82 163.4 13.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.274 -0.891 . . . . 0.47 109.168 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.55 133.85 16.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.989 . . . . 0.42 109.95 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.18 127.96 34.48 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.593 -0.891 . . . . 1.81 108.593 179.19 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.08 110.61 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.539 -0.726 . . . . 0.42 109.718 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.64 151.63 39.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.594 -0.691 . . . . 2.35 109.503 179.544 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.55 137.86 6.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.295 -1.122 . . . . 0.41 110.295 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.12 -47.09 12.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -1.107 . . . . 2.59 109.47 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.57 -43.15 89.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.972 . . . . 2.54 109.366 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.32 -41.26 96.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.392 -0.818 . . . . 3.39 109.551 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.69 -55.96 24.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.47 109.705 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.92 -42.28 62.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 1.66 109.693 -179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.37 -52.14 62.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.281 -0.887 . . . . 0.61 110.256 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.35 -48.1 83.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 0.33 109.102 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.63 -43.64 62.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.28 -0.888 . . . . 3.28 109.449 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.97 -44.02 94.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 1.78 110.013 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.24 -42.51 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.014 . . . . 0.38 109.063 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.68 -54.23 49.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.298 -0.876 . . . . 1.2 109.578 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.459 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 71.0 tt0 -63.54 -37.39 87.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 2.12 110.05 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.52 46.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 0.26 110.015 -179.474 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -40.05 93.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.188 -0.945 . . . . 0.4 109.366 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.28 -36.35 77.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 2.09 109.376 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.31 -47.77 80.88 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.848 . . . . 0.75 109.485 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.467 ' HZ1' ' HG2' ' D' ' 346' ' ' GLU . 17.4 ttmm -62.3 -46.49 88.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 2.19 108.812 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.63 -38.04 71.55 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.526 -0.734 . . . . 1.34 109.192 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -25.13 65.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 0.72 109.655 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -83.13 -11.97 57.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.8 109.464 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.37 -5.83 35.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 1.39 109.256 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 0.86 88.9 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.732 -1.347 . . . . 1.66 109.732 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.78 5.43 32.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.161 -1.199 . . . . 4.45 109.303 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.52 155.1 1.94 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 6.19 108.968 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -53.7 124.05 14.88 Favored 'Trans proline' 0 C--N 1.323 -0.774 0 C-N-CA 121.077 1.185 . . . . 5.58 110.108 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.544 -1.422 . . . . 6.9 109.544 179.8 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' D' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.531 -0.544 . . . . 7.36 109.531 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 38.9 tttp 64.92 -75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 7.15 109.691 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' D' ' 319' ' ' LYS . 84.1 mttt -155.26 69.37 5.47 Favored Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.19 -0.944 . . . . 6.5 109.479 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.46 86.88 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.659 1.573 . . . . 4.5 109.861 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.64 -18.96 31.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 4.32 109.135 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 0.9 OUTLIER -87.37 -17.21 32.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.539 -0.725 . . . . 2.46 109.78 -179.863 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -72.18 98.54 0.82 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.014 -1.235 . . . . 0.97 110.014 -179.755 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.33 124.86 22.83 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.863 -0.787 . . . . 1.67 109.428 179.465 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 66.4 m-85 -98.62 146.22 26.05 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.098 -1.001 . . . . 0.61 109.874 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -141.74 137.01 31.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.32 -0.862 . . . . 0.56 108.994 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -95.89 163.48 13.13 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.256 -0.903 . . . . 0.43 109.098 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.65 133.77 16.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 0.35 109.918 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.04 128.06 34.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 1.37 108.619 179.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -124.13 110.53 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.573 -0.705 . . . . 0.48 109.735 -179.238 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.65 151.63 39.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.553 -0.717 . . . . 2.08 109.54 179.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.59 138.05 6.19 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.285 -1.126 . . . . 0.4 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.31 -47.04 11.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 2.64 109.409 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.58 -43.32 89.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 2.22 109.32 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.2 -41.28 96.56 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.367 -0.833 . . . . 2.74 109.559 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.61 -56.09 22.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.457 -0.777 . . . . 0.43 109.721 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.79 -42.39 62.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 1.69 109.66 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 19.0 ttp -63.33 -52.05 63.45 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.317 -0.864 . . . . 0.43 110.308 -179.382 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.43 -48.07 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.091 -1.005 . . . . 0.27 109.07 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.62 -43.64 62.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 2.45 109.481 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.02 -43.99 94.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 1.75 110.019 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.21 -42.58 98.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.31 109.095 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -58.55 -54.38 47.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.338 -0.851 . . . . 1.22 109.59 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.467 ' HG2' ' HZ1' ' C' ' 351' ' ' LYS . 71.1 tt0 -63.44 -37.34 86.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.317 -0.864 . . . . 1.73 110.085 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.64 44.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.955 . . . . 0.28 110.041 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.45 -40.19 93.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -0.945 . . . . 0.31 109.369 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.18 -36.39 77.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.176 -0.952 . . . . 1.91 109.324 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.27 -47.76 81.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.43 109.425 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.459 ' HZ1' ' HG2' ' C' ' 346' ' ' GLU . 17.4 ttmm -62.35 -46.61 87.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 1.57 108.707 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.59 -37.97 71.37 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.484 -0.76 . . . . 1.44 109.196 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.2 65.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 0.64 109.532 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -83.05 -12.02 57.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.166 -0.959 . . . . 1.21 109.408 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.29 -5.87 35.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 1.22 109.303 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 0.87 88.92 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.629 -1.388 . . . . 1.5 109.629 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.73 5.32 32.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.09 -1.241 . . . . 4.18 109.265 -179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.54 155.2 1.92 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.212 -0.93 . . . . 5.67 108.936 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -53.81 124.12 15.07 Favored 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 121.134 1.222 . . . . 5.65 110.018 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 CA-C-O 117.907 -1.496 . . . . 7.27 109.545 179.766 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.544 ' N ' ' HZ3' ' A' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.494 -0.558 . . . . 7.33 109.494 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 321' ' ' LYS . 30.1 ttpt 63.79 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 7.21 109.822 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.544 ' HZ3' ' N ' ' A' ' 319' ' ' LYS . 36.7 mmtm 58.96 149.54 0.08 OUTLIER Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.884 -0.51 . . . . 6.47 110.0 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.23 -166.82 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 121.183 1.256 . . . . 4.53 110.521 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.7 169.62 17.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.808 . . . . 4.35 109.792 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.51 -140.26 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 2.48 110.211 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.1 172.29 37.69 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.415 -1.074 . . . . 0.98 110.415 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.91 136.9 58.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.467 -1.02 . . . . 1.7 109.88 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 26.0 m-85 -99.0 158.9 15.34 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.4 -0.812 . . . . 0.61 109.906 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.55 140.66 35.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.342 -0.849 . . . . 0.58 108.984 179.517 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 51.3 p -92.52 164.0 13.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.42 109.395 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.08 131.76 14.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.148 -0.97 . . . . 0.36 110.14 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.26 128.38 34.66 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.834 -0.802 . . . . 1.37 108.834 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 67.2 mt -124.1 119.76 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.513 -0.742 . . . . 0.47 109.955 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.3 152.68 36.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.516 -0.74 . . . . 2.1 109.943 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.89 138.87 1.93 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.607 -0.997 . . . . 0.42 110.607 178.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.05 -44.09 14.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -1.04 . . . . 2.68 109.374 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.58 -43.14 93.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.05 . . . . 2.22 109.052 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 21.5 ttm180 -62.3 -41.45 98.53 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.261 -0.899 . . . . 2.77 109.243 179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.07 -57.16 12.84 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.483 -0.761 . . . . 0.43 109.594 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.21 -35.77 50.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 1.66 109.721 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.24 -53.82 47.07 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.931 . . . . 0.44 109.926 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.2 -41.97 97.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.18 -0.95 . . . . 0.29 108.834 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -51.57 -43.79 62.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.341 -0.85 . . . . 2.44 109.141 179.447 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.92 -45.2 95.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 1.74 109.793 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.66 -44.23 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.3 109.246 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.82 -49.89 75.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.183 -0.948 . . . . 1.22 109.301 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.71 -37.87 88.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.851 . . . . 1.72 109.587 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -53.11 61.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.27 109.841 -179.801 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.46 -44.62 96.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.152 -0.968 . . . . 0.29 109.372 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.41 -35.13 73.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.206 -0.934 . . . . 1.91 109.544 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.58 -50.65 66.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.41 109.457 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.67 -46.74 86.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 1.56 108.875 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 1.2 m-20 -58.55 -43.31 89.27 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.494 -0.754 . . . . 1.43 109.436 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.62 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.66 109.773 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.17 -20.62 32.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.146 -0.972 . . . . 1.18 109.638 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.94 -10.96 60.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 1.23 109.247 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 23.62 7.92 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.606 -1.398 . . . . 1.54 109.606 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.51 109.83 18.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -1.193 . . . . 4.18 109.413 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.38 152.61 4.28 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 5.71 109.357 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.71 138.17 80.45 Favored 'Trans proline' 0 C--O 1.215 -0.641 0 C-N-CA 121.054 1.169 . . . . 5.61 110.133 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.429 -1.468 . . . . 7.24 109.429 179.872 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.55 ' N ' ' HZ3' ' B' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.45 -0.574 . . . . 7.34 109.45 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 321' ' ' LYS . 30.1 ttpt 63.76 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.577 -0.702 . . . . 7.17 109.773 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.55 ' HZ3' ' N ' ' B' ' 319' ' ' LYS . 36.7 mmtm 58.87 149.52 0.08 OUTLIER Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.89 -0.506 . . . . 6.44 110.068 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -55.23 -166.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.479 0.657 0 C-N-CA 121.146 1.23 . . . . 4.54 110.534 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.73 169.65 17.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.393 -0.817 . . . . 4.32 109.723 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.56 -140.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 2.47 110.193 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 172.16 37.5 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.403 -1.079 . . . . 0.95 110.403 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.71 136.95 58.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.503 -0.998 . . . . 1.61 109.911 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 26.1 m-85 -99.16 158.91 15.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.405 -0.81 . . . . 0.57 109.875 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -140.54 140.6 35.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.413 -0.805 . . . . 0.53 108.984 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 50.1 p -92.51 164.03 13.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.358 -0.839 . . . . 0.38 109.345 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.09 131.62 14.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.36 110.169 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.16 128.5 34.69 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.792 -0.818 . . . . 1.36 108.792 179.328 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.22 119.62 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 O-C-N 121.44 -0.788 . . . . 0.49 109.985 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 152.72 36.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.499 -0.751 . . . . 2.1 110.001 179.688 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.71 138.9 1.87 Allowed Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.203 -0.998 . . . . 0.44 110.702 178.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -84.08 -44.0 14.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.324 -1.103 . . . . 2.72 109.321 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.72 -43.06 94.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.952 -1.093 . . . . 2.21 109.072 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.48 98.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 2.79 109.248 179.622 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -55.0 -57.19 12.68 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.596 -0.69 . . . . 0.45 109.632 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.22 -35.86 50.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.68 109.639 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.09 -53.78 48.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.233 -0.917 . . . . 0.43 109.973 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.33 -41.88 97.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.11 -0.994 . . . . 0.28 108.814 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.581 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.6 OUTLIER -51.6 -43.78 62.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.104 179.489 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.02 -45.12 96.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.346 -0.846 . . . . 1.75 109.738 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.67 -44.24 97.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.31 109.281 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -57.82 -49.93 75.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 1.21 109.23 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.75 -37.91 88.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.249 -0.907 . . . . 1.69 109.552 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -52.98 63.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.27 109.88 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.62 -44.45 96.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.3 109.346 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.5 -35.12 73.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.188 -0.945 . . . . 1.93 109.489 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.64 66.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.248 -0.907 . . . . 0.4 109.436 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.58 -46.71 87.06 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.344 -0.847 . . . . 1.59 108.957 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 1.2 m-20 -58.6 -43.34 89.51 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.59 -0.694 . . . . 1.43 109.411 179.687 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.59 64.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 0.65 109.809 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -84.21 -20.64 31.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.144 -0.973 . . . . 1.19 109.64 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.86 -10.94 60.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.191 -0.943 . . . . 1.22 109.254 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 23.58 7.98 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.57 -1.412 . . . . 1.53 109.57 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -85.54 109.83 18.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.285 -1.127 . . . . 4.21 109.381 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -51.33 152.62 4.19 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.321 -0.862 . . . . 5.68 109.4 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.73 138.12 80.37 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.083 1.189 . . . . 5.57 110.126 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.475 -1.45 . . . . 7.2 109.475 179.843 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.538 ' N ' ' HZ3' ' C' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.453 -0.573 . . . . 8.96 109.453 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' C' ' 321' ' ' LYS . 30.1 ttpt 63.83 -73.28 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.637 -0.664 . . . . 8.15 109.765 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.538 ' HZ3' ' N ' ' C' ' 319' ' ' LYS . 36.7 mmtm 58.96 149.49 0.08 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 122.002 -0.436 . . . . 7.15 110.083 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.24 -166.8 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.202 1.268 . . . . 4.35 110.527 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.69 169.62 17.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 4.63 109.77 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.55 -140.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.81 . . . . 2.85 110.193 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.04 172.1 37.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.335 -1.106 . . . . 1.12 110.335 -179.235 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.7 136.94 58.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.498 -1.001 . . . . 2.11 109.928 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.465 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.7 m-85 -99.05 158.94 15.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.379 -0.826 . . . . 0.64 109.881 179.808 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.61 35.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.49 108.981 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 51.0 p -92.55 163.9 13.64 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.299 -0.876 . . . . 0.47 109.298 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.02 131.77 15.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.211 -0.931 . . . . 0.42 110.154 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.27 128.46 34.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.399 -0.813 . . . . 1.81 108.833 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.2 119.67 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.488 -0.757 . . . . 0.42 109.95 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.17 152.74 36.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.459 -0.776 . . . . 2.35 109.937 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.75 138.76 1.86 Allowed Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.198 -1.001 . . . . 0.41 110.684 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -83.92 -44.04 14.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -1.063 . . . . 2.59 109.43 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.57 -43.13 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.944 -1.098 . . . . 2.54 109.087 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.41 98.49 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.36 -0.838 . . . . 3.39 109.235 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.18 -57.13 13.02 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.573 -0.705 . . . . 0.47 109.554 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.28 -35.7 50.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 1.66 109.648 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.25 -53.78 47.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.214 -0.929 . . . . 0.61 109.933 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.3 -41.92 97.78 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.187 -0.945 . . . . 0.33 108.809 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -51.58 -43.73 62.55 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.402 -0.811 . . . . 3.28 109.213 179.412 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.05 -45.24 95.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 1.78 109.625 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.6 -44.17 97.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.38 109.293 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.83 75.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.183 -0.948 . . . . 1.2 109.267 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.75 -38.04 88.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 2.12 109.507 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.19 -53.09 62.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.26 109.773 -179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.59 -44.36 97.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.873 . . . . 0.4 109.412 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.61 -34.98 73.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.909 . . . . 2.09 109.543 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.68 -50.7 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.75 109.445 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.54 -46.77 86.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.346 -0.846 . . . . 2.19 108.971 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 1.2 m-20 -58.53 -43.28 89.17 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.585 -0.697 . . . . 1.34 109.479 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -23.63 64.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 0.72 109.774 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.09 -20.74 32.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 1.8 109.626 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.84 -10.98 60.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.883 . . . . 1.39 109.311 179.685 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 23.63 7.91 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.594 -1.402 . . . . 1.66 109.594 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.58 109.95 18.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -1.165 . . . . 4.45 109.375 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -51.47 152.61 4.43 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.427 -0.796 . . . . 6.19 109.326 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -55.66 138.11 80.11 Favored 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 121.102 1.201 . . . . 5.58 110.12 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 CA-C-O 117.985 -1.453 . . . . 6.9 109.471 179.807 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.54 ' N ' ' HZ3' ' D' ' 321' ' ' LYS . 85.4 tttt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.38 -0.6 . . . . 7.36 109.38 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' D' ' 321' ' ' LYS . 30.1 ttpt 63.88 -73.24 0.05 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.479 -0.763 . . . . 7.15 109.713 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.54 ' HZ3' ' N ' ' D' ' 319' ' ' LYS . 36.6 mmtm 58.93 149.5 0.08 OUTLIER Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.827 -0.545 . . . . 6.5 110.05 179.771 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.2 -166.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 121.183 1.255 . . . . 4.5 110.534 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.68 169.68 17.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.433 -0.792 . . . . 4.32 109.724 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.61 -140.24 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 2.46 110.212 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.07 172.22 37.7 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.429 -1.068 . . . . 0.97 110.429 -179.25 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.75 136.88 58.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -1.022 . . . . 1.67 109.898 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.6 m-85 -99.0 158.91 15.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.384 -0.822 . . . . 0.61 109.963 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.6 35.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.417 -0.802 . . . . 0.56 108.948 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 50.5 p -92.45 163.93 13.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.266 -0.896 . . . . 0.43 109.382 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.01 131.76 15.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.35 110.148 -179.243 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.33 128.41 34.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.37 108.75 179.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.17 119.72 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.535 -0.728 . . . . 0.48 109.94 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 152.76 36.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.792 . . . . 2.08 109.915 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.74 138.82 1.86 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 120.207 -0.997 . . . . 0.4 110.685 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.12 -43.93 14.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.395 -1.062 . . . . 2.64 109.323 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -43.13 93.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.031 -1.043 . . . . 2.22 109.084 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 21.5 ttm180 -62.32 -41.44 98.54 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.298 -0.876 . . . . 2.74 109.258 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.01 -57.18 12.76 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.481 -0.762 . . . . 0.43 109.628 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.2 -35.81 50.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.261 -0.899 . . . . 1.69 109.708 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.21 -53.82 47.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.259 -0.901 . . . . 0.43 109.927 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.252 -0.905 . . . . 0.27 108.849 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.6 OUTLIER -51.54 -43.82 62.47 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.335 -0.853 . . . . 2.45 109.173 179.36 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.0 -45.23 95.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.378 -0.826 . . . . 1.75 109.713 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.55 -44.21 97.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.31 109.319 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.86 75.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.155 -0.966 . . . . 1.22 109.221 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -37.99 88.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 1.73 109.498 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.33 -53.1 62.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.28 109.783 -179.681 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.48 -44.46 97.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 0.31 109.397 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.58 -35.1 73.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.933 . . . . 1.91 109.492 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.58 -50.8 65.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.43 109.413 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.339 -0.851 . . . . 1.57 108.943 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.406 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 1.2 m-20 -58.56 -43.26 89.31 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.562 -0.711 . . . . 1.44 109.463 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.67 64.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.64 109.684 -179.712 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -84.11 -20.78 31.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 1.21 109.541 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.81 -10.9 60.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 1.22 109.334 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 23.61 7.99 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.586 -1.406 . . . . 1.5 109.586 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.59 109.87 18.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.228 -1.16 . . . . 4.18 109.401 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.47 152.6 4.46 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 5.67 109.317 -179.681 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -55.65 138.06 79.94 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.066 1.178 . . . . 5.65 110.121 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.008 -1.44 . . . . 7.27 109.502 179.77 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.344 -0.613 . . . . 7.33 109.344 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 60.58 27.11 16.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -0.802 . . . . 7.21 109.649 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 52.66 71.81 1.35 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 6.47 109.834 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.58 139.07 51.99 Favored 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.539 1.493 . . . . 4.53 109.725 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 39.3 mt -80.32 111.56 16.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.955 . . . . 4.35 109.217 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.15 106.58 13.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 2.48 109.861 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.93 154.38 50.92 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.795 -1.322 . . . . 0.98 109.795 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.53 125.22 22.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -1.197 . . . . 1.7 109.2 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 26.4 m-85 -96.46 149.12 22.09 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.236 -0.915 . . . . 0.61 110.328 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.54 137.87 35.8 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.544 -0.91 . . . . 0.58 108.544 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.8 p -95.27 163.89 13.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.275 -0.89 . . . . 0.42 108.991 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.13 131.8 15.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.043 -1.036 . . . . 0.36 110.193 -179.106 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.65 125.39 32.44 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.354 -0.98 . . . . 1.37 108.354 179.114 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.562 -0.711 . . . . 0.47 109.726 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.411 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.5 ttt-85 -75.64 155.75 35.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.491 -0.755 . . . . 2.1 109.801 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.98 134.88 3.16 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.033 -1.227 . . . . 0.42 110.033 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.87 -50.1 9.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -1.127 . . . . 2.68 109.461 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.87 -40.85 81.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 2.22 109.165 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.443 HH22 ' CG ' ' C' ' 352' ' ' ASP . 26.2 ttm180 -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 2.77 109.33 179.802 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.63 -56.46 18.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.554 -0.716 . . . . 0.43 109.585 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.31 -37.6 48.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 1.66 109.867 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -63.51 -53.11 57.11 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.231 -0.918 . . . . 0.44 110.445 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.45 -42.95 99.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.039 -1.038 . . . . 0.29 109.174 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.86 -42.5 62.67 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -0.934 . . . . 2.44 109.298 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.09 -46.4 90.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.267 -0.896 . . . . 1.74 109.766 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.28 -44.07 97.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.3 109.355 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -57.38 -49.76 75.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.22 109.425 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.64 -37.35 86.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.895 . . . . 1.72 109.449 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.84 -52.53 65.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.27 109.798 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 48.9 mt -61.26 -43.38 98.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.217 -0.927 . . . . 0.29 109.504 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.38 -35.98 74.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 1.91 109.406 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.61 -50.92 65.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.411 -0.806 . . . . 0.41 109.171 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.45 -43.28 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 1.56 109.07 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.516 ' CG ' HH22 ' C' ' 337' ' ' ARG . 1.3 m-20 -56.56 -33.45 66.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.571 -0.706 . . . . 1.43 109.449 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -37.77 82.5 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.66 109.736 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.68 -2.55 50.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 1.18 109.593 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.2 -81.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 1.23 109.792 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.53 68.88 0.94 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.033 -1.227 . . . . 1.54 110.033 -179.65 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.98 -80.72 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.236 . . . . 4.18 109.205 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' A' ' 360' ' ' GLY . 15.4 mm-40 -47.5 110.03 1.24 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 5.71 109.419 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.37 4.24 0.83 Allowed 'Trans proline' 0 CA--C 1.538 0.688 0 N-CA-C 109.79 -0.889 . . . . 5.61 109.79 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 118.036 -1.424 . . . . 7.24 109.552 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.27 -0.641 . . . . 7.34 109.27 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.59 27.12 16.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.537 -0.727 . . . . 7.17 109.684 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 52.66 71.85 1.34 Allowed Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.141 -0.975 . . . . 6.44 109.72 179.585 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.58 139.01 51.79 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.59 1.527 . . . . 4.54 109.718 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 39.0 mt -80.27 111.57 16.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.95 . . . . 4.32 109.197 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.12 107.1 13.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.401 -0.812 . . . . 2.47 109.8 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.504 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.88 154.4 49.8 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.672 -1.371 . . . . 0.95 109.672 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.38 125.21 22.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -1.146 . . . . 1.61 109.222 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 25.9 m-85 -96.41 149.02 22.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.134 -0.979 . . . . 0.57 110.417 -179.442 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.47 137.73 35.81 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.602 -0.888 . . . . 0.53 108.602 179.156 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.19 163.93 13.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.279 -0.888 . . . . 0.38 108.964 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.15 131.72 15.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.36 110.256 -179.091 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.47 32.52 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.304 -0.999 . . . . 1.36 108.304 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.92 112.02 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.542 -0.724 . . . . 0.49 109.697 -179.161 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.75 155.79 35.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.484 -0.76 . . . . 2.1 109.709 179.704 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.92 134.87 3.14 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.07 -1.212 . . . . 0.44 110.07 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.93 -50.08 9.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -1.09 . . . . 2.72 109.364 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.84 -40.87 81.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 2.21 109.148 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.475 HH22 ' CG ' ' D' ' 352' ' ' ASP . 26.1 ttm180 -62.03 -43.97 97.7 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 2.79 109.349 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.62 -56.38 19.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.568 -0.708 . . . . 0.45 109.625 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.43 -37.53 49.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.877 . . . . 1.68 109.845 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.64 -53.04 57.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.331 -0.856 . . . . 0.43 110.414 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.49 -42.81 99.36 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.09 -1.006 . . . . 0.28 109.227 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.88 -42.46 62.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.263 -0.898 . . . . 2.52 109.348 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.09 -46.46 90.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 1.75 109.693 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.23 -44.14 97.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 0.31 109.351 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -57.42 -49.79 75.09 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 1.21 109.269 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.62 -37.39 86.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.69 109.434 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.73 -52.58 65.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.484 -0.76 . . . . 0.27 109.86 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' B' ' 352' ' ' ASP . 49.0 mt -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.3 109.421 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.54 -35.93 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 1.93 109.333 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.64 -50.81 65.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.4 109.209 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.58 -43.19 99.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.88 . . . . 1.59 109.125 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.476 ' CG ' HH22 ' D' ' 337' ' ' ARG . 1.3 m-20 -56.57 -33.53 66.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.544 -0.722 . . . . 1.43 109.376 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.84 82.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.65 109.729 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.58 -2.63 50.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 1.19 109.66 -179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -82.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 1.22 109.776 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.49 68.84 0.93 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.985 -1.246 . . . . 1.53 109.985 -179.537 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.89 -80.83 0.22 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.151 -1.205 . . . . 4.21 109.208 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' B' ' 360' ' ' GLY . 15.3 mm-40 -47.37 109.88 1.19 Allowed Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.8 . . . . 5.68 109.418 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.3 4.28 0.8 Allowed 'Trans proline' 0 C--O 1.214 -0.711 0 N-CA-C 109.854 -0.864 . . . . 5.57 109.854 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 118.04 -1.422 . . . . 7.2 109.565 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.301 -0.629 . . . . 8.96 109.301 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 60.52 27.1 16.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.497 -0.752 . . . . 8.15 109.667 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 52.7 71.79 1.35 Allowed Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.218 -0.926 . . . . 7.15 109.762 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.61 139.02 51.65 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.512 1.474 . . . . 4.35 109.773 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 39.3 mt -80.25 111.56 16.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -0.915 . . . . 4.63 109.159 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.16 106.83 13.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 2.85 109.883 -179.718 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.497 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -72.35 154.46 50.51 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.73 -1.348 . . . . 1.12 109.73 179.804 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.59 125.22 22.75 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.246 -1.15 . . . . 2.11 109.202 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 25.6 m-85 -96.32 149.01 22.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.189 -0.944 . . . . 0.64 110.439 -179.446 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.51 137.65 35.67 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.579 -0.897 . . . . 0.49 108.579 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.2 p -95.09 163.84 13.13 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.248 -0.908 . . . . 0.47 109.048 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.05 131.8 15.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.987 . . . . 0.42 110.175 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.64 125.26 32.32 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.436 -0.95 . . . . 1.81 108.436 179.078 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.95 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.505 -0.747 . . . . 0.42 109.718 -179.142 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.5 ttt-85 -75.52 155.9 35.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 2.35 109.728 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.77 134.94 3.09 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.062 -1.215 . . . . 0.41 110.062 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.98 -50.03 9.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 2.59 109.486 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.93 -40.74 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 2.54 109.141 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.516 HH22 ' CG ' ' A' ' 352' ' ' ASP . 26.2 ttm180 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.318 -0.864 . . . . 3.39 109.365 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.543 -0.723 . . . . 0.47 109.604 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.28 -37.66 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.66 109.846 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.58 -53.04 57.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.273 -0.892 . . . . 0.61 110.428 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.49 -42.91 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.119 -0.988 . . . . 0.33 109.168 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -51.85 -42.4 62.57 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.193 -0.942 . . . . 3.28 109.374 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.13 -46.4 90.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.887 . . . . 1.78 109.73 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.24 -44.17 97.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.38 109.302 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.42 -49.68 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.26 -0.9 . . . . 1.2 109.365 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.67 -37.38 86.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.12 109.446 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.85 -52.51 65.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.26 109.833 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 48.5 mt -61.26 -43.23 99.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.966 . . . . 0.4 109.475 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.59 -35.96 75.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 2.09 109.347 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.66 -50.84 65.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.75 109.152 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.41 -43.24 99.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 2.19 109.172 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.443 ' CG ' HH22 ' A' ' 337' ' ' ARG . 1.3 m-20 -56.69 -33.36 66.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.58 -0.7 . . . . 1.34 109.412 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.74 82.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.72 109.743 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -81.69 -2.54 50.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.251 -0.906 . . . . 1.8 109.616 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.19 -81.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 1.39 109.838 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.46 68.85 0.93 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.114 -1.195 . . . . 1.66 110.114 -179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.98 -80.79 0.22 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.123 -1.222 . . . . 4.45 109.118 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' C' ' 360' ' ' GLY . 15.3 mm-40 -47.4 110.02 1.23 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 6.19 109.418 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.43 4.32 0.82 Allowed 'Trans proline' 0 CA--C 1.537 0.643 0 N-CA-C 109.777 -0.894 . . . . 5.58 109.777 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.531 -1.428 . . . . 6.9 109.531 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.358 -0.608 . . . . 7.36 109.358 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm 60.67 27.09 16.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.493 -0.755 . . . . 7.15 109.625 -179.715 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 52.71 71.76 1.36 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 6.5 109.781 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -66.52 139.01 52.13 Favored 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.515 1.477 . . . . 4.5 109.808 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.29 111.57 16.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.917 . . . . 4.32 109.195 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.12 106.78 13.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.322 -0.862 . . . . 2.46 109.892 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.504 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.31 154.41 50.5 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.727 -1.349 . . . . 0.97 109.727 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.48 125.19 22.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -1.168 . . . . 1.67 109.238 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 25.9 m-85 -96.36 149.02 22.16 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.151 -0.968 . . . . 0.61 110.345 -179.403 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.49 137.72 35.76 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.666 -0.864 . . . . 0.56 108.666 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.17 163.84 13.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.239 -0.913 . . . . 0.43 109.012 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.04 131.82 16.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.35 110.163 -179.085 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.4 32.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.408 -0.96 . . . . 1.37 108.408 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.95 111.97 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.543 -0.723 . . . . 0.48 109.74 -179.151 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.5 ttt-85 -75.55 155.84 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.426 -0.796 . . . . 2.08 109.7 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.9 134.84 3.12 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.069 -1.212 . . . . 0.4 110.069 179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.83 -50.16 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -1.07 . . . . 2.64 109.438 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.83 -40.89 81.11 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.971 . . . . 2.22 109.135 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.476 HH22 ' CG ' ' B' ' 352' ' ' ASP . 26.2 ttm180 -62.13 -43.85 97.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 2.74 109.346 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.71 -56.32 20.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.523 -0.736 . . . . 0.43 109.64 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.34 -37.63 48.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.389 -0.819 . . . . 1.69 109.851 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.55 -53.1 57.1 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.43 110.442 -179.197 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.047 -1.033 . . . . 0.27 109.179 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.9 -42.41 62.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.45 109.353 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.07 -46.46 90.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.75 109.757 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.33 -44.01 97.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.216 -0.928 . . . . 0.31 109.36 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.34 -49.82 74.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.262 -0.899 . . . . 1.22 109.362 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.72 -37.28 85.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.333 -0.854 . . . . 1.73 109.416 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.77 -52.59 65.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.28 109.893 -179.823 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' D' ' 352' ' ' ASP . 49.6 mt -61.3 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.31 109.39 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.4 -35.94 74.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 1.91 109.361 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.69 -50.86 65.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.827 . . . . 0.43 109.156 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.5 -43.18 99.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 1.57 109.061 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.475 ' CG ' HH22 ' B' ' 337' ' ' ARG . 1.3 m-20 -56.61 -33.37 66.19 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.66 -0.65 . . . . 1.44 109.426 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.78 82.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.914 . . . . 0.64 109.669 -179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -81.55 -2.72 50.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 1.21 109.692 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.14 -81.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 1.22 109.82 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.51 68.88 0.94 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.975 -1.25 . . . . 1.5 109.975 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.93 -80.86 0.22 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.162 -1.199 . . . . 4.18 109.118 179.561 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' D' ' 360' ' ' GLY . 15.4 mm-40 -47.33 109.92 1.2 Allowed Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.43 -0.794 . . . . 5.67 109.39 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.37 4.25 0.82 Allowed 'Trans proline' 0 C--O 1.214 -0.706 0 N-CA-C 109.833 -0.872 . . . . 5.65 109.833 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.336 0 CA-C-O 117.973 -1.46 . . . . 7.27 109.583 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 321' ' ' LYS . 52.6 mtpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.492 -0.558 . . . . 7.33 109.492 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 66.2 tttt 68.94 -24.89 0.14 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.482 -0.761 . . . . 7.21 109.838 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 319' ' ' LYS . 53.5 mttm 55.83 68.76 2.19 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 6.47 110.133 179.598 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.25 -153.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.408 1.405 . . . . 4.53 109.661 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.53 105.7 11.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 4.35 109.404 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -81.09 -120.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 2.48 109.441 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.95 158.61 53.06 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.421 -1.472 . . . . 0.98 109.421 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.47 135.98 57.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.206 -1.173 . . . . 1.7 109.468 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.16 159.46 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -0.91 . . . . 0.61 109.778 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.46 -170.75 3.06 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.58 109.387 -179.8 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.1 118.85 5.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.317 -0.864 . . . . 0.42 109.007 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.34 137.99 42.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.541 -0.725 . . . . 0.36 109.709 -179.448 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.77 130.46 34.84 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.606 -0.887 . . . . 1.37 108.606 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.59 114.03 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.346 -0.846 . . . . 0.47 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.5 134.35 40.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.566 -0.708 . . . . 2.1 109.393 179.466 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.06 144.17 12.57 Favored Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.881 -1.288 . . . . 0.42 109.881 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -84.97 -55.68 3.94 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.421 -1.046 . . . . 2.68 109.72 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.19 -37.02 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.306 -0.871 . . . . 2.22 109.482 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.64 -45.04 95.74 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.349 -0.844 . . . . 2.77 109.161 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.47 -57.81 10.34 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.53 -0.731 . . . . 0.43 109.763 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.61 -37.19 48.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 1.66 109.671 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -53.15 56.1 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 0.44 110.128 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -45.07 95.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.228 -0.92 . . . . 0.29 108.969 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.47 -43.22 55.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.167 -0.958 . . . . 2.44 109.293 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.89 -45.43 92.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 1.74 109.843 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.56 -45.27 94.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.3 109.178 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.16 -49.79 75.77 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.319 -0.863 . . . . 1.22 109.464 179.825 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.76 -36.22 82.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 1.72 109.673 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -54.01 51.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 0.27 109.899 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.79 -43.92 97.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.29 109.427 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.49 72.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 1.91 109.406 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.3 -48.64 74.86 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 0.41 109.422 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.9 -47.23 84.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.374 -0.829 . . . . 1.56 108.863 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.53 -41.69 81.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.567 -0.708 . . . . 1.43 109.352 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.51 64.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.66 109.731 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -83.47 -15.05 51.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 1.18 109.687 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.29 -2.95 20.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 1.23 109.314 179.586 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.2 51.88 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.905 -1.278 . . . . 1.54 109.905 -179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.99 118.37 24.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.086 -1.243 . . . . 4.18 109.335 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -51.37 152.44 4.42 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.258 -0.901 . . . . 5.71 109.352 -179.682 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.93 147.83 60.71 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 C-N-CA 121.048 1.165 . . . . 5.61 110.109 179.469 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.999 -1.445 . . . . 7.24 109.74 179.842 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' B' ' 321' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.537 -0.542 . . . . 7.34 109.537 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 66.3 tttt 68.98 -24.9 0.14 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 7.17 109.806 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' B' ' 319' ' ' LYS . 53.6 mttm 55.86 68.76 2.18 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.151 -0.968 . . . . 6.44 110.101 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -153.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 121.443 1.429 . . . . 4.54 109.67 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.53 105.8 11.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.057 -1.027 . . . . 4.32 109.35 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -81.18 -120.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.373 -0.829 . . . . 2.47 109.362 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 158.62 52.97 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.469 -1.452 . . . . 0.95 109.469 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.55 135.96 57.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -1.167 . . . . 1.61 109.462 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -93.12 159.49 15.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.57 109.695 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.48 -170.7 3.05 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.316 -0.865 . . . . 0.53 109.381 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.08 118.91 5.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.38 109.037 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.6 tp -105.39 137.95 42.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.45 -0.781 . . . . 0.36 109.723 -179.372 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.81 130.43 34.87 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.682 -0.858 . . . . 1.36 108.682 178.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.6 113.96 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.405 -0.809 . . . . 0.49 109.707 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.59 134.34 40.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.606 -0.684 . . . . 2.1 109.332 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.2 12.52 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.03 -55.69 3.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -1.076 . . . . 2.72 109.747 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.23 -37.01 71.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.321 -0.862 . . . . 2.21 109.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.54 -45.07 95.73 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.349 -0.845 . . . . 2.79 109.14 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.55 -57.76 10.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.564 -0.71 . . . . 0.45 109.724 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.58 -37.33 49.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 1.68 109.679 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.53 -53.12 56.78 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.43 110.146 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.32 -45.06 96.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.173 -0.954 . . . . 0.28 108.963 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.51 -43.16 55.65 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 2.52 109.353 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.84 -45.48 92.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.75 109.856 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.66 -45.21 95.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.187 -0.946 . . . . 0.31 109.188 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.09 -49.84 75.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 1.21 109.445 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 1.69 109.618 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.74 -53.96 52.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 0.27 109.844 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.73 -44.07 97.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 0.3 109.433 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.25 -34.44 72.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.26 -0.9 . . . . 1.93 109.52 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -48.67 74.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.4 109.391 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.83 -47.32 83.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.921 . . . . 1.59 108.804 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.46 -41.77 81.21 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.553 -0.717 . . . . 1.43 109.357 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.39 64.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 0.65 109.751 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -83.5 -15.04 50.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.174 -0.954 . . . . 1.19 109.651 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.38 -2.94 21.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 1.22 109.197 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.22 51.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.893 -1.283 . . . . 1.53 109.893 -179.658 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.95 118.37 24.5 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.1 -1.235 . . . . 4.21 109.359 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.42 152.47 4.47 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.266 -0.896 . . . . 5.68 109.3 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.91 147.73 61.0 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 121.093 1.195 . . . . 5.57 110.1 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.966 -1.463 . . . . 7.2 109.727 179.817 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' C' ' 321' ' ' LYS . 52.6 mtpt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.467 -0.568 . . . . 8.96 109.467 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 66.4 tttt 68.91 -24.96 0.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.458 -0.776 . . . . 8.15 109.813 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' C' ' 319' ' ' LYS . 53.3 mttm 55.84 68.76 2.19 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.203 -0.935 . . . . 7.15 110.165 179.663 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.34 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.423 1.415 . . . . 4.35 109.618 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 105.75 11.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.07 -1.019 . . . . 4.63 109.341 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -81.17 -120.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 2.85 109.41 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 158.63 53.1 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.369 -1.493 . . . . 1.12 109.369 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.6 136.03 57.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -1.148 . . . . 2.11 109.47 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -93.15 159.42 15.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.306 -0.872 . . . . 0.64 109.775 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.42 -170.74 3.06 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.449 -0.782 . . . . 0.49 109.329 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -153.12 118.84 5.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.258 -0.901 . . . . 0.47 108.983 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.8 tp -105.3 137.87 42.41 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.498 -0.751 . . . . 0.42 109.794 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.72 130.43 34.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.602 -0.888 . . . . 1.81 108.602 178.939 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.0 mt -123.63 113.97 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.341 -0.849 . . . . 0.42 109.739 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.19 40.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.557 -0.715 . . . . 2.35 109.45 179.497 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.23 12.54 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.911 -1.276 . . . . 0.41 109.911 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.0 -55.77 3.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.265 -1.138 . . . . 2.59 109.646 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.18 -36.99 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 2.54 109.48 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.66 -45.01 95.86 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.306 -0.871 . . . . 3.39 109.19 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.51 -57.81 10.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.535 -0.728 . . . . 0.47 109.735 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.62 -37.24 49.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.279 -0.888 . . . . 1.66 109.73 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.48 -53.22 55.44 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.167 -0.958 . . . . 0.61 110.154 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.2 -45.2 95.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.33 108.925 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.5 -43.2 55.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.302 -0.873 . . . . 3.28 109.274 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.82 -45.57 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.78 109.819 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.49 -45.23 95.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -0.91 . . . . 0.38 109.239 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.17 -49.75 75.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.231 -0.918 . . . . 1.2 109.478 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.75 -36.36 82.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.12 109.617 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.39 -54.19 49.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.26 109.939 -179.702 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.7 -43.85 98.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.4 109.544 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.35 -34.49 72.44 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.906 . . . . 2.09 109.466 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.24 -48.68 74.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.179 -0.95 . . . . 0.75 109.437 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.89 -47.22 84.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.346 -0.846 . . . . 2.19 108.821 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -57.56 -41.71 81.57 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.563 -0.71 . . . . 1.34 109.353 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -22.43 64.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.383 -0.823 . . . . 0.72 109.725 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -83.51 -14.97 51.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 1.8 109.677 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -2.95 21.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.307 -0.871 . . . . 1.39 109.263 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.97 8.29 51.53 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.92 -1.272 . . . . 1.66 109.92 -179.691 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.98 118.33 24.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.084 -1.245 . . . . 4.45 109.36 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.43 152.44 4.53 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.847 . . . . 6.19 109.284 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.81 147.79 59.63 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 121.075 1.183 . . . . 5.58 110.081 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 117.909 -1.495 . . . . 6.9 109.695 179.762 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' D' ' 321' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.5 -0.556 . . . . 7.36 109.5 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 68.98 -24.93 0.14 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 7.15 109.764 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' D' ' 319' ' ' LYS . 53.4 mttm 55.82 68.75 2.2 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.104 -0.997 . . . . 6.5 110.148 179.642 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.26 -153.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.472 1.448 . . . . 4.5 109.568 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.55 105.78 11.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.096 -1.003 . . . . 4.32 109.329 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -81.14 -120.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 2.46 109.386 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.91 158.62 52.99 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.468 -1.453 . . . . 0.97 109.468 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.54 136.01 57.45 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -1.177 . . . . 1.67 109.455 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.17 159.52 15.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.292 -0.88 . . . . 0.61 109.684 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.54 -170.76 3.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.832 . . . . 0.56 109.332 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.11 118.73 5.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.197 -0.939 . . . . 0.43 109.106 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.26 137.89 42.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.553 -0.717 . . . . 0.35 109.764 -179.234 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.82 130.56 34.83 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.546 -0.909 . . . . 1.37 108.546 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.74 113.92 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.407 -0.808 . . . . 0.48 109.664 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.38 40.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.589 -0.695 . . . . 2.08 109.406 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.1 144.24 12.6 Favored Glycine 0 N--CA 1.5 2.905 0 N-CA-C 109.86 -1.296 . . . . 0.4 109.86 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.08 -55.68 3.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.391 -1.064 . . . . 2.64 109.659 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.828 . . . . 2.22 109.434 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.7 -45.03 95.75 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.297 -0.877 . . . . 2.74 109.171 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.56 -57.81 10.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.601 -0.687 . . . . 0.43 109.634 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.55 -37.32 48.97 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.348 -0.845 . . . . 1.69 109.675 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.52 -53.2 55.65 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.234 -0.916 . . . . 0.43 110.133 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.24 -45.13 95.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.95 . . . . 0.27 108.94 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.53 -43.18 55.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.222 -0.924 . . . . 2.45 109.31 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.9 -45.49 92.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.75 109.796 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.53 -45.31 94.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.31 109.233 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.1 -49.81 75.67 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.335 -0.853 . . . . 1.22 109.458 179.763 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.76 -36.19 82.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.262 -0.899 . . . . 1.73 109.63 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.59 -54.02 51.72 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -0.894 . . . . 0.28 109.88 -179.633 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.31 109.472 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.53 72.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 1.91 109.438 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.2 -48.74 74.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 0.43 109.46 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.88 -47.26 84.08 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.352 -0.843 . . . . 1.57 108.767 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.5 -41.69 81.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.576 -0.702 . . . . 1.44 109.378 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.808 . . . . 0.64 109.737 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -83.51 -14.91 51.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.088 -1.008 . . . . 1.21 109.682 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.89 21.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 1.22 109.231 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.24 51.65 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.897 -1.281 . . . . 1.5 109.897 -179.706 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.02 118.29 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.015 -1.285 . . . . 4.18 109.358 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.32 152.44 4.33 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 5.67 109.342 -179.668 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.91 147.8 60.7 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 C-N-CA 121.132 1.221 . . . . 5.65 110.058 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 117.973 -1.459 . . . . 7.27 109.747 179.816 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 320' ' ' LYS . 91.9 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.449 -0.574 . . . . 7.33 109.449 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 319' ' ' LYS . 39.0 tttp 60.88 136.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.577 -0.702 . . . . 7.21 109.933 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 57.57 67.72 2.28 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 6.47 109.777 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.82 109.19 2.07 Favored 'Trans proline' 0 C--N 1.318 -1.032 0 C-N-CA 121.907 1.738 . . . . 4.53 110.695 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.5 mm? -83.53 19.6 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.208 -0.932 . . . . 4.35 108.734 178.814 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.51 -176.47 4.26 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 2.48 110.337 -179.114 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.509 ' H ' ' CZ ' ' C' ' 333' ' ' ARG . . . -69.48 -177.17 16.71 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.794 -0.922 . . . . 0.98 110.794 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.52 148.9 36.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.602 -0.94 . . . . 1.7 110.41 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.22 161.66 13.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.568 -0.708 . . . . 0.61 109.464 179.166 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.38 -170.39 2.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.345 -0.847 . . . . 0.58 109.384 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.9 p -153.96 125.03 7.32 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.42 109.089 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.7 tp -116.8 139.61 50.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.507 -0.746 . . . . 0.36 109.947 -178.657 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 17.8 tt0 -87.66 129.68 35.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.656 -0.653 . . . . 1.37 109.278 179.147 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -124.1 118.08 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.546 -0.721 . . . . 0.47 109.082 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.609 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.53 152.67 39.31 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 2.1 109.577 -179.891 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 86.06 137.61 4.6 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.537 -1.025 . . . . 0.42 110.537 178.618 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.72 -51.76 11.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.511 -0.993 . . . . 2.68 109.278 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.0 -38.6 76.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 2.22 109.175 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.81 -44.94 90.94 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.357 -0.839 . . . . 2.77 109.723 179.884 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.41 -57.42 11.92 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.526 -0.734 . . . . 0.43 109.729 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -51.45 -39.95 58.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 1.66 110.145 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -63.21 -51.1 67.66 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.071 -1.018 . . . . 0.44 110.249 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.01 -44.6 96.37 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.103 -0.998 . . . . 0.29 109.063 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -50.86 -42.74 59.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 2.44 109.175 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -59.67 -45.79 90.99 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.224 -0.922 . . . . 1.74 109.569 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.58 -48.42 81.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.3 109.209 179.781 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 45.8 t-20 -58.2 -48.64 79.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.387 -0.82 . . . . 1.22 109.654 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -61.56 -38.19 86.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 1.72 109.463 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.78 -52.49 65.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 0.27 109.723 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.86 -41.55 97.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.29 109.356 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.28 -38.02 76.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 1.91 109.196 179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.69 -49.19 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.837 . . . . 0.41 109.242 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.03 -40.16 94.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.853 . . . . 1.56 108.982 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.32 -34.53 66.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.5 -0.75 . . . . 1.43 109.526 179.689 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.64 75.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 0.66 109.602 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -80.57 1.1 31.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 1.18 109.524 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.58 -86.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 1.23 109.332 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.33 89.03 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.465 -1.454 . . . . 1.54 109.465 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -86.76 -75.01 0.41 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.215 -1.167 . . . . 4.18 109.282 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.97 155.42 1.57 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 5.71 109.429 -179.612 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.84 157.17 20.65 Favored 'Trans proline' 0 C--N 1.322 -0.83 0 C-N-CA 121.292 1.328 . . . . 5.61 110.208 179.245 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 118.016 -1.435 . . . . 7.24 109.667 179.721 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 320' ' ' LYS . 92.6 mttt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.41 -0.589 . . . . 7.34 109.41 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 319' ' ' LYS . 39.2 tttp 60.96 136.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.504 -0.748 . . . . 7.17 109.887 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 38.1 tttp 57.43 67.69 2.33 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 6.44 109.791 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.82 109.15 2.05 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.905 1.736 . . . . 4.54 110.714 -179.687 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 323' ' ' LEU . 4.5 mm? -83.53 19.76 1.52 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.195 -0.941 . . . . 4.32 108.763 178.791 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -77.53 -176.07 4.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 2.47 110.302 -179.066 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.506 ' H ' ' CZ ' ' D' ' 333' ' ' ARG . . . -69.91 -177.17 18.96 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.752 -0.939 . . . . 0.95 110.752 -178.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 148.69 37.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.675 -0.897 . . . . 1.61 110.292 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -100.13 161.82 13.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.53 -0.731 . . . . 0.57 109.343 179.253 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.5 -170.4 2.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.397 -0.815 . . . . 0.53 109.371 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.8 p -153.95 125.19 7.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.398 -0.814 . . . . 0.38 109.037 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.82 139.54 50.48 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.556 0.693 . . . . 0.36 109.847 -178.613 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.506 ' O ' ' ND2' ' D' ' 345' ' ' ASN . 17.7 tt0 -87.68 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.571 -0.705 . . . . 1.36 109.27 179.059 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -124.16 118.24 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.503 -0.748 . . . . 0.49 109.104 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.65 152.74 39.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.211 -0.93 . . . . 2.1 109.572 -179.89 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.495 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 85.75 137.54 4.4 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.509 -1.037 . . . . 0.44 110.509 178.626 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -75.39 -51.98 11.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.621 -0.929 . . . . 2.72 109.308 179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.03 -38.34 76.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 2.21 109.188 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.69 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.92 -45.05 91.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.217 -0.927 . . . . 2.79 109.712 179.8 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.28 -57.47 11.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.518 -0.739 . . . . 0.45 109.72 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.41 -40.01 58.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.316 -0.865 . . . . 1.68 110.152 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.23 -51.06 67.79 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.116 -0.99 . . . . 0.43 110.206 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.01 -44.65 96.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.188 -0.945 . . . . 0.28 109.051 -179.691 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -50.68 -42.79 57.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.251 -0.905 . . . . 2.52 109.194 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -59.76 -45.79 91.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.341 -0.849 . . . . 1.75 109.499 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.59 -48.41 81.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.31 109.27 179.761 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 45.6 t-20 -58.11 -48.72 79.34 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 1.21 109.625 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.6 -38.1 86.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.69 109.504 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.77 -52.52 65.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.329 -0.857 . . . . 0.27 109.756 -179.703 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.84 -41.53 97.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.964 . . . . 0.3 109.423 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -58.29 -38.04 76.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.93 109.198 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.77 -49.03 74.56 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.239 -0.913 . . . . 0.4 109.279 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.05 -40.16 94.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 1.59 108.965 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -56.41 -34.47 66.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.53 -0.731 . . . . 1.43 109.5 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.62 76.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 0.65 109.653 -179.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -80.66 1.03 31.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 1.19 109.578 -179.851 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.6 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.125 -0.985 . . . . 1.22 109.299 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.18 89.01 0.69 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.529 -1.428 . . . . 1.53 109.529 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -86.79 -75.13 0.4 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.186 -1.184 . . . . 4.21 109.241 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.14 155.43 1.65 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.383 -0.823 . . . . 5.68 109.461 -179.554 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.97 156.86 22.22 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 C-N-CA 121.276 1.317 . . . . 5.57 110.264 179.277 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.974 -1.459 . . . . 7.2 109.621 179.757 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 320' ' ' LYS . 92.3 mttt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.426 -0.583 . . . . 8.96 109.426 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 319' ' ' LYS . 38.9 tttp 60.91 136.23 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.511 -0.743 . . . . 8.15 109.873 179.805 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 37.9 tttp 57.51 67.55 2.37 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.293 -0.879 . . . . 7.15 109.793 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.69 109.13 2.02 Favored 'Trans proline' 0 C--N 1.317 -1.088 0 C-N-CA 121.93 1.753 . . . . 4.35 110.764 -179.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' C' ' 323' ' ' LEU . 4.5 mm? -83.5 19.84 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.108 -0.995 . . . . 4.63 108.696 178.88 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -77.6 -176.39 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 2.85 110.289 -179.114 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.485 ' H ' ' CZ ' ' A' ' 333' ' ' ARG . . . -69.67 -176.98 17.15 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.838 -0.905 . . . . 1.12 110.838 -179.059 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.61 148.91 36.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.607 -0.937 . . . . 2.11 110.34 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.22 161.64 13.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.486 -0.759 . . . . 0.64 109.424 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.27 -170.37 2.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.322 -0.862 . . . . 0.49 109.405 -179.83 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.0 p -154.01 124.95 7.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.308 -0.87 . . . . 0.47 109.096 -179.673 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.72 139.66 50.3 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.665 -0.647 . . . . 0.42 109.963 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.483 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 17.8 tt0 -87.69 129.67 35.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.634 -0.666 . . . . 1.81 109.273 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -124.05 118.2 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.469 -0.769 . . . . 0.42 109.103 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.58 152.7 39.25 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.231 -0.918 . . . . 2.35 109.565 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.502 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 86.05 137.8 4.66 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.494 -1.042 . . . . 0.41 110.494 178.6 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.78 -51.92 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.479 -1.012 . . . . 2.59 109.278 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.63 76.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.908 . . . . 2.54 109.172 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.77 -45.1 90.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.251 -0.906 . . . . 3.39 109.624 179.901 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -57.49 11.6 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.518 -0.739 . . . . 0.47 109.725 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.4 -40.05 58.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 1.66 110.093 -179.571 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.062 -1.024 . . . . 0.61 110.211 -179.058 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.237 -0.914 . . . . 0.33 109.067 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.7 -42.82 57.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 3.28 109.236 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.192 -0.942 . . . . 1.78 109.553 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.64 -48.4 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.38 109.209 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 45.5 t-20 -58.14 -48.67 79.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 1.2 109.636 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.56 -38.07 86.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 2.12 109.461 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.73 -52.62 64.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.26 109.82 -179.769 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.76 -41.54 97.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 0.4 109.375 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -58.26 -38.11 76.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 2.09 109.254 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.74 -49.09 74.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.75 109.204 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.06 -40.15 94.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.373 -0.83 . . . . 2.19 108.981 179.865 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.44 -34.59 66.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.538 -0.727 . . . . 1.34 109.529 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.53 76.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.72 109.69 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -80.71 1.04 31.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.289 -0.882 . . . . 1.8 109.493 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -86.75 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.19 -0.944 . . . . 1.39 109.377 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.17 89.16 0.69 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.482 -1.447 . . . . 1.66 109.482 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -86.92 -74.99 0.41 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.162 -1.199 . . . . 4.45 109.195 179.713 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.95 155.47 1.55 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.821 . . . . 6.19 109.41 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.76 156.9 21.27 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.332 1.355 . . . . 5.58 110.203 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 117.956 -1.469 . . . . 6.9 109.731 179.678 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 320' ' ' LYS . 92.2 mttt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.405 -0.591 . . . . 7.36 109.405 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 319' ' ' LYS . 39.1 tttp 60.82 136.24 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.461 -0.774 . . . . 7.15 109.924 179.814 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 37.9 tttp 57.41 67.65 2.35 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 6.5 109.724 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.72 109.19 2.04 Favored 'Trans proline' 0 C--N 1.319 -0.997 0 C-N-CA 121.865 1.71 . . . . 4.5 110.804 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.43 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.5 mm? -83.54 19.83 1.51 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.156 -0.965 . . . . 4.32 108.757 178.856 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.63 -176.36 4.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.433 -0.792 . . . . 2.46 110.261 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.445 ' H ' ' CZ ' ' B' ' 333' ' ' ARG . . . -69.58 -176.79 16.34 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.758 -0.937 . . . . 0.97 110.758 -178.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.87 148.92 37.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.632 -0.922 . . . . 1.67 110.313 -179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.34 161.42 13.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.61 109.325 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.15 -170.48 2.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.271 -0.893 . . . . 0.56 109.332 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -153.75 125.29 7.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 0.43 109.008 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.9 139.54 50.51 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.605 -0.685 . . . . 0.35 109.901 -178.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.486 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 17.7 tt0 -87.69 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.215 -0.661 . . . . 1.37 109.215 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -124.12 118.18 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.471 -0.768 . . . . 0.48 109.119 179.638 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.61 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.66 152.69 39.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 2.08 109.513 -179.826 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 85.98 137.8 4.62 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.466 -1.054 . . . . 0.4 110.466 178.585 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -75.63 -52.02 11.49 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.466 -1.02 . . . . 2.64 109.275 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.49 76.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 2.22 109.166 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.691 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.93 -44.97 91.44 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 2.74 109.725 179.891 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.32 -57.37 12.12 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.595 -0.69 . . . . 0.43 109.793 -179.764 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.44 -40.06 58.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 1.69 110.078 -179.647 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -63.33 -50.93 68.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.059 -1.026 . . . . 0.43 110.216 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.01 -44.6 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.148 -0.97 . . . . 0.27 109.136 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.81 -42.79 58.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.45 109.201 179.46 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -59.66 -45.75 91.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 1.75 109.548 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.62 -48.42 80.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.31 109.193 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 45.6 t-20 -58.23 -48.63 79.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 1.22 109.661 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.54 -38.1 86.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.892 . . . . 1.73 109.453 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.74 -52.65 64.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.28 109.797 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.79 -41.59 97.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.31 109.279 -179.911 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.31 -37.99 76.19 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.17 -0.956 . . . . 1.91 109.185 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.79 -49.16 74.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 0.43 109.226 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.332 -0.855 . . . . 1.57 108.944 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.46 -34.53 66.98 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.519 -0.738 . . . . 1.44 109.567 179.677 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.51 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.163 -0.961 . . . . 0.64 109.698 -179.751 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -80.6 1.0 31.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 1.21 109.497 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -86.73 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 1.22 109.342 179.896 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.27 89.16 0.7 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.48 -1.448 . . . . 1.5 109.48 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -86.84 -74.96 0.41 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.219 -1.165 . . . . 4.18 109.278 179.702 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.04 155.51 1.58 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.434 -0.791 . . . . 5.67 109.514 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.96 157.0 21.61 Favored 'Trans proline' 0 C--N 1.322 -0.847 0 C-N-CA 121.196 1.264 . . . . 5.65 110.17 179.271 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 117.965 -1.464 . . . . 7.27 109.647 179.716 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.41 -0.589 . . . . 7.33 109.41 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.31 62.65 2.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.955 . . . . 7.21 109.185 -179.767 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.75 62.87 7.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.403 -0.811 . . . . 6.47 109.927 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -65.97 131.0 25.85 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.424 1.416 . . . . 4.53 109.658 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.56 90.44 5.71 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.023 . . . . 4.35 108.999 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.36 -158.17 0.36 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.496 -0.753 . . . . 2.48 109.897 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 170.36 42.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.721 -1.352 . . . . 0.98 109.721 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.64 139.9 57.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -1.11 . . . . 1.7 109.732 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -93.75 156.74 16.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.61 109.301 179.699 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.22 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.226 -0.921 . . . . 0.58 109.338 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.3 p -150.35 151.07 32.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.307 -0.871 . . . . 0.42 108.683 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.4 132.83 23.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 0.36 109.601 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.53 127.6 34.13 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.586 -0.894 . . . . 1.37 108.586 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.42 116.34 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.49 -0.756 . . . . 0.47 109.222 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.68 154.57 36.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.475 -0.766 . . . . 2.1 110.109 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 136.68 2.47 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.566 -1.014 . . . . 0.42 110.566 179.02 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.404 ' HG3' ' NH1' ' A' ' 335' ' ' ARG . 41.4 ttm-85 -81.64 -45.76 15.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.441 -1.034 . . . . 2.68 109.078 179.412 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -57.64 -47.72 81.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 2.22 109.064 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -62.55 -42.84 99.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.311 -0.868 . . . . 2.77 109.038 179.813 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -55.34 -58.47 7.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.707 -0.621 . . . . 0.43 109.768 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.29 -37.28 46.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.346 -0.846 . . . . 1.66 109.93 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.86 -50.59 68.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.44 110.338 -179.175 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.028 -1.045 . . . . 0.29 109.387 -179.675 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.412 ' HG3' ' NH1' ' A' ' 342' ' ' ARG . 12.9 ttm-85 -51.3 -42.67 61.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.071 -1.018 . . . . 2.44 109.176 179.57 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.3 -45.21 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.74 109.945 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.19 -43.42 98.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.107 -0.996 . . . . 0.3 109.29 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.34 -51.29 70.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.203 -0.936 . . . . 1.22 109.348 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.67 -34.44 77.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 1.72 109.521 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.92 -53.36 59.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.352 -0.843 . . . . 0.27 109.857 -179.651 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.24 -43.71 98.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.29 109.286 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -58.34 -39.86 80.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.906 . . . . 1.91 109.16 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.3 -37.81 88.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.247 -0.908 . . . . 0.41 109.035 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.89 -43.8 98.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.597 -0.89 . . . . 1.56 108.597 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.29 -36.09 68.24 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.252 -0.648 . . . . 1.43 109.252 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.87 66.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.316 -0.865 . . . . 0.66 109.037 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -82.37 -11.68 58.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 1.18 109.262 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.94 -83.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 1.23 109.483 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 73.83 0.52 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.546 -1.422 . . . . 1.54 109.546 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.16 133.09 33.88 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.305 -1.115 . . . . 4.18 109.482 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -50.98 152.68 3.55 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.901 . . . . 5.71 108.972 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.85 142.34 84.13 Favored 'Trans proline' 0 C--N 1.323 -0.807 0 C-N-CA 120.983 1.122 . . . . 5.61 109.871 179.46 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.562 -1.415 . . . . 7.24 109.562 -179.971 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.431 -0.581 . . . . 7.34 109.431 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.25 62.74 2.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.22 -0.925 . . . . 7.17 109.161 -179.791 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.72 62.85 7.72 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.326 -0.859 . . . . 6.44 109.94 -179.613 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -65.97 131.0 25.82 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.394 1.396 . . . . 4.54 109.703 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.5 90.35 5.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.007 . . . . 4.32 108.996 179.55 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.28 -158.09 0.35 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 2.47 109.904 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.74 170.3 43.49 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.685 -1.366 . . . . 0.95 109.685 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.56 139.94 57.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.283 -1.128 . . . . 1.61 109.751 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -93.75 156.8 16.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.917 . . . . 0.57 109.276 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.28 -174.18 3.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.53 109.281 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -150.32 151.02 32.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.38 108.693 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.32 132.81 23.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.36 109.61 -178.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.58 34.14 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.592 -0.892 . . . . 1.36 108.592 179.236 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.6 mt -123.39 116.37 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.549 -0.719 . . . . 0.49 109.237 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.67 154.56 36.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 2.1 110.092 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.28 136.7 2.43 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.567 -1.013 . . . . 0.44 110.567 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 41.5 ttm-85 -81.68 -45.71 15.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -1.037 . . . . 2.72 109.051 179.421 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.69 -47.68 81.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.884 . . . . 2.21 109.104 179.815 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.5 -43.0 99.88 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 2.79 108.988 179.734 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.3 -58.43 7.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.674 -0.641 . . . . 0.45 109.785 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.35 -37.28 47.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.848 . . . . 1.68 109.908 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.73 -50.62 68.42 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.197 -0.94 . . . . 0.43 110.456 -179.312 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.66 -43.47 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.076 -1.015 . . . . 0.28 109.41 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' B' ' 342' ' ' ARG . 12.8 ttm-85 -51.26 -42.79 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.082 . . . . 2.52 109.124 179.545 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.23 -45.15 95.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.32 -0.863 . . . . 1.75 109.999 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.2 -43.53 98.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.2 -0.938 . . . . 0.31 109.261 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.2 -51.39 69.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.213 -0.929 . . . . 1.21 109.35 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.67 -34.43 77.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.875 . . . . 1.69 109.549 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.82 -53.45 58.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.369 -0.832 . . . . 0.27 109.9 -179.739 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.25 -43.68 98.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.3 109.194 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.45 -39.82 80.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 1.93 109.164 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.31 -37.72 88.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.314 -0.866 . . . . 0.4 109.071 179.689 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.94 -43.84 98.0 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.588 -0.893 . . . . 1.59 108.588 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.24 -36.1 68.13 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.228 -0.656 . . . . 1.43 109.228 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -25.89 66.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.65 109.021 179.743 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -82.49 -11.56 58.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -0.847 . . . . 1.19 109.272 179.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.1 -83.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.832 . . . . 1.22 109.487 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.12 73.89 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.488 -1.445 . . . . 1.53 109.488 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -86.2 133.11 33.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -1.156 . . . . 4.21 109.509 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -51.0 152.7 3.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 5.68 108.925 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.88 142.33 84.38 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.04 1.16 . . . . 5.57 109.826 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.033 -1.426 . . . . 7.2 109.54 179.918 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.5 -0.556 . . . . 8.96 109.5 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.34 62.72 2.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.143 -0.973 . . . . 8.15 109.189 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.69 62.88 7.7 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 7.15 109.936 -179.579 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.02 130.94 25.6 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.434 1.423 . . . . 4.35 109.676 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.47 90.43 5.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.087 -1.008 . . . . 4.63 109.032 179.551 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.36 -158.2 0.36 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.524 -0.735 . . . . 2.85 109.859 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.52 170.38 42.66 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.738 -1.345 . . . . 1.12 109.738 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.7 139.87 57.71 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -1.144 . . . . 2.11 109.744 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.75 156.79 16.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.306 -0.871 . . . . 0.64 109.289 179.746 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.26 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.49 109.304 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -150.39 151.02 32.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.27 -0.894 . . . . 0.47 108.681 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.5 tp -143.37 132.83 23.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.3 -0.875 . . . . 0.42 109.584 -178.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.6 34.15 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.617 -0.883 . . . . 1.81 108.617 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.4 116.34 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.534 -0.729 . . . . 0.42 109.193 -179.543 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.66 154.59 36.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.747 . . . . 2.35 110.06 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 136.7 2.46 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.507 -1.037 . . . . 0.41 110.507 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -81.68 -45.72 15.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -1.063 . . . . 2.59 109.055 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.68 -47.69 81.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.85 . . . . 2.54 109.088 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.44 -42.98 99.86 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.371 -0.83 . . . . 3.39 109.123 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.24 -58.45 7.63 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.556 -0.715 . . . . 0.47 109.822 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.42 -37.11 46.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.822 . . . . 1.66 109.964 -179.574 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.89 -50.55 68.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.19 -0.944 . . . . 0.61 110.407 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.45 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.965 -1.084 . . . . 0.33 109.422 -179.718 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' C' ' 342' ' ' ARG . 12.8 ttm-85 -51.23 -42.84 61.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.031 -1.043 . . . . 3.28 109.091 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.27 -45.23 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.78 109.923 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.16 -43.47 98.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.38 109.302 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.38 70.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.2 109.326 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.34 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 2.12 109.561 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.92 -53.45 58.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.26 109.854 -179.667 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.1 -43.77 98.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.096 -1.003 . . . . 0.4 109.255 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.37 -39.89 80.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 2.09 109.108 179.795 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.36 -37.77 88.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.75 108.98 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.92 -43.78 98.13 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.605 -0.887 . . . . 2.19 108.605 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -56.16 -36.22 68.07 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.296 -0.631 . . . . 1.34 109.296 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.85 66.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.317 -0.864 . . . . 0.72 109.053 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -82.44 -11.58 58.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 1.8 109.303 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 -83.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.204 -0.935 . . . . 1.39 109.489 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.07 73.92 0.52 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.531 -1.427 . . . . 1.66 109.531 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.19 133.12 33.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.237 -1.154 . . . . 4.45 109.461 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -51.09 152.7 3.7 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.914 . . . . 6.19 108.888 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.83 142.35 83.93 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.028 1.152 . . . . 5.58 109.856 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.999 -1.445 . . . . 6.9 109.523 -179.976 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.507 -0.553 . . . . 7.36 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.27 62.72 2.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 7.15 109.19 -179.74 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.8 62.81 7.68 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 6.5 109.881 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -65.93 130.97 25.82 Favored 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.449 1.433 . . . . 4.5 109.671 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.47 90.39 5.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.072 -1.018 . . . . 4.32 109.0 179.529 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.36 -158.15 0.36 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 2.46 109.837 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 170.4 42.87 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.694 -1.363 . . . . 0.97 109.694 179.898 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.72 139.86 57.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -1.141 . . . . 1.67 109.679 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.68 156.78 16.51 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.203 -0.936 . . . . 0.61 109.306 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.25 -174.26 3.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.262 -0.899 . . . . 0.56 109.266 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.8 p -150.34 151.03 32.25 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.627 -0.879 . . . . 0.43 108.627 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.1 tp -143.32 132.88 23.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.35 109.548 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.7 127.62 34.19 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.556 -0.905 . . . . 1.37 108.556 179.249 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.4 116.32 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.444 -0.785 . . . . 0.48 109.145 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -75.68 154.67 36.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.482 -0.762 . . . . 2.08 110.093 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.26 136.63 2.41 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.623 -0.991 . . . . 0.4 110.623 179.03 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -81.67 -45.67 15.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -1.062 . . . . 2.64 109.067 179.445 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -57.67 -47.67 81.67 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.34 -0.85 . . . . 2.22 109.13 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.391 -0.818 . . . . 2.74 109.04 179.714 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.33 -58.42 7.8 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.58 -0.7 . . . . 0.43 109.773 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.41 -37.17 47.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 1.69 110.014 -179.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.74 -50.63 68.35 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.25 -0.906 . . . . 0.43 110.455 -179.326 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.027 -1.046 . . . . 0.27 109.393 -179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' D' ' 342' ' ' ARG . 12.8 ttm-85 -51.31 -42.75 61.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 2.45 109.089 179.519 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.34 -45.14 95.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 1.75 109.953 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.22 -43.47 98.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 0.31 109.274 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.26 70.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.935 . . . . 1.22 109.421 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.49 77.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 1.73 109.556 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.87 -53.46 58.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.292 -0.88 . . . . 0.28 109.827 -179.661 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.16 -43.78 98.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.31 109.201 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.32 -39.83 80.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 1.91 109.203 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.39 -37.78 88.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.43 108.977 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.93 -43.76 98.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.241 -0.912 . . . . 1.57 108.609 179.276 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.3 -36.11 68.29 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.247 -0.649 . . . . 1.44 109.247 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -25.71 66.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.64 109.172 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -82.55 -11.56 58.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.814 . . . . 1.21 109.198 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.03 -83.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.241 -0.912 . . . . 1.22 109.447 179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 73.9 0.52 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.56 -1.416 . . . . 1.5 109.56 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.13 133.01 33.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.242 -1.152 . . . . 4.18 109.514 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -50.99 152.65 3.58 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 5.67 108.98 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.75 142.38 83.21 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 120.979 1.12 . . . . 5.65 109.836 179.44 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.011 -1.438 . . . . 7.27 109.559 179.897 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.198 -0.667 . . . . 7.33 109.198 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 321' ' ' LYS . 55.6 mttp 52.24 92.31 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 7.21 110.084 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 320' ' ' LYS . 34.8 mtpt 59.93 137.42 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.719 -0.613 . . . . 6.47 110.25 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.43 -153.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 120.877 1.051 . . . . 4.53 109.533 179.065 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.98 131.81 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.175 -0.953 . . . . 4.35 109.209 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.04 -141.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 2.48 109.869 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.54 173.7 33.02 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.979 -1.248 . . . . 0.98 109.979 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.96 135.28 57.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.399 -1.059 . . . . 1.7 109.679 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.8 155.23 16.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.3 -0.875 . . . . 0.61 109.733 179.814 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.83 139.79 34.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.327 -0.858 . . . . 0.58 109.068 179.397 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.9 p -96.4 163.89 12.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 0.42 108.894 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.7 134.87 18.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 0.36 110.045 -179.273 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.04 127.58 34.27 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.79 -0.819 . . . . 1.37 108.79 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.3 mt -123.42 111.17 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.524 -0.735 . . . . 0.47 109.198 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.54 40.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 2.1 110.027 -179.757 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.19 135.98 4.13 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.468 -1.053 . . . . 0.42 110.468 179.098 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -38.4 31.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -1.037 . . . . 2.68 108.902 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 336' ' ' GLU . 9.9 mp0 -59.28 -46.88 87.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 2.22 109.183 179.706 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.95 -39.86 93.55 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.529 -0.732 . . . . 2.77 109.506 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.04 -53.38 56.58 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.431 -0.793 . . . . 0.43 109.598 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.13 -42.74 66.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 1.66 109.798 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.9 -50.47 70.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.313 -0.867 . . . . 0.44 110.23 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.26 -45.93 92.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 0.29 108.986 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.83 -42.83 62.85 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.217 -0.927 . . . . 2.44 109.38 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.97 -45.32 95.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 1.74 109.985 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 0.3 109.252 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.34 -50.98 71.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 1.22 109.485 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.63 99.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 1.72 109.823 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -51.48 69.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.27 109.757 -179.602 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.26 -45.46 93.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.29 109.392 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.79 -34.46 73.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 1.91 109.226 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.86 -48.73 75.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.41 109.433 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.65 -43.67 98.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.4 -0.812 . . . . 1.56 109.017 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -32.49 64.26 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.696 -0.627 . . . . 1.43 109.404 179.741 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.19 78.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.66 109.672 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' A' ' 356' ' ' GLY . 39.1 mt-30 -80.93 -1.37 43.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 1.18 109.565 -179.775 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.1 8.64 0.52 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.272 -0.892 . . . . 1.23 109.185 179.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 356' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 354' ' ' GLN . . . -85.16 -70.19 1.34 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.492 -1.443 . . . . 1.54 109.492 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.78 133.58 35.35 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.307 -1.114 . . . . 4.18 109.658 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 358' ' ' GLU . 2.6 pt-20 -49.88 153.91 2.04 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.342 -0.849 . . . . 5.71 109.222 -179.603 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.25 -175.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 121.213 1.275 . . . . 5.61 109.919 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.942 -1.477 . . . . 7.24 109.525 179.954 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.178 -0.675 . . . . 7.34 109.178 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 321' ' ' LYS . 55.6 mttp 52.14 92.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 7.17 110.176 179.598 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 320' ' ' LYS . 34.8 mtpt 60.08 137.39 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.765 -0.584 . . . . 6.44 110.226 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.42 -153.77 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 120.974 1.116 . . . . 4.54 109.536 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.98 131.79 36.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 4.32 109.204 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.08 -141.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -0.886 . . . . 2.47 109.865 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 173.62 32.04 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.957 -1.257 . . . . 0.95 109.957 -179.649 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.93 135.25 57.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.356 -1.084 . . . . 1.61 109.685 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.76 155.31 16.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.26 -0.9 . . . . 0.57 109.744 179.789 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -140.89 139.78 34.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.319 -0.863 . . . . 0.53 109.029 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.37 163.93 12.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.38 108.86 179.737 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.72 134.98 18.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.36 110.047 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -85.09 127.63 34.31 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.839 -0.8 . . . . 1.36 108.839 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.44 111.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.584 0.707 . . . . 0.49 109.215 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.58 40.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 2.1 110.05 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.08 136.02 4.08 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.462 -1.055 . . . . 0.44 110.462 179.1 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.26 -38.4 31.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -1.084 . . . . 2.72 108.863 179.368 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 9.9 mp0 -59.32 -46.84 87.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 2.21 109.155 179.736 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.87 -39.98 93.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.485 -0.759 . . . . 2.79 109.501 179.914 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.97 -53.36 56.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.45 109.675 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.57 66.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.887 . . . . 1.68 109.757 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.89 -50.56 70.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.333 -0.854 . . . . 0.43 110.279 -179.317 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -45.98 92.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.28 109.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.77 -42.8 62.67 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 2.52 109.486 179.642 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.03 -45.32 95.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.31 -0.869 . . . . 1.75 109.925 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.48 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 0.31 109.26 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.29 -50.99 71.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 1.21 109.509 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.0 -42.6 99.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 1.69 109.908 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.84 -51.42 69.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.258 -0.901 . . . . 0.27 109.834 -179.693 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.32 -45.55 92.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.3 109.381 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.67 -34.34 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.238 -0.914 . . . . 1.93 109.282 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.99 -48.7 75.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.472 -0.767 . . . . 0.4 109.437 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.6 -43.62 98.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.846 . . . . 1.59 109.008 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.677 -0.64 . . . . 1.43 109.413 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.08 78.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.65 109.706 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' B' ' 356' ' ' GLY . 39.0 mt-30 -81.03 -1.31 43.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 1.19 109.54 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.04 8.61 0.52 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 1.22 109.169 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' B' ' 354' ' ' GLN . . . -85.17 -70.17 1.34 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.502 -1.439 . . . . 1.53 109.502 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -81.79 133.55 35.35 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.265 -1.138 . . . . 4.21 109.652 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.72 153.87 1.94 Allowed Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 5.68 109.166 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -54.29 -175.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.324 -0.74 0 C-N-CA 121.169 1.246 . . . . 5.57 109.916 179.328 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 117.979 -1.456 . . . . 7.2 109.515 179.979 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.206 -0.665 . . . . 8.96 109.206 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' C' ' 321' ' ' LYS . 55.6 mttp 52.19 92.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.347 -0.846 . . . . 8.15 110.117 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' C' ' 320' ' ' LYS . 34.8 mtpt 59.97 137.37 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.84 -0.538 . . . . 7.15 110.204 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.34 -153.8 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 120.965 1.11 . . . . 4.35 109.542 179.039 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.96 131.82 36.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 4.63 109.17 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -80.06 -141.13 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.273 -0.892 . . . . 2.85 109.826 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 173.65 32.61 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.913 -1.275 . . . . 1.12 109.913 -179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.01 135.34 57.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.418 -1.048 . . . . 2.11 109.699 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -95.87 155.3 16.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.239 -0.913 . . . . 0.64 109.679 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.88 139.8 34.46 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.424 -0.798 . . . . 0.49 109.027 179.403 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.35 163.8 12.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.47 108.861 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.67 134.92 18.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.019 -1.051 . . . . 0.42 110.039 -179.355 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.03 127.65 34.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.815 -0.809 . . . . 1.81 108.815 179.303 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.2 mt -123.42 111.11 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 109.206 -0.665 . . . . 0.42 109.206 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.94 147.58 40.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -0.804 . . . . 2.35 110.059 -179.788 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.14 135.96 4.1 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.518 -1.033 . . . . 0.41 110.518 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -80.22 -38.36 31.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.405 -1.056 . . . . 2.59 108.888 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 mp0 -59.29 -46.88 87.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 2.54 109.105 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -61.96 -39.84 93.52 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.427 -0.796 . . . . 3.39 109.502 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -55.11 -53.33 57.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.487 -0.758 . . . . 0.47 109.578 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.6 66.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.342 -0.849 . . . . 1.66 109.754 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.95 -50.51 70.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.267 -0.896 . . . . 0.61 110.25 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.27 -45.94 92.42 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.071 -1.018 . . . . 0.33 108.95 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.8 -42.86 62.8 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.283 -0.885 . . . . 3.28 109.484 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -60.95 -45.34 95.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.352 -0.842 . . . . 1.78 109.919 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.172 -0.955 . . . . 0.38 109.262 -179.881 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.21 -51.07 71.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.243 -0.911 . . . . 1.2 109.525 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.97 -42.57 99.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 2.12 109.884 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.98 -51.4 69.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.26 109.752 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.28 -45.65 92.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.147 -0.97 . . . . 0.4 109.326 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.62 -34.39 72.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -0.893 . . . . 2.09 109.281 179.822 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 51.0 tp -63.92 -48.73 75.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.75 109.456 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.56 -43.72 98.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 2.19 108.95 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.07 -32.51 64.19 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.589 -0.694 . . . . 1.34 109.389 179.772 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -44.0 78.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 0.72 109.702 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.475 ' C ' ' H ' ' C' ' 356' ' ' GLY . 39.1 mt-30 -81.04 -1.34 43.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.82 . . . . 1.8 109.55 -179.816 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.07 8.66 0.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.925 . . . . 1.39 109.218 179.658 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 356' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' C' ' 354' ' ' GLN . . . -85.22 -70.21 1.34 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.459 -1.456 . . . . 1.66 109.459 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -81.81 133.54 35.34 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.21 -1.171 . . . . 4.45 109.616 -179.621 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.74 153.83 1.97 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 6.19 109.207 -179.665 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.23 -175.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 121.175 1.25 . . . . 5.58 109.918 179.334 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 CA-C-O 117.963 -1.465 . . . . 6.9 109.541 -179.965 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.143 -0.688 . . . . 7.36 109.143 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' D' ' 321' ' ' LYS . 55.6 mttp 52.12 92.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.44 -0.787 . . . . 7.15 110.202 179.556 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' D' ' 320' ' ' LYS . 34.8 mtpt 59.98 137.38 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.742 -0.599 . . . . 6.5 110.225 179.418 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.36 -153.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 120.976 1.117 . . . . 4.5 109.538 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.9 131.86 36.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.101 -0.999 . . . . 4.32 109.184 179.66 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.16 -141.16 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 2.46 109.828 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 173.59 32.67 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.945 -1.262 . . . . 0.97 109.945 -179.624 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.95 135.28 57.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.42 -1.047 . . . . 1.67 109.687 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.81 155.26 16.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.267 -0.895 . . . . 0.61 109.676 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.89 139.86 34.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.276 -0.89 . . . . 0.56 109.045 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 163.83 12.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.321 -0.862 . . . . 0.43 108.856 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.65 134.97 18.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 0.35 110.023 -179.389 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.06 127.61 34.29 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.851 -0.796 . . . . 1.37 108.851 179.219 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.0 mt -123.4 111.14 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.554 -0.716 . . . . 0.48 109.219 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.53 40.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.512 -0.743 . . . . 2.08 110.192 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.21 135.96 4.14 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.505 -1.038 . . . . 0.4 110.505 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.19 -38.44 31.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.64 108.885 179.331 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 9.9 mp0 -59.27 -46.84 87.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 2.22 109.186 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.89 -39.93 93.66 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.475 -0.766 . . . . 2.74 109.579 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.0 -53.42 55.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.433 -0.792 . . . . 0.43 109.643 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.21 -42.6 66.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.427 -0.795 . . . . 1.69 109.75 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.98 -50.5 70.53 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.43 110.236 -179.245 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -46.0 92.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.069 -1.019 . . . . 0.27 108.967 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.87 -42.77 62.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.286 -0.884 . . . . 2.45 109.406 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -61.03 -45.24 95.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 1.75 109.935 -179.578 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.5 -43.42 98.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.31 109.258 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.26 -51.01 71.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.22 109.533 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.53 99.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 1.73 109.908 -179.701 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.98 -51.37 69.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.28 109.807 -179.646 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.28 -45.6 92.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.31 109.35 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.65 -34.43 72.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.91 109.266 179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.91 -48.72 75.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.832 . . . . 0.43 109.374 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -62.57 -43.68 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 1.57 109.131 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.15 -32.44 64.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.652 -0.655 . . . . 1.44 109.442 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -44.06 78.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.64 109.756 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' D' ' 356' ' ' GLY . 39.1 mt-30 -80.99 -1.28 43.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.886 . . . . 1.21 109.604 -179.848 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.11 8.66 0.52 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.211 -0.93 . . . . 1.22 109.136 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 356' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' D' ' 354' ' ' GLN . . . -85.14 -70.18 1.34 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.547 -1.421 . . . . 1.5 109.547 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.83 133.49 35.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.189 -1.183 . . . . 4.18 109.658 -179.69 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.81 153.86 2.0 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 5.67 109.259 -179.624 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.34 -175.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 121.2 1.267 . . . . 5.65 109.868 179.491 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.943 -1.476 . . . . 7.27 109.57 -179.921 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.33 109.434 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.01 -121.7 1.92 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.249 -0.907 . . . . 7.21 109.26 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 323' ' ' LEU . 33.5 ttpt 52.57 72.09 1.27 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 6.47 109.329 179.825 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -62.86 5.7 0.26 Allowed 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.519 1.479 . . . . 4.53 110.167 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.8 mt -81.4 41.43 0.62 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.223 -0.923 . . . . 4.35 109.218 179.704 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.41 -129.79 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.73 -0.606 . . . . 2.48 109.983 -179.415 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.11 156.9 52.77 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.037 -1.225 . . . . 0.98 110.037 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.08 136.33 57.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -1.044 . . . . 1.7 109.573 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -94.44 153.14 18.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 0.61 109.602 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -135.91 -169.52 2.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.362 -0.836 . . . . 0.58 109.397 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.21 146.88 25.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.42 108.73 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -141.18 135.29 30.64 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.36 109.69 -178.742 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.68 130.31 34.6 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.839 -0.801 . . . . 1.37 108.839 179.214 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.54 118.8 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.555 -0.716 . . . . 0.47 109.465 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.17 152.84 36.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 2.1 110.076 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.09 136.29 1.2 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.476 -1.05 . . . . 0.42 110.476 179.028 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.83 -41.5 20.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -1.042 . . . . 2.68 108.937 179.245 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.56 -45.7 88.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.304 -0.872 . . . . 2.22 108.658 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -62.67 -41.09 98.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.506 -0.746 . . . . 2.77 109.12 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.68 -56.37 21.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.535 -0.728 . . . . 0.43 109.545 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.97 -36.9 51.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.315 -0.866 . . . . 1.66 109.464 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.97 -53.58 51.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.402 -0.811 . . . . 0.44 109.883 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.72 -44.42 96.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.135 -0.978 . . . . 0.29 108.901 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.69 -43.73 62.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.318 -0.864 . . . . 2.44 109.225 179.631 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.19 -52.03 67.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.74 109.664 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.25 -36.28 77.41 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.3 108.665 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.23 -56.83 17.18 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.22 109.298 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.58 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.366 -0.834 . . . . 1.72 109.492 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.66 -54.06 51.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.82 . . . . 0.27 109.909 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.53 -46.56 89.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.166 -0.959 . . . . 0.29 109.225 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.82 -35.2 72.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.367 -0.833 . . . . 1.91 109.197 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.19 -46.93 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.326 -0.859 . . . . 0.41 109.317 179.889 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.36 -39.78 94.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.393 -0.817 . . . . 1.56 108.975 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.27 -33.98 65.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.626 -0.671 . . . . 1.43 109.45 179.763 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.57 35.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.66 109.745 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -80.02 1.73 26.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 1.18 109.608 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -82.39 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 1.23 109.349 179.917 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.5 77.5 0.9 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.563 -1.415 . . . . 1.54 109.563 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.34 141.71 29.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.25 -1.147 . . . . 4.18 109.504 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.12 148.72 7.65 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 5.71 108.953 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.9 150.48 46.04 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.965 1.11 . . . . 5.61 109.846 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 118.025 -1.431 . . . . 7.24 109.59 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.468 -0.567 . . . . 7.34 109.468 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.06 -121.76 1.93 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.887 . . . . 7.17 109.291 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 323' ' ' LEU . 33.5 ttpt 52.6 72.06 1.28 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 6.44 109.297 179.773 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -62.84 5.67 0.26 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.568 1.512 . . . . 4.54 110.139 -179.542 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.7 mt -81.39 41.38 0.61 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.912 . . . . 4.32 109.199 179.728 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.39 -130.05 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.58 -0.7 . . . . 2.47 109.914 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.74 156.73 52.48 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.019 -1.233 . . . . 0.95 110.019 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -59.99 136.4 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -1.024 . . . . 1.61 109.524 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -94.52 153.04 18.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.295 -0.878 . . . . 0.57 109.598 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -135.76 -169.42 2.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.351 -0.843 . . . . 0.53 109.314 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -152.31 146.83 25.69 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.32 -0.863 . . . . 0.38 108.723 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.1 135.23 30.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.372 -0.83 . . . . 0.36 109.716 -178.671 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.67 130.37 34.58 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.766 -0.827 . . . . 1.36 108.766 179.23 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.61 118.77 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.508 -0.745 . . . . 0.49 109.352 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.19 152.79 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 2.1 109.985 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.1 136.34 1.22 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.473 -1.051 . . . . 0.44 110.473 179.056 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.93 -41.4 20.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.437 -1.037 . . . . 2.72 108.934 179.274 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.63 -45.66 88.76 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.642 -0.873 . . . . 2.21 108.642 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -62.81 -40.94 98.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.427 -0.796 . . . . 2.79 109.122 179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -55.67 -56.42 20.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.45 109.534 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.89 -36.98 50.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 1.68 109.509 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.93 -53.58 51.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.3 -0.875 . . . . 0.43 109.929 -179.57 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.69 -44.53 96.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28 108.925 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.59 -43.72 62.58 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.253 -0.904 . . . . 2.52 109.277 179.603 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.12 -52.12 66.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.84 . . . . 1.75 109.657 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.15 -36.35 77.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.244 -0.91 . . . . 0.31 108.719 179.749 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.94 15.72 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.423 -0.798 . . . . 1.21 109.248 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.51 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.824 . . . . 1.69 109.486 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.61 -54.08 51.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -0.84 . . . . 0.27 109.951 -179.618 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.4 -46.6 89.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.173 -0.954 . . . . 0.3 109.294 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.76 -35.24 72.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 1.93 109.273 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.94 81.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.341 -0.849 . . . . 0.4 109.3 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -62.36 -39.78 94.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 1.59 109.018 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.33 -33.83 66.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.651 -0.655 . . . . 1.43 109.447 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.83 -52.57 35.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.65 109.769 -179.799 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -80.06 1.71 26.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 1.19 109.574 -179.792 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -82.31 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.915 . . . . 1.22 109.427 179.859 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.57 77.58 0.91 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.42 -1.472 . . . . 1.53 109.42 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.48 141.7 28.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -1.124 . . . . 4.21 109.461 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.05 148.74 7.42 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 5.68 108.995 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.92 150.51 46.01 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 120.973 1.115 . . . . 5.57 109.87 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.986 -1.452 . . . . 7.2 109.602 179.935 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.454 -0.573 . . . . 8.96 109.454 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 52.91 -121.71 1.92 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 8.15 109.267 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' C' ' 323' ' ' LEU . 33.5 ttpt 52.58 72.08 1.28 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.115 -0.99 . . . . 7.15 109.383 179.865 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -62.89 5.62 0.27 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.497 1.465 . . . . 4.35 110.198 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.8 mt -81.36 41.54 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 4.63 109.222 179.716 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -78.5 -129.87 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.704 -0.622 . . . . 2.85 109.961 -179.441 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 156.73 52.65 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.031 -1.228 . . . . 1.12 110.031 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.98 136.4 58.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -1.044 . . . . 2.11 109.63 179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.39 153.03 18.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.262 -0.898 . . . . 0.64 109.633 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -135.87 -169.43 2.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.344 -0.848 . . . . 0.49 109.341 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -152.24 146.87 25.76 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.68 -0.859 . . . . 0.47 108.68 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.6 tp -141.13 135.2 30.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.283 -0.886 . . . . 0.42 109.721 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.64 130.31 34.6 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.793 -0.818 . . . . 1.81 108.793 179.229 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.58 118.82 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.526 -0.734 . . . . 0.42 109.418 -179.711 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -76.11 152.82 36.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.585 -0.697 . . . . 2.35 110.078 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.0 136.37 1.18 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.468 -1.053 . . . . 0.41 110.468 179.061 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.89 -41.47 20.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -1.045 . . . . 2.59 108.89 179.322 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.67 -45.56 89.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 2.54 108.641 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -62.83 -41.02 99.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.4 -0.813 . . . . 3.39 109.124 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.76 -56.29 22.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.481 -0.762 . . . . 0.47 109.513 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.94 -36.97 51.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 1.66 109.481 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.89 -53.63 51.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.299 -0.876 . . . . 0.61 109.876 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -44.41 96.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.33 108.921 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.7 -43.67 62.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 3.28 109.233 179.629 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.07 66.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 1.78 109.66 -179.88 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.26 -36.31 77.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 0.38 108.644 179.768 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.17 -56.91 16.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.408 -0.808 . . . . 1.2 109.232 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.57 -31.08 72.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.12 109.446 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.62 -54.12 50.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 0.26 109.918 -179.63 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.44 -46.56 89.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.4 109.24 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.86 -35.18 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 2.09 109.262 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.92 81.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 0.75 109.297 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.48 -39.68 94.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.377 -0.827 . . . . 2.19 108.969 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.37 -33.83 66.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.559 -0.713 . . . . 1.34 109.453 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.54 35.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.72 109.787 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -80.09 1.74 26.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 1.8 109.61 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -82.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.257 -0.902 . . . . 1.39 109.435 179.862 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.41 77.49 0.89 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.507 -1.437 . . . . 1.66 109.507 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.41 141.72 28.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.258 -1.142 . . . . 4.45 109.511 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.14 148.66 7.8 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 6.19 108.985 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.79 150.42 45.37 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 120.967 1.111 . . . . 5.58 109.914 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.973 -1.459 . . . . 6.9 109.557 179.906 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.501 -0.555 . . . . 7.36 109.501 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.08 -121.84 1.94 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.929 . . . . 7.15 109.204 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' D' ' 323' ' ' LEU . 33.6 ttpt 52.71 71.99 1.3 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.156 -0.965 . . . . 6.5 109.366 179.857 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -62.86 5.68 0.26 Allowed 'Trans proline' 0 C--N 1.316 -1.136 0 C-N-CA 121.516 1.477 . . . . 4.5 110.194 -179.51 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.8 mt -81.37 41.49 0.62 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 4.32 109.225 179.658 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -78.43 -129.9 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.632 -0.668 . . . . 2.46 109.961 -179.471 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.93 156.96 52.58 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.973 -1.251 . . . . 0.97 109.973 -179.447 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.06 136.33 57.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -1.065 . . . . 1.67 109.561 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.47 153.1 18.09 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.286 -0.884 . . . . 0.61 109.557 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.91 -169.48 2.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.56 109.385 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -152.22 146.89 25.79 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.263 -0.898 . . . . 0.43 108.671 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.18 135.24 30.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.271 -0.893 . . . . 0.35 109.73 -178.753 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.57 130.36 34.59 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.797 -0.816 . . . . 1.37 108.797 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -123.61 118.85 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.449 -0.782 . . . . 0.48 109.407 -179.674 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.25 152.8 36.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.553 -0.717 . . . . 2.08 110.034 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.08 136.37 1.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.498 -1.041 . . . . 0.4 110.498 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -81.86 -41.49 20.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.398 -1.06 . . . . 2.64 108.886 179.344 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.62 -45.57 88.92 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.281 -0.887 . . . . 2.22 108.71 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.85 -40.97 99.09 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.456 -0.778 . . . . 2.74 109.078 179.63 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.71 -56.41 20.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.488 -0.757 . . . . 0.43 109.471 179.848 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.87 -36.99 50.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.236 -0.915 . . . . 1.69 109.517 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.9 -53.54 52.49 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.275 -0.891 . . . . 0.43 109.936 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.78 -44.45 96.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.27 108.854 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.61 -43.76 62.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.26 -0.9 . . . . 2.45 109.235 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.09 66.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 1.75 109.665 -179.827 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.17 -36.37 77.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.91 . . . . 0.31 108.671 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.18 -56.81 17.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.445 -0.784 . . . . 1.22 109.323 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.66 -31.02 72.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.365 -0.834 . . . . 1.73 109.499 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -54.15 50.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.28 109.95 -179.71 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.5 -46.57 89.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.143 -0.973 . . . . 0.31 109.258 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.74 -35.24 72.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 1.91 109.257 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.14 -46.97 81.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.43 109.339 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.39 -39.7 94.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 1.57 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.39 -33.89 66.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.572 -0.705 . . . . 1.44 109.367 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -52.6 35.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 0.64 109.722 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -80.03 1.64 26.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -0.823 . . . . 1.21 109.565 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.43 -82.44 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.271 -0.893 . . . . 1.22 109.415 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.49 77.6 0.89 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.484 -1.447 . . . . 1.5 109.484 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -86.44 141.65 28.97 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.176 -1.191 . . . . 4.18 109.48 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.01 148.63 7.45 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.947 . . . . 5.67 109.041 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.78 150.46 45.06 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.949 1.099 . . . . 5.65 109.899 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.412 0 CA-C-O 118.025 -1.43 . . . . 7.27 109.607 179.923 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 41.0 mttm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.25 -0.648 . . . . 7.33 109.25 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 321' ' ' LYS . 6.7 tptm 62.01 140.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 7.21 109.657 179.723 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 320' ' ' LYS . 45.8 pttt 35.41 62.6 2.39 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 122.029 -0.419 . . . . 6.47 111.033 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.86 105.9 1.03 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.446 1.431 . . . . 4.53 109.72 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.6 101.48 10.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.939 . . . . 4.35 109.605 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.14 -164.83 0.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 2.48 109.423 179.658 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.53 -174.35 11.8 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.888 -1.285 . . . . 0.98 109.888 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.72 135.66 57.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.34 -1.094 . . . . 1.7 109.644 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.78 159.57 14.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.23 -0.919 . . . . 0.61 109.568 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -139.56 -171.62 3.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.415 -0.803 . . . . 0.58 109.309 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.6 p -150.64 148.78 29.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.42 108.58 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.08 135.6 29.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 0.36 109.803 -178.606 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.63 130.82 34.67 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.547 -0.909 . . . . 1.37 108.547 178.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -123.39 111.86 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.503 -0.748 . . . . 0.47 109.072 -179.516 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.87 146.47 44.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 2.1 110.068 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 135.64 5.87 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.792 -1.323 . . . . 0.42 109.792 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.07 -49.05 10.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.254 -1.145 . . . . 2.68 109.642 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.29 -40.56 78.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.131 -0.981 . . . . 2.22 109.154 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.16 -41.65 97.06 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.2 -0.938 . . . . 2.77 109.306 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -55.05 -56.34 20.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.43 109.943 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.49 -37.02 46.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -0.904 . . . . 1.66 109.849 -179.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.23 -52.04 63.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.232 -0.917 . . . . 0.44 110.207 -179.373 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.34 -44.06 97.82 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.128 -0.983 . . . . 0.29 109.044 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.39 -43.78 62.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.308 -0.87 . . . . 2.44 109.205 179.52 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.56 -46.55 89.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 1.74 109.77 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.11 -42.6 98.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.3 109.131 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.23 -52.58 64.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.27 -0.893 . . . . 1.22 109.389 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.71 -35.94 79.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 1.72 109.693 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.07 -51.57 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.243 -0.911 . . . . 0.27 109.629 -179.772 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.53 -46.35 90.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.29 109.344 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.27 -35.5 73.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.307 -0.871 . . . . 1.91 109.408 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.33 -52.18 59.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.316 -0.865 . . . . 0.41 109.469 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -63.28 -46.73 85.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.412 -0.805 . . . . 1.56 109.102 179.787 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.546 -0.721 . . . . 1.43 109.786 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.66 109.743 -179.702 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.21 -2.92 53.91 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 1.18 109.771 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.1 62.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.138 -0.976 . . . . 1.23 109.523 -179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 45.83 3.58 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.338 -1.505 . . . . 1.54 109.338 179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.26 64.78 8.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -1.159 . . . . 4.18 109.536 -179.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -51.32 153.5 3.54 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.345 -0.847 . . . . 5.71 108.88 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.7 144.3 93.34 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 120.974 1.116 . . . . 5.61 109.902 179.59 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 117.958 -1.468 . . . . 7.24 109.606 179.893 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' B' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.288 -0.634 . . . . 7.34 109.288 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' B' ' 321' ' ' LYS . 6.8 tptm 61.96 140.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 7.17 109.689 179.72 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 320' ' ' LYS . 45.8 pttt 35.43 62.67 2.39 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 122.084 -0.385 . . . . 6.44 111.021 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.97 105.88 1.05 Allowed 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.438 1.425 . . . . 4.54 109.703 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.53 101.4 9.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 4.32 109.682 179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.04 -164.43 0.74 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.362 -0.836 . . . . 2.47 109.433 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.06 -174.04 13.25 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.885 -1.286 . . . . 0.95 109.885 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -60.87 135.62 57.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.336 -1.096 . . . . 1.61 109.613 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.81 159.35 15.09 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.908 . . . . 0.57 109.57 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -139.37 -171.57 3.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.53 109.246 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -150.53 148.87 29.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.588 -0.894 . . . . 0.38 108.588 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.9 tp -142.2 135.58 29.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.273 -0.892 . . . . 0.36 109.773 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.61 130.8 34.68 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.537 -0.912 . . . . 1.36 108.537 178.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -123.42 111.87 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.535 -0.728 . . . . 0.49 109.132 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.91 146.56 43.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.603 -0.686 . . . . 2.1 110.019 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 135.59 5.81 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.04 -49.03 10.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -1.098 . . . . 2.72 109.71 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.25 -40.57 77.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 2.21 109.19 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.2 -41.59 97.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.266 -0.896 . . . . 2.79 109.351 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.06 -56.35 20.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.45 109.944 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -37.04 46.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.68 109.911 -179.704 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.97 63.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.217 -0.927 . . . . 0.43 110.193 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.43 -43.94 97.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.187 -0.945 . . . . 0.28 109.055 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.48 -43.75 62.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.867 . . . . 2.52 109.196 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.55 -46.59 89.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 1.75 109.708 -179.848 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.19 -42.5 98.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 0.31 109.15 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.25 -52.58 64.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.248 -0.908 . . . . 1.21 109.361 179.602 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.77 -35.87 79.4 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 1.69 109.692 -179.793 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.16 -51.47 69.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 0.27 109.651 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.61 -46.0 91.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.215 -0.928 . . . . 0.3 109.328 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -35.45 74.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.288 -0.883 . . . . 1.93 109.425 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.27 -52.09 60.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.355 -0.841 . . . . 0.4 109.399 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -63.45 -46.81 84.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.386 -0.822 . . . . 1.59 109.169 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.94 -36.53 74.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.547 -0.72 . . . . 1.43 109.806 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.29 78.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.155 -0.965 . . . . 0.65 109.743 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.12 -3.08 54.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 1.19 109.793 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -24.13 62.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.96 . . . . 1.22 109.582 -179.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.02 45.93 3.6 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.363 -1.495 . . . . 1.53 109.363 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.28 64.68 8.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -1.162 . . . . 4.21 109.536 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -51.2 153.46 3.37 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.373 -0.829 . . . . 5.68 108.868 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.6 144.29 92.91 Favored 'Trans proline' 0 C--N 1.323 -0.806 0 C-N-CA 121.023 1.149 . . . . 5.57 109.906 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 118.019 -1.434 . . . . 7.2 109.577 179.832 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.27 -0.641 . . . . 8.96 109.27 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' C' ' 321' ' ' LYS . 6.7 tptm 61.96 140.15 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.409 -0.807 . . . . 8.15 109.701 179.665 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' C' ' 320' ' ' LYS . 45.7 pttt 35.39 62.68 2.37 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 122.119 -0.363 . . . . 7.15 111.036 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.91 105.81 1.03 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.436 1.424 . . . . 4.35 109.768 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.51 101.4 9.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 4.63 109.645 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.04 -164.65 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 2.85 109.384 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.74 -174.23 12.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.894 -1.283 . . . . 1.12 109.894 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 135.65 57.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -1.103 . . . . 2.11 109.662 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -94.73 159.32 15.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.869 . . . . 0.64 109.698 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -139.36 -171.59 3.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.407 -0.808 . . . . 0.49 109.273 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.59 148.68 28.94 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.665 -0.865 . . . . 0.47 108.665 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.0 tp -142.04 135.61 29.39 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.379 -0.825 . . . . 0.42 109.764 -178.622 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.65 130.73 34.68 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.561 -0.903 . . . . 1.81 108.561 178.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.4 111.85 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.42 109.099 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.85 146.53 44.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.575 -0.703 . . . . 2.35 110.089 -179.647 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.68 135.85 5.91 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.769 -1.333 . . . . 0.41 109.769 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.33 -49.03 10.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 2.59 109.636 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.28 -40.54 77.98 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.15 -0.969 . . . . 2.54 109.159 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -64.22 -41.64 96.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.94 . . . . 3.39 109.338 179.767 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.02 -56.43 19.89 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.574 -0.704 . . . . 0.47 109.893 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.35 -37.1 46.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 1.66 109.875 -179.658 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.98 63.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.61 110.164 -179.299 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.39 -44.02 97.87 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.144 -0.972 . . . . 0.33 109.025 -179.734 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.4 -43.79 62.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 3.28 109.248 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.52 -46.58 89.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.78 109.749 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.22 -42.5 98.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 0.38 109.121 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -58.29 -52.57 65.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.2 109.305 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -61.77 -35.84 79.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.363 -0.836 . . . . 2.12 109.713 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.14 -51.55 69.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.26 109.642 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.46 -46.0 91.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.4 109.387 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.67 -35.45 74.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 2.09 109.415 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.3 -52.06 60.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.391 -0.818 . . . . 0.75 109.454 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -63.37 -46.95 84.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.435 -0.79 . . . . 2.19 109.135 179.704 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.89 -36.49 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.488 -0.758 . . . . 1.34 109.813 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.27 78.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.72 109.741 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.25 -2.95 54.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -0.882 . . . . 1.8 109.717 -179.769 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.04 62.68 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 1.39 109.603 -179.914 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 45.84 3.58 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.386 -1.486 . . . . 1.66 109.386 179.812 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.28 64.78 8.47 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -1.137 . . . . 4.45 109.484 -179.797 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -51.36 153.52 3.58 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.356 -0.84 . . . . 6.19 108.84 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -57.68 144.31 93.2 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 121.005 1.137 . . . . 5.58 109.901 179.557 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 118.0 -1.444 . . . . 6.9 109.591 179.878 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' D' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.234 -0.654 . . . . 7.36 109.234 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' D' ' 321' ' ' LYS . 6.7 tptm 61.93 140.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.395 -0.816 . . . . 7.15 109.724 179.724 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' D' ' 320' ' ' LYS . 45.7 pttt 35.43 62.65 2.39 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 122.067 -0.396 . . . . 6.5 111.029 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.96 105.9 1.05 Allowed 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.435 1.424 . . . . 4.5 109.704 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.58 101.44 9.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.236 -0.915 . . . . 4.32 109.652 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.02 -164.65 0.77 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.37 -0.831 . . . . 2.46 109.452 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.8 -174.21 12.63 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.894 -1.282 . . . . 0.97 109.894 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.75 135.61 57.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 1.67 109.681 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -94.72 159.46 15.05 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.61 109.621 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.47 -171.54 3.16 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.56 109.211 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.62 148.64 28.87 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.656 -0.868 . . . . 0.43 108.656 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.98 135.64 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.35 109.749 -178.598 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.64 130.77 34.67 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.559 -0.904 . . . . 1.37 108.559 178.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.38 111.87 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.471 -0.768 . . . . 0.48 109.101 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.95 146.55 43.83 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.578 -0.701 . . . . 2.08 110.015 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.65 135.56 5.79 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.776 -1.329 . . . . 0.4 109.776 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -81.96 -49.12 10.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -1.099 . . . . 2.64 109.687 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.23 -40.5 77.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.102 -0.999 . . . . 2.22 109.186 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.33 -41.55 96.75 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.233 -0.917 . . . . 2.74 109.316 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.03 -56.39 20.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.578 -0.701 . . . . 0.43 109.91 -179.745 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.44 -37.07 46.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 1.69 109.829 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.26 -51.95 64.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.208 -0.932 . . . . 0.43 110.234 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.37 -44.01 97.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -0.949 . . . . 0.27 109.084 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.4 -43.77 62.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.256 -0.903 . . . . 2.45 109.241 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.56 -46.6 89.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.356 -0.84 . . . . 1.75 109.705 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.08 -42.67 98.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.31 109.104 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.24 -52.59 64.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.895 . . . . 1.22 109.371 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.72 -35.85 79.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.73 109.689 -179.846 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -51.51 69.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.89 . . . . 0.28 109.65 -179.775 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.51 -46.37 90.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.26 -0.9 . . . . 0.31 109.335 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.21 -35.59 73.89 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.34 -0.85 . . . . 1.91 109.432 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.31 -52.14 59.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.822 . . . . 0.43 109.497 -179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.425 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -63.3 -46.76 85.21 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.386 -0.821 . . . . 1.57 109.089 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.02 -36.61 75.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.561 -0.712 . . . . 1.44 109.772 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.23 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 0.64 109.719 -179.646 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.15 -3.02 54.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.322 -0.861 . . . . 1.21 109.792 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.11 62.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 1.22 109.596 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.01 45.81 3.58 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.409 -1.476 . . . . 1.5 109.409 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.2 64.7 8.48 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -1.167 . . . . 4.18 109.519 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -51.24 153.46 3.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 5.67 108.869 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.64 144.28 93.1 Favored 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 120.945 1.096 . . . . 5.65 109.944 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 CA-C-O 118.002 -1.443 . . . . 7.27 109.592 179.865 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.496 -0.557 . . . . 7.33 109.496 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 320' ' ' LYS . 3.9 mptp? 55.07 -80.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.681 . . . . 7.21 109.976 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 319' ' ' LYS . 28.9 mtpt 56.85 103.55 0.03 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.417 -0.802 . . . . 6.47 109.432 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.54 -152.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 120.854 1.036 . . . . 4.53 110.15 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.6 mm? -78.41 110.46 13.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.926 . . . . 4.35 109.504 -179.808 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.88 -115.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.561 -0.712 . . . . 2.48 109.248 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 155.22 53.58 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.385 -1.486 . . . . 0.98 109.385 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.92 134.97 57.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -1.153 . . . . 1.7 109.538 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.32 155.23 17.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.289 -0.882 . . . . 0.61 109.509 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.97 -171.29 2.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.443 -0.786 . . . . 0.58 109.443 -179.763 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.75 148.65 28.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.365 -0.834 . . . . 0.42 108.819 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.2 133.79 28.55 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.302 -0.874 . . . . 0.36 109.817 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.8 127.48 34.15 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.56 -0.904 . . . . 1.37 108.56 179.266 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.9 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.459 -0.776 . . . . 0.47 109.444 -179.465 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.411 HH11 ' CG ' ' A' ' 333' ' ' ARG . 1.8 ttt-85 -75.65 151.2 37.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 2.1 109.685 179.759 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.45 131.92 3.98 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.121 -1.192 . . . . 0.42 110.121 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.02 -48.61 12.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -1.07 . . . . 2.68 109.189 179.743 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.37 -43.32 88.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 2.22 108.974 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.51 -42.21 98.5 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.478 -0.764 . . . . 2.77 109.189 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.44 -55.67 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.611 -0.681 . . . . 0.43 109.727 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.84 -36.62 48.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.319 -0.863 . . . . 1.66 109.947 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.23 67.44 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.221 -0.924 . . . . 0.44 110.237 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.08 -43.71 98.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.078 -1.014 . . . . 0.29 108.95 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.37 -45.4 62.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.346 -0.846 . . . . 2.44 109.514 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.58 -45.33 94.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.265 -0.897 . . . . 1.74 109.952 -179.793 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.26 -43.72 98.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.127 -0.983 . . . . 0.3 109.428 -179.83 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.437 ' O ' ' OE2' ' A' ' 349' ' ' GLU . 40.3 t30 -58.98 -50.13 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.904 . . . . 1.22 109.534 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.93 -34.3 74.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 1.72 109.912 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.12 -48.6 81.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.27 109.953 -179.647 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.96 -47.15 86.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.941 . . . . 0.29 109.552 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 349' ' ' GLU . 0.1 OUTLIER -55.41 -39.07 69.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.09 -1.006 . . . . 1.91 109.6 179.93 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -63.46 -41.77 98.63 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.089 -1.078 . . . . 0.41 108.089 179.519 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.75 -46.41 89.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 1.56 108.465 179.122 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.34 -29.0 63.63 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.248 0.547 . . . . 1.43 109.778 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.64 88.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.2 -0.938 . . . . 0.66 109.567 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -82.03 -5.8 58.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 1.18 109.643 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -70.64 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 1.23 109.531 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.71 80.39 0.06 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 1.54 109.579 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 355' ' ' ALA . 34.1 ttpt -85.93 129.3 34.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.191 -1.182 . . . . 4.18 109.442 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.38 153.03 3.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 5.71 109.054 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.96 141.72 85.82 Favored 'Trans proline' 0 C--O 1.215 -0.674 0 C-N-CA 120.999 1.133 . . . . 5.61 109.89 179.538 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.452 -1.459 . . . . 7.24 109.452 179.882 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.42 -0.585 . . . . 7.34 109.42 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' B' ' 320' ' ' LYS . 3.9 mptp? 55.04 -80.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.585 -0.697 . . . . 7.17 109.964 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 319' ' ' LYS . 29.0 mtpt 56.84 103.6 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.319 -0.863 . . . . 6.44 109.388 -179.662 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.54 -152.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 120.807 1.005 . . . . 4.54 110.132 -179.507 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' B' ' 323' ' ' LEU . 3.6 mm? -78.37 110.51 13.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 4.32 109.495 -179.803 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.9 -115.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.534 -0.729 . . . . 2.47 109.209 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 155.19 53.59 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.387 -1.485 . . . . 0.95 109.387 179.695 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.97 134.98 57.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -1.147 . . . . 1.61 109.522 -179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.25 155.05 17.67 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.57 109.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.85 -171.25 2.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.333 -0.854 . . . . 0.53 109.434 -179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.76 148.69 28.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.331 -0.856 . . . . 0.38 108.836 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -141.19 133.72 28.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.307 -0.87 . . . . 0.36 109.881 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.76 127.44 34.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.617 -0.883 . . . . 1.36 108.617 179.219 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.97 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.501 -0.749 . . . . 0.49 109.424 -179.479 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -75.62 151.17 37.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.427 -0.796 . . . . 2.1 109.725 179.726 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.48 131.93 4.0 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.15 -1.18 . . . . 0.44 110.15 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -80.98 -48.69 11.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -1.104 . . . . 2.72 109.163 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.27 -43.36 87.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.095 -1.003 . . . . 2.21 109.023 179.757 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -63.57 -42.18 98.35 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.365 -0.835 . . . . 2.79 109.201 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -55.4 -55.59 29.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.628 -0.67 . . . . 0.45 109.765 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.96 -36.59 50.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.266 -0.896 . . . . 1.68 109.907 -179.561 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.1 -51.24 67.36 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.219 -0.926 . . . . 0.43 110.156 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.06 -43.65 98.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.125 -0.985 . . . . 0.28 109.055 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.49 -45.19 62.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.345 -0.847 . . . . 2.52 109.55 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.78 -45.21 95.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.872 . . . . 1.75 109.908 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.31 109.493 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.439 ' O ' ' OE2' ' B' ' 349' ' ' GLU . 40.3 t30 -59.11 -50.08 75.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 1.21 109.475 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -34.35 74.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.158 -0.964 . . . . 1.69 109.843 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.05 -48.73 80.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.19 -0.944 . . . . 0.27 109.942 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.77 -47.19 86.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.3 109.61 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 349' ' ' GLU . 0.1 OUTLIER -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 1.93 109.547 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -63.48 -41.81 98.58 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.031 -1.1 . . . . 0.4 108.031 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.18 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.537 -0.912 . . . . 1.59 108.537 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.33 -29.12 63.69 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.284 0.564 . . . . 1.43 109.757 179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.67 89.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.65 109.592 -179.808 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -81.98 -5.86 58.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 1.19 109.593 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -70.58 -87.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.22 109.61 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.76 80.43 0.06 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.596 -1.402 . . . . 1.53 109.596 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' B' ' 355' ' ' ALA . 34.1 ttpt -85.93 129.26 34.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.239 -1.154 . . . . 4.21 109.511 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.28 153.0 3.77 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 5.68 109.086 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.87 141.63 85.23 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.073 1.182 . . . . 5.57 109.948 179.428 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 118.019 -1.434 . . . . 7.2 109.526 179.878 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' C' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.449 -0.574 . . . . 8.96 109.449 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' C' ' 320' ' ' LYS . 3.9 mptp? 55.1 -80.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.481 -0.762 . . . . 8.15 110.024 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' C' ' 319' ' ' LYS . 28.9 mtpt 56.91 103.41 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 7.15 109.47 -179.772 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.36 -153.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 120.863 1.042 . . . . 4.35 110.168 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.6 mm? -78.39 110.46 13.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 4.63 109.45 -179.83 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.87 -115.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.535 -0.728 . . . . 2.85 109.246 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.94 155.24 53.56 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.333 -1.507 . . . . 1.12 109.333 179.736 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.94 135.02 57.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 2.11 109.539 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -93.34 155.16 17.56 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.209 -0.932 . . . . 0.64 109.489 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.87 -171.22 2.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.386 -0.821 . . . . 0.49 109.418 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.83 148.52 27.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.47 108.884 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.15 133.85 28.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.268 -0.895 . . . . 0.42 109.84 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.86 127.39 34.13 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.64 -0.874 . . . . 1.81 108.64 179.279 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.86 114.89 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.489 -0.757 . . . . 0.42 109.47 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.8 ttt-85 -75.72 151.23 37.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.519 -0.738 . . . . 2.35 109.583 179.799 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.44 131.98 3.99 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.133 -1.187 . . . . 0.41 110.133 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.04 -48.64 11.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -1.071 . . . . 2.59 109.236 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.36 -43.24 88.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 2.54 108.993 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.6 -42.2 98.27 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.332 -0.855 . . . . 3.39 109.184 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -55.48 -55.53 30.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.636 -0.665 . . . . 0.47 109.776 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.94 -36.65 49.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.66 109.91 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.99 -51.32 67.32 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.61 110.184 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.08 -43.65 98.56 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.116 -0.99 . . . . 0.33 109.047 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.46 -45.28 62.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.227 -0.921 . . . . 3.28 109.548 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.62 -45.31 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 1.78 109.924 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.32 -43.68 98.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.942 . . . . 0.38 109.42 -179.807 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.45 ' O ' ' OE2' ' C' ' 349' ' ' GLU . 40.5 t30 -59.05 -50.03 75.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 1.2 109.502 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.94 -34.35 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.926 . . . . 2.12 109.872 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.11 -48.61 80.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.187 -0.946 . . . . 0.26 109.967 -179.638 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -47.07 86.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.4 109.607 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' C' ' 349' ' ' GLU . 0.1 OUTLIER -55.56 -39.02 70.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.038 -1.039 . . . . 2.09 109.531 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.558 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -63.44 -41.82 98.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.056 -1.09 . . . . 0.75 108.056 179.503 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.68 -46.4 89.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 2.19 108.538 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.27 -29.07 63.53 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.304 0.573 . . . . 1.34 109.832 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.57 89.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.72 109.67 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -82.11 -5.81 58.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.859 . . . . 1.8 109.56 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -70.6 -87.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 1.39 109.585 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.71 80.44 0.06 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.614 -1.394 . . . . 1.66 109.614 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' C' ' 355' ' ' ALA . 34.1 ttpt -85.97 129.27 34.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.212 -1.169 . . . . 4.45 109.457 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -51.26 153.06 3.72 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 6.19 109.083 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.94 141.68 85.73 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 121.125 1.217 . . . . 5.58 109.905 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.012 -1.438 . . . . 6.9 109.527 179.852 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' D' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.474 -0.565 . . . . 7.36 109.474 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' D' ' 320' ' ' LYS . 3.9 mptp? 55.08 -80.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.516 -0.74 . . . . 7.15 110.011 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' D' ' 319' ' ' LYS . 28.8 mtpt 56.87 103.52 0.03 OUTLIER Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.348 -0.845 . . . . 6.5 109.434 -179.732 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.52 -152.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 120.789 0.993 . . . . 4.5 110.133 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.458 HD22 ' N ' ' D' ' 323' ' ' LEU . 3.6 mm? -78.4 110.48 13.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 4.32 109.457 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.93 -115.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.579 -0.701 . . . . 2.46 109.185 179.786 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 155.23 53.58 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.402 -1.479 . . . . 0.97 109.402 179.759 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -59.01 134.98 57.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -1.172 . . . . 1.67 109.527 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -93.22 155.15 17.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.3 -0.875 . . . . 0.61 109.619 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.96 -171.36 2.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.42 -0.8 . . . . 0.56 109.382 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 148.57 28.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.218 -0.926 . . . . 0.43 108.882 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.13 133.92 28.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.266 -0.896 . . . . 0.35 109.843 -178.814 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.93 127.39 34.15 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.584 -0.895 . . . . 1.37 108.584 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.3 mt -123.87 114.88 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.543 -0.723 . . . . 0.48 109.481 -179.449 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.8 ttt-85 -75.59 151.28 37.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.513 -0.742 . . . . 2.08 109.72 179.717 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.37 131.91 3.94 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.142 -1.183 . . . . 0.4 110.142 179.659 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.01 -48.55 12.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -1.098 . . . . 2.64 109.235 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.4 -43.29 88.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.193 -0.942 . . . . 2.22 109.017 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.418 -0.801 . . . . 2.74 109.222 179.604 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.653 -0.654 . . . . 0.43 109.785 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.78 -36.73 48.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.69 109.955 -179.675 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.18 67.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.23 -0.918 . . . . 0.43 110.237 -179.433 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.15 -43.59 98.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.226 -0.922 . . . . 0.27 109.034 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.47 -45.31 62.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.288 -0.883 . . . . 2.45 109.444 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.66 -45.23 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 1.75 109.972 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.37 -43.65 98.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.955 . . . . 0.31 109.477 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.452 ' O ' ' OE2' ' D' ' 349' ' ' GLU . 40.3 t30 -59.01 -50.09 75.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.117 -0.989 . . . . 1.22 109.545 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.98 -34.37 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 1.73 109.826 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.13 -48.63 80.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.293 -0.879 . . . . 0.28 109.94 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.74 -47.23 86.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.31 109.635 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' D' ' 349' ' ' GLU . 0.1 OUTLIER -55.39 -39.1 69.76 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.115 -0.991 . . . . 1.91 109.614 179.961 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.556 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -63.44 -41.8 98.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.077 -1.083 . . . . 0.43 108.077 179.51 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.16 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.502 -0.925 . . . . 1.57 108.502 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.32 -29.15 63.7 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.266 0.555 . . . . 1.44 109.721 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.64 89.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.235 -0.916 . . . . 0.64 109.597 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -82.06 -5.86 58.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.237 -0.914 . . . . 1.21 109.567 -179.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -70.55 -87.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.281 -0.887 . . . . 1.22 109.539 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.73 80.52 0.06 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.605 -1.398 . . . . 1.5 109.605 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' D' ' 355' ' ' ALA . 34.1 ttpt -86.1 129.27 34.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -1.127 . . . . 4.18 109.359 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.31 153.03 3.8 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 5.67 109.087 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.96 141.72 85.8 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.094 1.196 . . . . 5.65 109.906 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.45 -1.46 . . . . 7.27 109.45 179.891 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.428 -0.582 . . . . 7.33 109.428 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.82 75.62 0.26 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.41 -0.806 . . . . 7.21 109.661 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 322' ' ' PRO . 7.6 mtmp? 56.15 82.08 0.25 Allowed Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.336 -0.853 . . . . 6.47 110.051 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.4 Cg_exo -59.53 -146.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.21 1.273 . . . . 4.53 109.952 -179.687 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 mt -77.45 99.98 5.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.004 -1.06 . . . . 4.35 109.226 -179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 327' ' ' TYR . 37.7 m-20 -81.22 159.26 24.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.458 -0.776 . . . . 2.48 109.649 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 166.03 46.68 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.389 -1.484 . . . . 0.98 109.389 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.33 139.7 56.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.269 -1.136 . . . . 1.7 109.507 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 324' ' ' ASP . 82.1 m-85 -95.46 150.0 20.78 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.273 -0.892 . . . . 0.61 109.989 -179.775 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.05 137.55 32.99 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.453 -0.943 . . . . 0.58 108.453 178.876 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -95.92 163.22 13.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.379 -0.825 . . . . 0.42 109.326 -179.49 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.81 129.93 14.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.36 110.092 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.92 124.9 32.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.556 -0.905 . . . . 1.37 108.556 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.1 117.02 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.496 -0.752 . . . . 0.47 109.669 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.48 156.84 34.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.468 -0.77 . . . . 2.1 109.881 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.8 136.99 3.19 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.332 -1.107 . . . . 0.42 110.332 179.093 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.48 -47.01 12.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.353 -1.086 . . . . 2.68 109.037 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.49 -45.19 89.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 2.22 109.074 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.5 -44.06 96.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.386 -0.821 . . . . 2.77 109.281 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.2 -57.8 9.79 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.513 -0.742 . . . . 0.43 109.537 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.1 -39.97 60.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.4 -0.812 . . . . 1.66 109.802 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.37 -49.61 73.15 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.318 -0.864 . . . . 0.44 110.193 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.41 97.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.29 109.138 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.21 -42.76 61.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.186 -0.946 . . . . 2.44 109.362 179.623 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.14 -44.62 97.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 1.74 109.859 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.51 -44.11 97.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.3 109.131 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.55 -52.76 64.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 1.22 109.535 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.49 -35.8 81.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 1.72 109.994 -179.745 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.34 65.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.27 110.239 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.53 -43.1 99.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 0.29 109.599 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.19 -34.99 72.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.165 -0.96 . . . . 1.91 109.514 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.66 -48.72 73.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.304 -0.873 . . . . 0.41 109.695 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.44 -42.94 99.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.312 -0.868 . . . . 1.56 108.97 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.451 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 50.6 m-20 -55.95 -32.85 64.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.567 -0.708 . . . . 1.43 109.419 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -54.3 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.372 -0.83 . . . . 0.66 110.135 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -81.23 -5.0 57.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 1.18 110.224 -179.134 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.7 -16.1 62.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 1.23 109.338 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 32.31 3.7 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.63 -1.388 . . . . 1.54 109.63 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.89 90.68 8.41 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.143 -1.21 . . . . 4.18 109.367 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.54 114.46 5.67 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 5.71 109.182 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.97 114.93 2.3 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 N-CA-C 109.993 -0.81 . . . . 5.61 109.993 -179.719 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.455 -1.458 . . . . 7.24 109.455 179.85 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.448 -0.575 . . . . 7.34 109.448 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.87 75.54 0.27 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.411 -0.806 . . . . 7.17 109.636 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 322' ' ' PRO . 7.6 mtmp? 56.28 81.99 0.25 Allowed Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 6.44 110.033 179.43 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' B' ' 321' ' ' LYS . 5.5 Cg_exo -59.42 -146.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.275 1.317 . . . . 4.54 109.901 -179.67 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.46 100.03 5.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.982 -1.074 . . . . 4.32 109.192 -179.9 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.434 ' CB ' ' OH ' ' B' ' 327' ' ' TYR . 37.3 m-20 -81.21 159.22 24.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.496 -0.752 . . . . 2.47 109.667 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 165.92 46.65 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.386 -1.486 . . . . 0.95 109.386 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.21 139.73 56.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -1.213 . . . . 1.61 109.492 -179.95 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.434 ' OH ' ' CB ' ' B' ' 324' ' ' ASP . 81.5 m-85 -95.43 149.92 20.87 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.57 109.986 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.05 137.58 33.01 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.428 -0.953 . . . . 0.53 108.428 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -95.78 163.28 13.24 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.311 -0.868 . . . . 0.38 109.312 -179.422 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.93 129.84 14.31 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.862 . . . . 0.36 110.093 -179.119 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.91 124.84 32.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.573 -0.899 . . . . 1.36 108.573 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.02 117.14 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.529 -0.732 . . . . 0.49 109.62 -179.362 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -75.65 156.96 34.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.833 . . . . 2.1 109.796 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.88 3.16 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.311 -1.116 . . . . 0.44 110.311 179.096 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.4 -47.04 12.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -1.036 . . . . 2.72 109.056 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.44 -45.28 88.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 2.21 109.041 179.556 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 22.9 ttm180 -60.55 -43.87 96.74 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.356 -0.84 . . . . 2.79 109.257 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.33 -57.86 9.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.543 -0.723 . . . . 0.45 109.484 -179.879 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.03 -39.96 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.344 -0.848 . . . . 1.68 109.858 -179.589 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.5 -49.43 73.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.267 -0.896 . . . . 0.43 110.19 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.28 -44.53 97.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.28 109.065 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.1 -42.84 60.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.945 . . . . 2.52 109.382 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.06 -44.68 97.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 1.75 109.851 -179.718 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -44.07 97.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.31 109.112 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.67 -52.65 64.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 1.21 109.528 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.51 -35.89 81.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 1.69 109.926 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -52.36 65.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.858 . . . . 0.27 110.16 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.4 -43.15 99.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.986 . . . . 0.3 109.628 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.23 -35.09 73.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 1.93 109.412 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -48.79 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.4 109.691 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.36 -42.91 99.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 1.59 109.017 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -56.0 -32.75 64.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.607 -0.683 . . . . 1.43 109.456 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.21 18.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.65 110.156 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -81.26 -5.08 57.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 1.19 110.249 -179.185 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -16.15 62.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.908 -1.12 . . . . 1.22 109.381 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.69 32.44 3.69 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.588 -1.405 . . . . 1.53 109.588 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.97 90.64 8.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.195 -1.179 . . . . 4.21 109.398 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.4 114.3 5.4 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.168 -0.957 . . . . 5.68 109.216 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.87 114.87 2.26 Favored 'Trans proline' 0 C--O 1.214 -0.683 0 N-CA-C 110.016 -0.802 . . . . 5.57 110.016 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.396 -1.482 . . . . 7.2 109.396 179.883 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 89.2 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.454 -0.573 . . . . 8.96 109.454 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.75 75.62 0.26 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.457 -0.777 . . . . 8.15 109.686 -179.895 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' C' ' 322' ' ' PRO . 7.6 mtmp? 56.24 82.02 0.25 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.422 -0.799 . . . . 7.15 110.06 179.431 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' C' ' 321' ' ' LYS . 5.4 Cg_exo -59.5 -146.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.246 1.298 . . . . 4.35 109.87 -179.655 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -77.46 100.02 5.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.975 -1.078 . . . . 4.63 109.192 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.439 ' CB ' ' OH ' ' C' ' 327' ' ' TYR . 37.5 m-20 -81.22 159.3 24.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.442 -0.786 . . . . 2.85 109.629 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 165.9 46.85 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.459 -1.456 . . . . 1.12 109.459 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.3 139.73 56.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -1.172 . . . . 2.11 109.514 -179.867 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.439 ' OH ' ' CB ' ' C' ' 324' ' ' ASP . 82.2 m-85 -95.41 149.8 20.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.176 -0.952 . . . . 0.64 110.061 -179.76 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -140.91 137.54 33.22 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.437 -0.949 . . . . 0.49 108.437 178.805 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.5 p -95.69 163.28 13.25 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.335 -0.853 . . . . 0.47 109.367 -179.509 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.92 129.94 14.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.953 . . . . 0.42 110.027 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.95 124.8 32.08 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.641 -0.874 . . . . 1.81 108.641 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.05 117.13 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 121.558 -0.714 . . . . 0.42 109.695 -179.391 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.63 156.92 34.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.77 . . . . 2.35 109.817 179.881 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.87 3.17 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.346 -1.101 . . . . 0.41 110.346 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.35 -47.08 12.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -1.032 . . . . 2.59 109.036 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.51 -45.25 89.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.877 . . . . 2.54 108.966 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.451 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 22.9 ttm180 -60.57 -43.87 96.82 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.354 -0.841 . . . . 3.39 109.276 179.729 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.34 -57.8 9.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.724 . . . . 0.47 109.533 -179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.09 -39.94 60.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 1.66 109.796 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.45 -49.53 73.3 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.21 -0.931 . . . . 0.61 110.175 -179.345 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.47 97.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.095 -1.003 . . . . 0.33 109.099 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.24 -42.85 61.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.25 -0.906 . . . . 3.28 109.358 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.97 -44.7 96.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.78 109.942 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.37 -44.2 97.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.38 109.096 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.63 -52.63 64.86 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.273 -0.892 . . . . 1.2 109.561 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.54 -35.87 81.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.381 -0.824 . . . . 2.12 110.008 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.44 65.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.26 110.214 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.5 -42.97 99.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.132 -0.98 . . . . 0.4 109.697 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.32 -34.98 72.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.09 109.498 179.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.59 -48.83 73.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 0.75 109.686 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.42 -42.88 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 2.19 108.966 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.534 -0.728 . . . . 1.34 109.465 179.756 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -54.24 18.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 0.72 110.139 -179.615 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -81.22 -4.99 57.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.273 -0.892 . . . . 1.8 110.249 -179.197 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.73 -16.11 62.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.004 -1.06 . . . . 1.39 109.403 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.64 32.35 3.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.583 -1.407 . . . . 1.66 109.583 179.861 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.85 90.6 8.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.136 -1.214 . . . . 4.45 109.41 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.51 114.28 5.44 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 6.19 109.169 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.79 114.9 2.27 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 N-CA-C 109.985 -0.814 . . . . 5.58 109.985 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.382 -1.487 . . . . 6.9 109.382 179.89 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 89.2 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.406 -0.59 . . . . 7.36 109.406 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 53.76 75.6 0.26 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.424 -0.797 . . . . 7.15 109.669 -179.863 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 322' ' ' PRO . 7.6 mtmp? 56.28 82.05 0.25 Allowed Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.351 -0.843 . . . . 6.5 110.006 179.395 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' D' ' 321' ' ' LYS . 5.4 Cg_exo -59.6 -146.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 121.371 1.381 . . . . 4.5 109.791 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.43 100.12 5.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.011 -1.055 . . . . 4.32 109.14 -179.863 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.435 ' CB ' ' OH ' ' D' ' 327' ' ' TYR . 37.5 m-20 -81.24 159.24 24.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.457 -0.777 . . . . 2.46 109.662 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 166.04 46.32 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.394 -1.483 . . . . 0.97 109.394 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.42 139.6 56.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -1.145 . . . . 1.67 109.409 -179.867 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.435 ' OH ' ' CB ' ' D' ' 324' ' ' ASP . 82.2 m-85 -95.37 149.97 20.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.61 109.976 -179.806 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.06 137.66 33.04 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.403 -0.962 . . . . 0.56 108.403 178.782 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -95.87 163.09 13.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 0.43 109.442 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.8 129.92 14.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.35 110.0 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.88 124.84 32.09 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.668 -0.864 . . . . 1.37 108.668 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.05 117.02 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.534 -0.728 . . . . 0.48 109.765 -179.379 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -75.46 156.79 34.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.493 -0.754 . . . . 2.08 109.867 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.88 136.94 3.21 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.351 -1.1 . . . . 0.4 110.351 179.063 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.47 -46.94 12.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.42 -1.047 . . . . 2.64 109.104 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.59 -45.15 89.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 2.22 108.964 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.418 -0.801 . . . . 2.74 109.283 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -54.3 -57.71 10.17 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.495 -0.753 . . . . 0.43 109.554 -179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.17 -39.9 60.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.359 -0.838 . . . . 1.69 109.797 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.48 -49.45 73.55 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.257 -0.902 . . . . 0.43 110.222 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.37 -44.33 97.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.0 . . . . 0.27 109.12 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.23 -42.85 61.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 2.45 109.326 179.641 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.05 -44.63 97.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.75 109.881 -179.691 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.48 -44.07 97.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.142 -0.974 . . . . 0.31 109.161 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.69 -52.57 65.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.22 109.587 179.765 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.6 -35.82 81.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.73 110.01 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.36 65.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.28 110.253 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.56 -43.07 99.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.964 . . . . 0.31 109.59 -179.672 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.2 -35.04 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 1.91 109.469 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.64 -48.85 73.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.43 109.588 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.35 -42.94 99.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.28 -0.888 . . . . 1.57 108.995 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 50.4 m-20 -56.01 -32.77 64.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.582 -0.699 . . . . 1.44 109.426 179.733 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.21 18.41 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.388 -0.82 . . . . 0.64 110.168 -179.558 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -81.22 -5.06 57.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 1.21 110.265 -179.19 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.67 -16.06 62.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.928 -1.108 . . . . 1.22 109.35 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.76 32.43 3.71 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.625 -1.39 . . . . 1.5 109.625 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.94 90.76 8.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.18 -1.188 . . . . 4.18 109.369 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.6 114.36 5.58 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 5.67 109.205 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.79 114.92 2.28 Favored 'Trans proline' 0 C--O 1.214 -0.68 0 N-CA-C 109.992 -0.811 . . . . 5.65 109.992 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.444 -1.462 . . . . 7.27 109.444 179.825 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.405 -0.591 . . . . 7.33 109.405 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 321' ' ' LYS . 86.6 mttt 54.13 23.94 4.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.867 . . . . 7.21 109.567 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 320' ' ' LYS . 40.0 mttp 60.0 147.67 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.726 -0.609 . . . . 6.47 109.58 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.6 Cg_endo -57.71 -155.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 120.912 1.075 . . . . 4.53 109.85 179.462 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.48 120.92 24.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.218 -0.926 . . . . 4.35 109.239 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -80.39 -119.38 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -0.895 . . . . 2.48 109.912 -179.676 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 152.65 52.5 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.915 -1.274 . . . . 0.98 109.915 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.75 139.71 57.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -1.038 . . . . 1.7 109.62 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.74 149.53 21.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.218 -0.926 . . . . 0.61 109.654 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -140.18 138.37 35.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.319 -0.863 . . . . 0.58 108.947 179.407 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.95 163.35 12.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.42 109.062 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.9 tp -149.33 134.01 17.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.083 -1.01 . . . . 0.36 110.088 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -84.99 125.59 32.83 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.726 -0.842 . . . . 1.37 108.726 179.376 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.85 111.62 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.584 -0.698 . . . . 0.47 109.41 -179.603 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 32.8 ttt-85 -74.66 156.29 36.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 2.1 109.854 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.76 138.56 4.19 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.17 -1.172 . . . . 0.42 110.17 179.474 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -85.2 -48.41 9.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.383 -1.069 . . . . 2.68 109.41 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.7 -44.17 90.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 2.22 109.332 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.49 -44.11 97.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.326 -0.859 . . . . 2.77 109.271 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.8 -57.49 10.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.645 -0.66 . . . . 0.43 109.606 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -51.11 -38.56 52.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 1.66 109.791 -179.695 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.09 -51.21 67.48 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.315 -0.865 . . . . 0.44 110.24 -179.271 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.93 -42.9 99.05 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.29 109.121 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.63 -42.94 62.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.197 -0.939 . . . . 2.44 109.241 179.649 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.02 -45.56 94.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.367 -0.833 . . . . 1.74 109.844 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.08 -43.18 99.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 0.3 109.228 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.03 -51.3 70.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.22 109.523 179.775 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.94 -37.32 86.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.72 109.732 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.88 -52.44 65.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.889 . . . . 0.27 109.921 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.2 -44.64 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 0.29 109.477 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.3 -35.2 73.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 1.91 109.368 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.8 -51.82 60.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.377 -0.827 . . . . 0.41 109.29 -179.904 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.436 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.57 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 1.56 109.123 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -35.49 69.56 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.594 -0.691 . . . . 1.43 109.529 179.773 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.86 80.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.66 109.711 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.56 -3.37 53.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.18 109.612 -179.783 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -89.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.979 . . . . 1.23 109.328 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.1 99.16 0.76 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.405 -1.478 . . . . 1.54 109.405 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -86.2 -143.42 0.1 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -1.186 . . . . 4.18 109.31 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.91 153.03 4.78 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.144 -0.973 . . . . 5.71 108.975 -179.917 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.59 128.67 31.35 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 120.966 1.11 . . . . 5.61 109.78 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 CA-C-O 117.944 -1.475 . . . . 7.24 109.478 -179.971 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.33 -0.618 . . . . 7.34 109.33 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 321' ' ' LYS . 86.5 mttt 54.12 23.91 4.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 7.17 109.548 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 320' ' ' LYS . 39.9 mttp 60.06 147.8 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.663 -0.648 . . . . 6.44 109.531 179.798 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.7 Cg_endo -57.82 -155.53 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 120.943 1.095 . . . . 4.54 109.822 179.502 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.48 120.89 24.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 4.32 109.274 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -80.48 -119.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 2.47 109.79 -179.561 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 152.59 52.48 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.956 -1.258 . . . . 0.95 109.956 -179.567 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -59.73 139.76 57.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.455 -1.026 . . . . 1.61 109.56 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.71 149.42 21.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.57 109.743 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -140.2 138.27 35.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.306 -0.871 . . . . 0.53 109.038 179.375 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 30.4 p -97.85 163.23 12.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.43 -0.794 . . . . 0.38 109.044 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.2 tp -149.28 134.01 17.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.123 -0.986 . . . . 0.36 110.035 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.63 32.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.36 108.762 179.369 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.86 111.66 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.58 -0.7 . . . . 0.49 109.397 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.411 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 32.9 ttt-85 -74.71 156.29 36.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.475 -0.765 . . . . 2.1 109.758 179.849 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.8 138.62 4.24 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.117 -1.193 . . . . 0.44 110.117 179.411 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.18 -48.56 9.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -1.058 . . . . 2.72 109.403 179.766 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.62 -44.12 89.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 2.21 109.417 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.57 -43.98 97.87 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.222 -0.924 . . . . 2.79 109.262 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -53.91 -57.47 10.83 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.534 -0.729 . . . . 0.45 109.577 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.04 -38.59 52.38 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 1.68 109.88 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.15 -51.11 67.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.2 -0.938 . . . . 0.43 110.2 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.08 -42.88 99.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.28 109.044 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.56 -42.96 62.23 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.934 . . . . 2.52 109.285 179.604 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -61.05 -45.57 94.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.851 . . . . 1.75 109.808 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.03 -43.19 99.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.31 109.286 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -58.12 -51.18 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.251 -0.906 . . . . 1.21 109.526 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.0 -37.31 86.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 1.69 109.719 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.9 -52.34 66.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 0.27 109.942 -179.583 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.24 -44.65 96.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 0.3 109.493 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.33 -35.03 73.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.318 -0.864 . . . . 1.93 109.482 179.897 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -64.91 -51.87 59.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.4 109.229 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -61.5 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.872 . . . . 1.59 109.16 179.77 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -35.61 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.592 -0.692 . . . . 1.43 109.414 179.818 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.74 80.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 0.65 109.696 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -81.65 -3.31 53.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 1.19 109.653 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.99 -89.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 1.22 109.432 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.04 99.19 0.76 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.43 -1.468 . . . . 1.53 109.43 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.21 -143.41 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -1.163 . . . . 4.21 109.31 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.95 153.02 4.86 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.155 -0.965 . . . . 5.68 108.969 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.61 128.64 31.19 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.018 1.145 . . . . 5.57 109.69 179.462 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.555 -1.418 . . . . 7.2 109.555 179.948 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.333 -0.617 . . . . 8.96 109.333 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' C' ' 321' ' ' LYS . 86.7 mttt 54.06 23.95 4.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.306 -0.871 . . . . 8.15 109.554 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' C' ' 320' ' ' LYS . 40.0 mttp 60.02 147.69 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 121.7 -0.625 . . . . 7.15 109.532 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.6 Cg_endo -57.66 -155.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 120.955 1.103 . . . . 4.35 109.796 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.4 120.89 24.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.274 -0.891 . . . . 4.63 109.285 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.38 -119.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 2.85 109.893 -179.674 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.74 152.58 52.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.9 -1.28 . . . . 1.12 109.9 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.67 139.76 56.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.452 -1.028 . . . . 2.11 109.529 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.74 149.46 21.46 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.228 -0.92 . . . . 0.64 109.744 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.18 138.38 35.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.4 -0.812 . . . . 0.49 108.939 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 30.5 p -97.91 163.32 12.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.47 109.054 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.29 134.02 17.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.056 -1.027 . . . . 0.42 110.04 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -85.12 125.67 32.98 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.691 -0.855 . . . . 1.81 108.691 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.89 111.72 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.581 -0.699 . . . . 0.42 109.403 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 32.7 ttt-85 -74.68 156.27 36.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.845 . . . . 2.35 109.782 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.58 4.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.219 -1.152 . . . . 0.41 110.219 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.1 -48.5 9.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.352 -1.087 . . . . 2.59 109.527 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -58.62 -44.15 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 2.54 109.409 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.55 -44.1 97.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.251 -0.906 . . . . 3.39 109.238 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -53.78 -57.48 10.74 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.525 -0.734 . . . . 0.47 109.651 179.915 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -51.16 -38.52 52.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.852 . . . . 1.66 109.778 -179.657 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.05 -51.27 67.36 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.297 -0.877 . . . . 0.61 110.188 -179.3 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.93 -42.95 99.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.101 -1.0 . . . . 0.33 109.067 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.56 -43.0 62.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.153 -0.967 . . . . 3.28 109.208 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -60.93 -45.66 93.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.388 -0.82 . . . . 1.78 109.853 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.91 -43.38 98.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.115 -0.99 . . . . 0.38 109.218 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -57.99 -51.31 70.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.263 -0.898 . . . . 1.2 109.512 179.835 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.96 -37.28 86.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 2.12 109.734 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.9 -52.36 66.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 0.26 109.957 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.3 mt -61.19 -44.71 96.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.119 -0.988 . . . . 0.4 109.485 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.33 -35.07 73.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 2.09 109.353 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.9 -51.85 59.68 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.75 109.247 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.56 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.267 -0.896 . . . . 2.19 109.113 179.831 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -35.49 69.63 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.599 -0.688 . . . . 1.34 109.417 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.81 80.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.72 109.685 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -81.61 -3.39 53.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 1.8 109.611 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.01 -89.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.123 -0.986 . . . . 1.39 109.387 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.09 99.17 0.76 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.428 -1.469 . . . . 1.66 109.428 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.18 -143.45 0.1 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.177 -1.19 . . . . 4.45 109.293 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' C' ' 358' ' ' GLU . 3.7 pt-20 -51.89 153.03 4.75 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.123 -0.986 . . . . 6.19 108.967 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.59 128.61 31.1 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.997 1.131 . . . . 5.58 109.768 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.962 -1.465 . . . . 6.9 109.569 -179.988 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 7.36 109.334 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 321' ' ' LYS . 86.4 mttt 53.99 24.01 4.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.855 . . . . 7.15 109.594 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 320' ' ' LYS . 39.9 mttp 60.01 147.79 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.683 . . . . 6.5 109.512 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' D' ' 321' ' ' LYS . 1.7 Cg_endo -57.77 -155.59 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 120.983 1.122 . . . . 4.5 109.805 179.521 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.45 120.94 24.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 4.32 109.264 179.821 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -80.53 -119.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.256 -0.902 . . . . 2.46 109.824 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 152.63 52.5 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.931 -1.267 . . . . 0.97 109.931 -179.6 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -59.74 139.83 56.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -1.086 . . . . 1.67 109.558 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -95.91 149.53 21.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.251 -0.906 . . . . 0.61 109.669 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -140.19 138.33 35.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.348 -0.845 . . . . 0.56 108.951 179.429 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.91 163.16 12.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.366 -0.834 . . . . 0.43 109.104 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 44.1 tp -149.24 134.0 17.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.143 -0.973 . . . . 0.35 110.059 -179.334 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.65 32.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.759 -0.83 . . . . 1.37 108.759 179.357 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.87 111.65 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.527 -0.733 . . . . 0.48 109.502 -179.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.419 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 32.8 ttt-85 -74.65 156.2 36.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.385 -0.822 . . . . 2.08 109.837 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.84 138.58 4.25 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.14 -1.184 . . . . 0.4 110.14 179.402 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.16 -48.5 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -1.061 . . . . 2.64 109.359 179.8 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.72 -44.12 90.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.22 109.329 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.58 -44.02 97.79 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.325 -0.859 . . . . 2.74 109.215 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.87 -57.49 10.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.545 -0.722 . . . . 0.43 109.597 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.1 -38.47 52.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 1.69 109.872 -179.68 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.13 -51.15 67.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.185 -0.947 . . . . 0.43 110.248 -179.366 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.03 -42.89 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.106 -0.996 . . . . 0.27 109.097 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.57 -42.91 62.22 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.255 -0.903 . . . . 2.45 109.273 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.03 -45.59 94.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.75 109.855 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.01 -43.26 99.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -0.911 . . . . 0.31 109.233 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.05 -51.28 70.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 1.22 109.531 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.97 -37.19 86.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 1.73 109.841 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -52.43 65.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.28 109.96 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.23 -44.63 96.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.31 109.47 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.31 -35.12 73.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.893 . . . . 1.91 109.441 179.888 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.93 -51.73 60.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.43 109.248 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.0 ttmp? -61.64 -43.15 99.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.239 -0.913 . . . . 1.57 109.12 179.765 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -35.51 69.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 1.44 109.474 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.79 80.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 0.64 109.798 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -81.56 -3.3 52.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 1.21 109.662 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -89.79 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 1.22 109.385 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.01 99.2 0.76 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.366 -1.494 . . . . 1.5 109.366 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.27 -143.5 0.1 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -1.166 . . . . 4.18 109.26 -179.829 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.85 153.01 4.7 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 5.67 108.979 -179.855 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.58 128.6 31.05 Favored 'Trans proline' 0 C--N 1.322 -0.846 0 C-N-CA 121.029 1.153 . . . . 5.65 109.776 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 117.991 -1.449 . . . . 7.27 109.57 -179.999 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.348 -0.612 . . . . 7.33 109.348 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.61 -147.72 0.37 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 7.21 109.343 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.54 67.43 3.94 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.882 . . . . 6.47 109.822 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -59.16 -151.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.609 1.54 . . . . 4.53 109.898 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.95 103.75 9.12 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 4.35 109.267 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.68 136.05 35.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 2.48 109.714 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.13 158.08 53.3 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.318 -1.513 . . . . 0.98 109.318 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.62 134.93 57.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -1.164 . . . . 1.7 109.603 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.24 153.93 18.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.25 -0.906 . . . . 0.61 109.39 179.788 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.17 -173.02 3.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.314 -0.866 . . . . 0.58 109.308 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -150.82 153.14 34.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.239 -0.913 . . . . 0.42 108.957 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 30.1 tp -143.9 130.36 19.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.36 109.722 -178.845 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -85.74 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.792 . . . . 1.37 108.967 179.399 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.95 111.79 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.604 0.716 . . . . 0.47 109.391 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.25 121.23 22.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.621 -0.674 . . . . 2.1 109.49 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.29 134.47 4.73 Favored Glycine 0 N--CA 1.501 3.022 0 N-CA-C 110.084 -1.207 . . . . 0.42 110.084 179.512 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.94 -53.84 5.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -1.077 . . . . 2.68 109.117 179.5 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.73 -42.63 79.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 2.22 109.297 -179.897 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.53 -44.63 90.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.4 -0.813 . . . . 2.77 108.897 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.63 -50.27 70.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.595 -0.691 . . . . 0.43 109.66 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.91 -39.87 63.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.66 110.263 -179.438 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.58 -45.54 92.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.13 -0.982 . . . . 0.44 110.472 -179.277 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.61 -45.45 94.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.29 109.564 -179.547 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.53 -39.61 58.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.148 -0.97 . . . . 2.44 109.584 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.61 -53.54 56.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.74 109.865 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -60.39 -38.03 82.67 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.163 -0.96 . . . . 0.3 108.829 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -59.06 -55.16 38.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 1.22 109.624 179.614 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.69 -32.67 74.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.72 109.877 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.31 -52.63 64.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.192 -0.943 . . . . 0.27 110.13 -179.407 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.63 -41.41 97.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 0.29 109.744 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.01 -37.09 76.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.162 -0.961 . . . . 1.91 109.54 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.07 -52.04 61.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.41 109.239 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.1 ttmp? -60.62 -42.36 96.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 1.56 109.045 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.3 -39.17 75.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.577 -0.702 . . . . 1.43 109.715 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.98 66.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.66 109.839 -179.583 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -83.09 -11.68 57.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.998 . . . . 1.18 109.447 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -0.26 9.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 1.23 109.055 179.571 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.5 -72.72 1.29 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.629 -1.389 . . . . 1.54 109.629 -179.814 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.31 106.8 15.37 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.26 -1.141 . . . . 4.18 109.413 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -51.51 153.21 4.01 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.866 . . . . 5.71 109.278 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.11 114.57 1.99 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.093 1.195 . . . . 5.61 109.946 179.367 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 CA-C-O 117.947 -1.474 . . . . 7.24 109.503 179.832 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.372 -0.603 . . . . 7.34 109.372 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 52.3 tttt 62.69 -147.74 0.36 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.236 -0.915 . . . . 7.17 109.372 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.47 67.52 3.88 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.259 -0.9 . . . . 6.44 109.809 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -59.21 -151.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 121.632 1.555 . . . . 4.54 109.951 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.99 103.81 9.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 4.32 109.327 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.67 136.14 35.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.372 -0.83 . . . . 2.47 109.706 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 158.1 53.32 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.36 -1.496 . . . . 0.95 109.36 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.56 134.8 57.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -1.15 . . . . 1.61 109.606 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.16 153.93 18.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.294 -0.879 . . . . 0.57 109.45 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.16 -173.01 3.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.364 -0.835 . . . . 0.53 109.251 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.9 p -150.85 153.17 34.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.3 -0.875 . . . . 0.38 108.929 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.91 130.4 20.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.36 109.63 -178.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.7 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 1.36 108.946 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.99 111.95 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.52 -0.738 . . . . 0.49 109.355 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.3 121.3 22.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.69 . . . . 2.1 109.461 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.12 134.54 4.77 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.08 -1.208 . . . . 0.44 110.08 179.519 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -81.96 -53.9 5.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.409 -1.053 . . . . 2.72 109.08 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.72 -42.63 79.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.245 -0.909 . . . . 2.21 109.299 -179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.54 -44.64 90.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.331 -0.855 . . . . 2.79 108.82 179.447 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.61 -50.3 70.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.562 -0.711 . . . . 0.45 109.639 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.82 -40.02 62.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 1.68 110.241 -179.497 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.49 -45.65 92.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.197 -0.939 . . . . 0.43 110.441 -179.189 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.51 -45.46 94.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.958 . . . . 0.28 109.562 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.46 -39.7 57.98 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.163 -0.961 . . . . 2.52 109.545 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.6 -53.54 56.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 1.75 109.877 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.32 -38.1 82.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.169 -0.957 . . . . 0.31 108.883 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.94 -55.2 38.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.791 . . . . 1.21 109.644 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -63.74 -32.62 74.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 1.69 109.919 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.32 -52.58 65.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 0.27 110.163 -179.442 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.69 -41.3 97.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.3 109.713 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -59.14 -37.01 76.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.93 109.509 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.9 tt -64.1 -52.03 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 0.4 109.254 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.1 ttmp? -60.6 -42.32 96.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.845 . . . . 1.59 109.142 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -57.39 -39.17 75.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.484 -0.76 . . . . 1.43 109.655 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.09 66.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -0.871 . . . . 0.65 109.914 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -82.87 -12.04 57.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 1.19 109.465 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.88 -0.41 9.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 1.22 109.158 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -72.67 1.29 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.7 -1.36 . . . . 1.53 109.7 -179.811 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.26 106.82 15.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.281 -1.129 . . . . 4.21 109.512 -179.551 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -51.48 153.27 3.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.327 -0.858 . . . . 5.68 109.236 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -57.27 114.7 2.05 Favored 'Trans proline' 0 C--N 1.324 -0.734 0 C-N-CA 121.071 1.18 . . . . 5.57 109.857 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.966 -1.463 . . . . 7.2 109.508 179.89 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.352 -0.611 . . . . 8.96 109.352 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.57 -147.76 0.37 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 8.15 109.396 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.62 67.41 3.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 7.15 109.767 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.07 -151.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.614 1.543 . . . . 4.35 109.969 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.97 103.8 9.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.94 . . . . 4.63 109.297 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.71 136.11 35.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.411 -0.806 . . . . 2.85 109.717 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.19 158.11 53.31 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.33 -1.508 . . . . 1.12 109.33 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.66 134.76 57.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -1.209 . . . . 2.11 109.591 -179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -93.26 153.92 18.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.188 -0.945 . . . . 0.64 109.358 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -138.14 -173.0 3.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.369 -0.832 . . . . 0.49 109.242 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -150.79 153.27 35.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.47 108.971 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.98 130.24 19.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.42 109.665 -178.803 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.64 129.8 34.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.403 -0.811 . . . . 1.81 108.977 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.96 111.85 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.484 -0.76 . . . . 0.42 109.37 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.26 121.26 22.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.681 . . . . 2.35 109.506 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.23 134.56 4.76 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 110.097 -1.201 . . . . 0.41 110.097 179.54 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -82.0 -53.86 5.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -1.088 . . . . 2.59 109.08 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.67 -42.76 79.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 2.54 109.253 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.342 -0.849 . . . . 3.39 108.829 179.559 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.62 -50.34 70.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.512 -0.742 . . . . 0.47 109.563 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.93 -39.85 63.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.285 -0.884 . . . . 1.66 110.227 -179.386 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.53 -45.64 92.02 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.136 -0.978 . . . . 0.61 110.464 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.48 -45.54 93.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.16 -0.963 . . . . 0.33 109.559 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.5 -39.62 57.94 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.188 -0.945 . . . . 3.28 109.562 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.64 -53.49 56.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 1.78 109.928 -179.67 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.24 -38.16 82.57 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.116 -0.99 . . . . 0.38 108.87 179.805 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.96 -55.25 37.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.45 -0.781 . . . . 1.2 109.631 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.62 -32.71 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 2.12 109.905 -179.678 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.32 -52.59 65.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 0.26 110.128 -179.373 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.66 -41.43 97.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 0.4 109.694 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.97 -37.12 76.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 2.09 109.552 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.07 -51.94 61.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.75 109.209 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.408 ' NZ ' ' CB ' ' C' ' 351' ' ' LYS . 3.1 ttmp? -60.69 -42.36 97.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 2.19 109.084 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.3 -39.21 75.27 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.538 -0.727 . . . . 1.34 109.701 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -26.99 66.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.72 109.916 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -83.04 -11.75 57.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.123 -0.985 . . . . 1.8 109.48 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.1 -0.41 9.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.94 . . . . 1.39 109.097 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -72.67 1.29 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.652 -1.379 . . . . 1.66 109.652 -179.799 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.24 106.78 15.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.233 -1.157 . . . . 4.45 109.46 -179.46 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -51.5 153.28 3.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.898 . . . . 6.19 109.25 -179.804 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -57.24 114.61 2.01 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.027 1.152 . . . . 5.58 109.949 179.371 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 117.942 -1.477 . . . . 6.9 109.506 179.883 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.399 -0.593 . . . . 7.36 109.399 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.51 -147.73 0.37 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 7.15 109.386 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.57 67.51 3.87 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 6.5 109.742 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -59.14 -151.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.977 0 C-N-CA 121.589 1.526 . . . . 4.5 109.967 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.98 103.82 9.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 4.32 109.286 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.68 136.05 35.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.368 -0.832 . . . . 2.46 109.673 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 158.18 53.3 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.341 -1.504 . . . . 0.97 109.341 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.61 134.84 57.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.177 . . . . 1.67 109.646 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.2 153.84 18.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.232 -0.918 . . . . 0.61 109.417 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.13 -172.95 3.39 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.56 109.269 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -150.82 153.15 34.87 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.252 -0.905 . . . . 0.43 108.957 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.88 130.33 19.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.303 -0.873 . . . . 0.35 109.784 -178.858 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.72 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.398 -0.814 . . . . 1.37 108.971 179.354 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.01 111.86 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.624 0.726 . . . . 0.48 109.332 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.27 121.23 22.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.545 -0.722 . . . . 2.08 109.46 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.18 134.54 4.76 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 110.128 -1.189 . . . . 0.4 110.128 179.515 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.95 -53.83 5.82 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.463 -1.022 . . . . 2.64 109.173 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -56.77 -42.66 79.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 2.22 109.251 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.51 -44.63 90.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.353 -0.842 . . . . 2.74 108.866 179.492 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.55 -50.38 70.19 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.606 -0.684 . . . . 0.43 109.64 179.812 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.89 -39.94 63.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.845 . . . . 1.69 110.253 -179.411 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -62.45 -45.64 92.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.162 -0.961 . . . . 0.43 110.469 -179.278 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.5 -45.52 93.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.27 109.554 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -51.51 -39.66 58.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.116 -0.99 . . . . 2.45 109.473 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.62 -53.49 56.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.615 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.27 -38.24 82.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.31 108.833 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.91 -55.21 38.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.418 -0.801 . . . . 1.22 109.635 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -63.68 -32.67 74.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 1.73 109.927 -179.712 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -52.67 64.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.28 110.179 -179.456 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.68 -41.38 97.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.31 109.719 -179.567 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -58.98 -37.09 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.12 -0.988 . . . . 1.91 109.514 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.15 -51.97 61.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.283 -0.885 . . . . 0.43 109.248 -179.898 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.62 -42.42 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.299 -0.876 . . . . 1.57 109.057 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.21 -39.3 75.19 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.499 -0.751 . . . . 1.44 109.679 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -26.95 66.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 0.64 109.906 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -83.22 -11.54 57.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.206 -0.934 . . . . 1.21 109.362 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.33 -0.29 9.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 1.22 108.972 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 -72.64 1.29 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.685 -1.366 . . . . 1.5 109.685 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.31 106.81 15.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 4.18 109.421 -179.465 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -51.47 153.19 3.96 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 5.67 109.284 -179.858 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.13 114.58 1.99 Allowed 'Trans proline' 0 C--N 1.324 -0.761 0 C-N-CA 121.078 1.185 . . . . 5.65 109.946 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.985 -1.453 . . . . 7.27 109.526 179.844 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' A' ' 321' ' ' LYS . 51.2 mtpt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 7.33 109.181 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.08 -28.58 0.15 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.83 -0.544 . . . . 7.21 110.151 -179.919 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 319' ' ' LYS . 15.3 mtpp 53.82 68.16 3.04 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.091 -1.005 . . . . 6.47 109.538 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.87 12.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.812 1.675 . . . . 4.53 110.307 -179.645 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 321' ' ' LYS . 21.9 mt -80.8 99.58 8.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.854 -1.154 . . . . 4.35 109.579 -179.882 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.29 -143.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.496 -0.752 . . . . 2.48 109.402 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.402 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.63 -173.46 8.29 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.85 -1.3 . . . . 0.98 109.85 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.19 133.34 55.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.345 -1.091 . . . . 1.7 110.036 -179.807 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -95.71 160.31 14.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.302 -0.874 . . . . 0.61 109.244 179.403 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.2 -168.74 2.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.381 -0.824 . . . . 0.58 109.526 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.17 151.69 32.27 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.56 -0.904 . . . . 0.42 108.56 179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -144.82 136.85 25.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.36 109.825 -178.816 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -85.11 130.31 34.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.327 -0.99 . . . . 1.37 108.327 178.794 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.23 111.31 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 CA-C-O 121.669 0.747 . . . . 0.47 109.394 -179.578 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.76 143.12 46.2 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.689 -0.632 . . . . 2.1 109.856 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.12 133.8 7.42 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.205 -1.158 . . . . 0.42 110.205 179.462 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -80.89 -50.4 9.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.466 -1.02 . . . . 2.68 109.599 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.83 -40.81 85.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.949 -1.094 . . . . 2.22 109.071 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.2 -40.54 97.78 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.296 -0.878 . . . . 2.77 109.154 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.47 -55.81 27.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.628 -0.67 . . . . 0.43 109.872 -179.623 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.48 51.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 1.66 109.809 -179.695 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -53.3 54.73 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.235 -0.915 . . . . 0.44 110.172 -179.4 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.25 -44.08 97.83 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.074 -1.016 . . . . 0.29 109.106 -179.663 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.44 -45.46 62.68 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.292 -0.88 . . . . 2.44 109.525 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.81 -44.31 97.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.34 -0.85 . . . . 1.74 109.9 -179.732 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.37 -41.32 96.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.3 109.446 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -58.39 -52.79 64.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.22 109.458 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.98 -33.67 74.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 1.72 109.737 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -52.46 65.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 0.27 109.996 -179.434 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.1 -44.22 97.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.171 -0.955 . . . . 0.29 109.567 -179.739 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.26 -40.1 80.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.289 -0.882 . . . . 1.91 109.347 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.406 HD13 ' OE1' ' B' ' 354' ' ' GLN . 35.0 tp -64.36 -37.75 88.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.149 -0.969 . . . . 0.41 109.157 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -41.18 98.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.904 0.859 . . . . 1.56 108.769 179.518 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.78 -34.77 65.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.621 -0.674 . . . . 1.43 109.504 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -32.57 73.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.66 109.354 179.831 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -82.21 -5.12 58.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.313 -0.867 . . . . 1.18 109.757 -179.95 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.19 -87.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.133 -0.98 . . . . 1.23 109.82 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.89 77.1 0.05 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.815 -1.314 . . . . 1.54 109.815 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 355' ' ' ALA . 15.8 pttm -86.45 60.99 6.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -1.232 . . . . 4.18 109.349 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.404 ' HG2' ' H ' ' A' ' 358' ' ' GLU . 3.3 pt-20 -50.0 155.05 1.68 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 5.71 109.524 -178.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.49 164.08 7.72 Favored 'Trans proline' 0 N--CA 1.48 0.695 0 C-N-CA 121.31 1.34 . . . . 5.61 110.284 179.35 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 CA-C-O 117.959 -1.467 . . . . 7.24 109.51 179.522 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' B' ' 321' ' ' LYS . 51.3 mtpt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.091 -0.707 . . . . 7.34 109.091 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.06 -28.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.785 -0.572 . . . . 7.17 110.105 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' B' ' 319' ' ' LYS . 15.4 mtpp 53.76 68.21 3.01 Favored Pre-proline 0 N--CA 1.488 1.452 0 O-C-N 121.122 -0.987 . . . . 6.44 109.499 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.75 12.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.803 1.669 . . . . 4.54 110.37 -179.759 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' B' ' 321' ' ' LYS . 22.0 mt -80.84 99.66 8.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 4.32 109.564 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.31 -143.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.543 -0.723 . . . . 2.47 109.445 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 -173.41 7.95 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.924 -1.27 . . . . 0.95 109.924 -179.955 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.31 133.36 55.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -1.034 . . . . 1.61 110.076 -179.84 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -95.66 160.38 14.53 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.274 -0.891 . . . . 0.57 109.284 179.391 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -139.15 -168.71 2.5 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.406 -0.809 . . . . 0.53 109.463 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.3 151.55 31.94 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.586 -0.894 . . . . 0.38 108.586 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.75 136.96 26.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.277 -0.889 . . . . 0.36 109.833 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.2 130.29 34.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.357 -0.979 . . . . 1.36 108.357 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.24 111.28 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.697 0.761 . . . . 0.49 109.389 -179.542 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.78 143.17 46.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.123 -0.631 . . . . 2.1 109.894 -179.725 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.14 133.9 7.47 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.193 -1.163 . . . . 0.44 110.193 179.5 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.0 -50.39 9.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.484 -1.009 . . . . 2.72 109.62 179.792 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.74 -40.97 85.36 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.918 -1.114 . . . . 2.21 109.052 179.705 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.6 98.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.29 -0.881 . . . . 2.79 109.163 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -55.52 -55.75 28.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.615 -0.678 . . . . 0.45 109.918 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.81 -37.48 51.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 1.68 109.779 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.33 -53.3 54.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.191 -0.943 . . . . 0.43 110.185 -179.396 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.24 -44.02 97.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.15 -0.969 . . . . 0.28 109.117 -179.661 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.57 -45.38 63.07 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.302 -0.874 . . . . 2.52 109.475 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.83 -44.32 97.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 1.75 109.876 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.44 -41.32 97.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.99 . . . . 0.31 109.387 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -58.34 -52.76 64.24 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.314 -0.866 . . . . 1.21 109.524 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.61 74.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.302 -0.874 . . . . 1.69 109.681 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.36 -52.48 65.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 0.27 109.998 -179.427 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.94 -44.24 97.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.3 109.623 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.3 -40.23 81.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 1.93 109.237 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.17 -37.66 88.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.281 -0.887 . . . . 0.4 109.176 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.75 -41.37 99.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.842 . . . . 1.59 108.799 179.379 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.76 -34.63 65.41 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.642 -0.662 . . . . 1.43 109.507 179.868 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -32.58 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.42 -0.8 . . . . 0.65 109.362 179.865 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.406 ' OE1' HD13 ' A' ' 350' ' ' LEU . 33.0 tt0 -82.23 -5.06 58.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 1.19 109.754 -179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.25 -87.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.215 -0.928 . . . . 1.22 109.824 -179.786 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.92 77.3 0.05 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.802 -1.319 . . . . 1.53 109.802 -179.711 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' B' ' 355' ' ' ALA . 15.8 pttm -86.84 61.19 6.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.143 -1.21 . . . . 4.21 109.259 179.85 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.12 155.06 1.74 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.475 -0.766 . . . . 5.68 109.398 -178.968 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.56 164.07 7.88 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 121.304 1.336 . . . . 5.57 110.328 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.946 -1.474 . . . . 7.2 109.459 179.531 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' C' ' 321' ' ' LYS . 51.2 mtpt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.192 -0.67 . . . . 8.96 109.192 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.04 -28.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.754 -0.591 . . . . 8.15 110.157 -179.919 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' C' ' 319' ' ' LYS . 15.4 mtpp 53.79 68.17 3.03 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.134 -0.979 . . . . 7.15 109.521 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.83 12.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.323 -0.786 0 C-N-CA 121.811 1.674 . . . . 4.35 110.371 -179.699 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' C' ' 321' ' ' LYS . 22.0 mt -80.8 99.53 8.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.868 -1.145 . . . . 4.63 109.59 -179.85 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -82.18 -143.42 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.512 -0.742 . . . . 2.85 109.543 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.64 -173.35 8.19 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.886 -1.286 . . . . 1.12 109.886 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.27 133.39 55.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.076 . . . . 2.11 110.088 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -95.83 160.29 14.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.64 109.303 179.385 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -139.1 -168.8 2.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.398 -0.814 . . . . 0.49 109.458 -179.597 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -151.17 151.62 32.17 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.555 -0.905 . . . . 0.47 108.555 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.73 137.05 26.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.42 109.734 -178.785 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.29 34.63 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 1.81 108.252 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.22 111.32 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 121.617 0.722 . . . . 0.42 109.323 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.402 HH21 ' H ' ' A' ' 325' ' ' GLY . 2.8 tmt_? -73.81 143.16 46.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.685 -0.634 . . . . 2.35 109.837 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.08 134.15 7.55 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 110.184 -1.166 . . . . 0.41 110.184 179.481 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -81.2 -50.39 9.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.507 -0.996 . . . . 2.59 109.605 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.72 -40.91 85.12 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.909 -1.119 . . . . 2.54 109.082 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.16 -40.61 98.03 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.327 -0.858 . . . . 3.39 109.211 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.39 -55.83 27.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.642 -0.661 . . . . 0.47 109.923 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.79 -37.52 51.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -0.897 . . . . 1.66 109.752 -179.687 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.3 -53.38 53.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.142 -0.974 . . . . 0.61 110.136 -179.384 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.2 -44.12 97.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.132 -0.98 . . . . 0.33 109.16 -179.657 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.45 -45.45 62.71 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.354 -0.841 . . . . 3.28 109.503 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.7 -44.52 96.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.78 109.9 -179.776 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.32 -41.35 96.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.141 -0.974 . . . . 0.38 109.385 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.291 -0.881 . . . . 1.2 109.489 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.67 74.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 2.12 109.651 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -52.52 65.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.324 -0.86 . . . . 0.26 109.988 -179.455 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.94 -44.24 97.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.4 109.6 -179.855 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.25 -40.17 81.09 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.323 -0.861 . . . . 2.09 109.297 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -37.74 88.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.75 109.09 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.66 -41.36 99.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.842 . . . . 2.19 108.827 179.357 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.7 -34.72 65.34 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.548 -0.72 . . . . 1.34 109.549 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.56 73.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.314 -0.866 . . . . 0.72 109.393 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -82.15 -5.23 58.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 1.8 109.783 -179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.17 -87.0 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.956 . . . . 1.39 109.845 -179.734 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.93 77.05 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.86 -1.296 . . . . 1.66 109.86 -179.68 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' C' ' 355' ' ' ALA . 15.7 pttm -86.49 61.03 6.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.1 -1.235 . . . . 4.45 109.263 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.07 155.08 1.71 Allowed Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 6.19 109.484 -178.992 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -57.44 164.18 7.48 Favored 'Trans proline' 0 N--CA 1.48 0.703 0 C-N-CA 121.291 1.328 . . . . 5.58 110.36 179.311 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.948 -1.473 . . . . 6.9 109.497 179.53 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' D' ' 321' ' ' LYS . 51.1 mtpt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.156 -0.683 . . . . 7.36 109.156 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.09 -28.65 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.811 -0.556 . . . . 7.15 110.128 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' D' ' 319' ' ' LYS . 15.4 mtpp 53.79 68.18 3.02 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.231 -0.918 . . . . 6.5 109.507 -179.809 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.84 12.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 121.789 1.66 . . . . 4.5 110.397 -179.674 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' D' ' 321' ' ' LYS . 21.8 mt -80.76 99.56 8.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.904 -1.122 . . . . 4.32 109.628 -179.886 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.29 -143.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.499 -0.751 . . . . 2.46 109.463 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 -173.34 8.17 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.835 -1.306 . . . . 0.97 109.835 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.34 133.45 55.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -1.087 . . . . 1.67 110.023 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -95.73 160.33 14.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.307 -0.87 . . . . 0.61 109.296 179.406 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.21 -168.79 2.52 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.375 -0.828 . . . . 0.56 109.508 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.2 p -151.27 151.45 31.84 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.555 -0.906 . . . . 0.43 108.555 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.61 137.02 26.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.298 -0.876 . . . . 0.35 109.828 -178.743 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.28 34.63 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.331 -0.989 . . . . 1.37 108.331 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.636 0.731 . . . . 0.48 109.312 -179.527 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.91 143.22 45.86 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.691 -0.63 . . . . 2.08 109.802 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.15 133.95 7.49 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.173 -1.171 . . . . 0.4 110.173 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.08 -50.33 9.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -1.053 . . . . 2.64 109.594 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.79 -40.9 85.39 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.87 -1.143 . . . . 2.22 109.073 179.691 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.63 98.2 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.306 -0.872 . . . . 2.74 109.221 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.42 -55.8 27.54 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.683 -0.636 . . . . 0.43 109.928 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.52 51.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.325 -0.859 . . . . 1.69 109.758 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.33 -53.26 55.46 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.146 -0.971 . . . . 0.43 110.183 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.35 -43.96 97.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.27 109.105 -179.655 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.54 -45.46 62.99 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.36 -0.837 . . . . 2.45 109.483 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.7 -44.43 96.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 1.75 109.914 -179.761 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.4 -41.3 96.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.112 -0.993 . . . . 0.31 109.406 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.34 -52.8 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.266 -0.897 . . . . 1.22 109.487 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.15 -33.56 74.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 1.73 109.711 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.42 -52.36 65.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.28 109.999 -179.446 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.13 -44.13 97.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.217 -0.927 . . . . 0.31 109.532 -179.774 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.32 -40.16 81.33 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.274 -0.891 . . . . 1.91 109.276 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.35 -37.7 88.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.43 109.163 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.6 -41.4 98.95 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.957 0.884 . . . . 1.57 108.785 179.429 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.67 -34.8 65.33 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.559 -0.713 . . . . 1.44 109.483 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.55 73.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.349 -0.845 . . . . 0.64 109.324 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -82.18 -5.14 58.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.846 . . . . 1.21 109.771 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.1 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.186 -0.946 . . . . 1.22 109.828 -179.831 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.79 77.02 0.05 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.839 -1.304 . . . . 1.5 109.839 -179.648 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' D' ' 355' ' ' ALA . 15.7 pttm -86.53 61.04 6.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -1.194 . . . . 4.18 109.285 179.864 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.06 155.07 1.71 Allowed Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.807 . . . . 5.67 109.539 -179.003 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -57.52 164.18 7.64 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.363 1.375 . . . . 5.65 110.279 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.946 -1.475 . . . . 7.27 109.452 179.607 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.275 0.56 . . . . 7.33 109.538 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 53.57 50.57 16.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 7.21 109.613 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 323' ' ' LEU . 66.6 mttm 51.73 78.75 0.38 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 6.47 109.553 179.684 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.03 7.79 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.332 1.355 . . . . 4.53 110.49 -179.498 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 321' ' ' LYS . 10.1 mt -80.49 14.0 2.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.137 -0.977 . . . . 4.35 109.031 179.605 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.33 -112.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.579 -0.701 . . . . 2.48 110.067 -179.476 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 136.17 29.18 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.154 -1.179 . . . . 0.98 110.154 -179.396 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 143.05 58.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.749 -0.854 . . . . 1.7 109.802 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.47 152.26 18.57 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.254 -0.904 . . . . 0.61 109.178 179.437 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.86 -175.16 3.87 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.884 . . . . 0.58 109.416 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -150.79 149.52 29.84 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.219 -0.926 . . . . 0.42 108.712 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.53 133.16 25.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.243 -0.911 . . . . 0.36 109.78 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.46 128.5 34.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.455 -0.778 . . . . 1.37 108.93 179.402 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.92 112.42 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.508 -0.745 . . . . 0.47 109.125 -179.772 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -75.72 151.3 37.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 2.1 109.651 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.57 9.67 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.115 -1.194 . . . . 0.42 110.115 179.523 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -83.14 -56.54 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.43 -1.041 . . . . 2.68 109.56 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -57.91 -38.18 75.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.22 109.493 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.32 -44.1 97.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.21 -0.932 . . . . 2.77 109.067 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.22 -53.78 53.13 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.595 -0.691 . . . . 0.43 109.551 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.78 56.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.431 -0.793 . . . . 1.66 110.063 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.13 -49.16 76.98 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.199 -0.938 . . . . 0.44 110.167 -179.428 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.18 -45.41 94.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 0.29 109.17 -179.835 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.2 -42.22 60.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 2.44 109.365 179.757 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.69 -50.25 74.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.74 109.652 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.97 -40.78 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 0.3 108.633 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.12 -54.32 48.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.539 -0.726 . . . . 1.22 109.649 179.676 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -61.68 -34.57 75.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.383 -0.823 . . . . 1.72 109.439 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.16 -51.67 68.75 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.356 -0.84 . . . . 0.27 109.639 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.45 -47.24 86.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -0.989 . . . . 0.29 108.957 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.22 -25.69 61.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 1.91 108.609 179.474 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -64.89 -58.2 6.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.463 -0.939 . . . . 0.41 108.463 179.624 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.91 89.53 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.864 0.84 . . . . 1.56 108.779 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.75 -33.45 70.28 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.376 0.608 . . . . 1.43 109.533 179.391 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.19 88.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.207 -0.933 . . . . 0.66 109.763 -179.673 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.37 -8.98 59.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.199 -0.938 . . . . 1.18 109.52 -179.926 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.74 -2.22 16.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 1.23 109.357 179.782 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 -58.63 2.05 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.66 -1.376 . . . . 1.54 109.66 -179.847 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.82 106.25 16.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.223 -1.163 . . . . 4.18 109.622 -179.636 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 1.2 mt-10 -56.9 -45.38 99.96 Favored Pre-proline 0 N--CA 1.488 1.447 0 O-C-N 121.194 -0.941 . . . . 5.71 110.43 179.54 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 358' ' ' GLU . 1.9 Cg_endo -66.24 7.53 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 N-CA-C 109.756 -0.902 . . . . 5.61 109.756 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.949 -1.473 . . . . 7.24 109.623 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.25 0.548 . . . . 7.34 109.533 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 53.59 50.59 16.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 7.17 109.595 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' B' ' 323' ' ' LEU . 66.6 mttm 51.75 78.75 0.38 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 6.44 109.561 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.05 7.75 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.302 1.335 . . . . 4.54 110.471 -179.421 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' B' ' 321' ' ' LYS . 10.2 mt -80.45 13.94 2.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 4.32 108.988 179.701 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.36 -112.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.643 -0.66 . . . . 2.47 110.071 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 136.18 29.32 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.113 -1.195 . . . . 0.95 110.113 -179.381 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.75 143.02 58.18 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.612 -0.934 . . . . 1.61 109.769 179.74 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.53 152.3 18.55 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.289 -0.882 . . . . 0.57 109.164 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.8 -175.14 3.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.329 -0.857 . . . . 0.53 109.434 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -150.78 149.4 29.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.28 -0.888 . . . . 0.38 108.791 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.6 tp -142.39 133.37 25.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.36 109.831 -178.66 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.58 128.44 34.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.385 -0.822 . . . . 1.36 108.934 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.89 112.38 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.763 . . . . 0.49 109.143 -179.754 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.75 151.37 37.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.403 -0.811 . . . . 2.1 109.637 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.61 139.54 9.61 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.091 -1.203 . . . . 0.44 110.091 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.14 -56.59 3.7 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.472 -1.016 . . . . 2.72 109.46 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.95 -38.19 75.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 2.21 109.466 -179.898 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.1 97.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.233 -0.917 . . . . 2.79 109.029 179.795 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -56.21 -53.7 54.01 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.577 -0.702 . . . . 0.45 109.681 179.881 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.74 -38.8 56.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.322 -0.861 . . . . 1.68 110.0 -179.733 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.17 -49.17 76.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.168 -0.958 . . . . 0.43 110.147 -179.443 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.11 -45.38 94.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 0.28 109.226 -179.873 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.29 60.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 2.52 109.281 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.53 -50.29 74.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.297 -0.877 . . . . 1.75 109.656 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -40.78 94.73 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.638 -0.875 . . . . 0.31 108.638 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.21 -54.27 48.81 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.468 -0.77 . . . . 1.21 109.62 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.65 -34.74 76.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 1.69 109.378 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.06 -51.63 68.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.403 -0.811 . . . . 0.27 109.665 -179.913 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.47 -47.0 87.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 0.3 109.001 179.567 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -25.56 62.58 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.608 -0.886 . . . . 1.93 108.608 179.532 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -64.9 -58.25 6.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.47 -0.937 . . . . 0.4 108.47 179.562 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.94 89.63 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.806 -0.813 . . . . 1.59 108.806 -179.675 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.77 -33.45 70.31 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 109.476 -0.565 . . . . 1.43 109.476 179.371 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.2 88.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.863 . . . . 0.65 109.807 -179.682 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.41 -8.97 59.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 1.19 109.49 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -2.33 16.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 1.22 109.388 179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 -58.48 2.07 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.776 -1.33 . . . . 1.53 109.776 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.89 106.21 16.24 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -1.118 . . . . 4.21 109.673 -179.755 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' B' ' 359' ' ' PRO . 1.2 mt-10 -56.82 -45.44 99.95 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.167 -0.958 . . . . 5.68 110.447 179.513 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' B' ' 358' ' ' GLU . 1.8 Cg_endo -66.16 7.45 0.37 Allowed 'Trans proline' 0 CA--C 1.537 0.637 0 N-CA-C 109.81 -0.881 . . . . 5.57 109.81 -179.861 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.989 -1.45 . . . . 7.2 109.602 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.525 -0.546 . . . . 8.96 109.525 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 56.7 mttp 53.62 50.58 16.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 8.15 109.589 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' C' ' 323' ' ' LEU . 66.6 mttm 51.67 78.82 0.38 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 7.15 109.564 179.714 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.09 7.8 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.317 1.344 . . . . 4.35 110.497 -179.491 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' C' ' 321' ' ' LYS . 10.2 mt -80.51 14.0 2.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.087 -1.008 . . . . 4.63 108.936 179.671 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.36 -112.77 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.636 -0.665 . . . . 2.85 110.064 -179.501 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 136.1 29.18 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.191 -1.163 . . . . 1.12 110.191 -179.363 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.65 143.04 58.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.678 -0.895 . . . . 2.11 109.802 179.764 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.56 152.12 18.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.248 -0.908 . . . . 0.64 109.193 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.66 -175.06 3.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.354 -0.841 . . . . 0.49 109.395 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.73 149.46 29.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.243 -0.91 . . . . 0.47 108.742 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.0 tp -142.5 133.33 25.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.22 -0.925 . . . . 0.42 109.772 -178.726 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.58 128.49 34.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 1.81 108.954 179.38 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.96 112.42 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.579 -0.7 . . . . 0.42 109.115 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.372 -0.83 . . . . 2.35 109.57 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.54 9.6 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.148 -1.181 . . . . 0.41 110.148 179.558 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -83.09 -56.52 3.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.458 -1.024 . . . . 2.59 109.602 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -58.0 -38.21 75.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 2.54 109.442 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.01 97.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.265 -0.897 . . . . 3.39 109.118 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.3 -53.69 54.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.527 -0.733 . . . . 0.47 109.561 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.82 56.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 1.66 110.059 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.2 -49.19 76.76 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.61 110.081 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.11 -45.29 95.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.142 -0.974 . . . . 0.33 109.323 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.3 -42.16 60.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.22 -0.925 . . . . 3.28 109.367 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.74 -50.14 75.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 1.78 109.655 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.04 -40.72 94.71 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.19 -0.944 . . . . 0.38 108.636 179.652 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.26 -54.2 49.53 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.505 -0.747 . . . . 1.2 109.659 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.63 -34.78 76.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 2.12 109.408 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.01 -51.66 68.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.317 -0.865 . . . . 0.26 109.621 -179.881 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.51 -46.9 88.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.4 109.044 179.646 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.57 -25.59 62.7 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.542 -0.911 . . . . 2.09 108.542 179.524 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -64.86 -58.26 6.66 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.43 -0.952 . . . . 0.75 108.43 179.636 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.64 -40.96 89.39 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.852 0.834 . . . . 2.19 108.81 -179.669 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.76 -33.43 70.27 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.805 -0.559 . . . . 1.34 109.517 179.421 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.13 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.72 109.781 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.46 -8.89 59.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.8 109.494 -179.89 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.27 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 1.39 109.319 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 -58.62 2.05 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.702 -1.359 . . . . 1.66 109.702 -179.88 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.81 106.2 16.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.229 -1.159 . . . . 4.45 109.65 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' C' ' 359' ' ' PRO . 1.2 mt-10 -56.87 -45.46 99.95 Favored Pre-proline 0 N--CA 1.488 1.429 0 O-C-N 121.254 -0.904 . . . . 6.19 110.383 179.55 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' C' ' 358' ' ' GLU . 1.9 Cg_endo -66.23 7.6 0.36 Allowed 'Trans proline' 0 C--O 1.214 -0.683 0 N-CA-C 109.838 -0.87 . . . . 5.58 109.838 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.403 0 CA-C-O 118.04 -1.422 . . . . 6.9 109.685 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.303 0.573 . . . . 7.36 109.523 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 53.58 50.55 16.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -0.88 . . . . 7.15 109.621 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' D' ' 323' ' ' LEU . 66.6 mttm 51.65 78.85 0.38 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 6.5 109.535 179.752 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.08 7.76 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.921 0 C-N-CA 121.364 1.376 . . . . 4.5 110.426 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' D' ' 321' ' ' LYS . 10.2 mt -80.47 14.07 2.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.047 -1.033 . . . . 4.32 108.999 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.35 -112.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.677 -0.64 . . . . 2.46 110.067 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 136.2 29.51 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.182 -1.167 . . . . 0.97 110.182 -179.442 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -63.83 143.11 58.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.672 -0.899 . . . . 1.67 109.746 179.785 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -95.67 152.31 18.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 0.61 109.119 179.487 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.76 -175.13 3.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.275 -0.891 . . . . 0.56 109.404 -179.866 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.8 149.45 29.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 0.43 108.755 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.41 133.36 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -0.864 . . . . 0.35 109.8 -178.654 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.57 128.39 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.932 -0.766 . . . . 1.37 108.932 179.372 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.84 112.36 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.577 -0.702 . . . . 0.48 109.159 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.76 151.38 37.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 2.08 109.575 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.58 9.62 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.143 -1.183 . . . . 0.4 110.143 179.56 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.17 -56.55 3.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.483 -1.01 . . . . 2.64 109.541 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.94 -38.24 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 2.22 109.516 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.31 -44.03 97.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.291 -0.881 . . . . 2.74 109.059 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.24 -53.74 53.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.602 -0.686 . . . . 0.43 109.626 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.69 -38.84 56.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 1.69 110.007 -179.692 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.15 -49.18 76.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.147 -0.971 . . . . 0.43 110.124 -179.408 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.18 -45.29 95.21 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.207 -0.933 . . . . 0.27 109.237 -179.871 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.24 -42.28 60.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 2.45 109.343 179.69 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.66 -50.26 74.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.89 . . . . 1.75 109.572 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.89 -40.81 94.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.977 . . . . 0.31 108.693 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.19 -54.31 48.41 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.497 -0.752 . . . . 1.22 109.667 179.651 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.64 -34.55 75.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 1.73 109.404 -179.918 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.14 -51.67 68.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.896 . . . . 0.28 109.625 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.5 -47.29 86.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.146 -0.971 . . . . 0.31 108.911 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.19 -25.66 61.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.645 -0.872 . . . . 1.91 108.645 179.49 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -64.95 -58.18 6.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.469 -0.938 . . . . 0.43 108.469 179.608 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.67 -40.98 89.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.866 0.841 . . . . 1.57 108.732 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.7 -33.35 70.09 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.323 0.582 . . . . 1.44 109.537 179.408 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.64 109.694 -179.617 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -82.28 -9.09 59.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 1.21 109.535 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.54 -2.4 16.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.918 . . . . 1.22 109.406 179.76 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 -58.63 2.05 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.667 -1.373 . . . . 1.5 109.667 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.84 106.22 16.2 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.244 -1.151 . . . . 4.18 109.693 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' D' ' 359' ' ' PRO . 1.2 mt-10 -56.84 -45.38 99.96 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.228 -0.92 . . . . 5.67 110.463 179.544 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -66.3 7.62 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 109.746 -0.906 . . . . 5.65 109.746 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.989 -1.451 . . . . 7.27 109.693 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.47 -0.567 . . . . 7.33 109.47 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 319' ' ' LYS . 79.8 mttt 57.11 162.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 7.21 109.582 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 322' ' ' PRO . 81.8 tttt 55.96 73.9 0.78 Allowed Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 6.47 109.558 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.6 Cg_exo -58.29 -141.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.588 1.526 . . . . 4.53 110.012 -179.758 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.95 135.94 41.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.725 -1.235 . . . . 4.35 109.3 -179.589 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.41 12.97 2.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.327 -0.858 . . . . 2.48 109.907 -179.442 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.71 138.16 35.21 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.364 -1.495 . . . . 0.98 109.364 -179.819 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.31 128.05 34.47 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.563 -0.963 . . . . 1.7 109.707 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -93.44 157.29 16.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.61 109.246 179.742 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.49 -170.61 2.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.284 -0.885 . . . . 0.58 109.695 -179.602 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.49 149.59 31.01 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.534 -0.913 . . . . 0.42 108.534 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.26 135.8 29.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.28 -0.888 . . . . 0.36 109.628 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.34 131.37 34.41 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.58 -0.896 . . . . 1.37 108.58 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.39 112.35 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.497 -0.752 . . . . 0.47 109.533 -179.462 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -74.99 138.78 42.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.635 -0.666 . . . . 2.1 109.314 179.524 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.04 135.22 8.82 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.716 -1.354 . . . . 0.42 109.716 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.04 -45.76 11.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.308 -1.113 . . . . 2.68 109.536 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.74 -42.72 93.82 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.18 -0.95 . . . . 2.22 109.656 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.492 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -66.46 -37.36 84.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.154 -0.966 . . . . 2.77 109.662 -179.751 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.88 -52.36 60.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.437 -0.789 . . . . 0.43 109.445 -179.846 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.77 -35.61 63.97 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.392 -0.817 . . . . 1.66 109.575 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.28 -53.17 53.11 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 0.44 110.515 -179.341 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.057 -1.027 . . . . 0.29 109.046 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.12 -45.87 61.71 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.286 -0.884 . . . . 2.44 109.408 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.48 -45.88 92.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 1.74 109.713 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.1 -42.46 98.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.895 . . . . 0.3 109.267 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.65 -50.83 72.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 1.22 109.41 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.49 -35.93 82.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.72 109.711 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.74 -56.11 26.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.27 109.973 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.93 -42.3 97.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.96 . . . . 0.29 109.371 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.56 -36.25 78.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 1.91 109.258 179.493 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.65 -49.89 71.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.854 . . . . 0.41 109.103 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -63.54 -49.13 74.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.377 -0.827 . . . . 1.56 108.852 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.14 -35.04 70.94 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.713 -0.617 . . . . 1.43 109.346 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.79 66.25 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.66 109.198 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -83.76 -15.5 48.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 1.18 109.22 179.797 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.7 -13.52 60.99 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.336 -0.852 . . . . 1.23 109.313 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -13.41 70.09 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.374 -1.49 . . . . 1.54 109.374 179.882 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.41 129.07 35.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.332 -1.099 . . . . 4.18 109.15 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 360' ' ' GLY . 53.1 mt-10 -51.04 149.14 6.91 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 5.71 109.09 -179.763 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.65 3.64 0.26 Allowed 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 120.904 1.069 . . . . 5.61 110.099 179.425 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.486 -1.446 . . . . 7.24 109.486 -179.983 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.501 -0.555 . . . . 7.34 109.501 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 319' ' ' LYS . 79.8 mttt 57.03 162.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.866 . . . . 7.17 109.592 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 322' ' ' PRO . 81.9 tttt 55.93 73.97 0.77 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 6.44 109.535 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' B' ' 321' ' ' LYS . 5.2 Cg_exo -58.25 -141.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.662 1.574 . . . . 4.54 110.027 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 31.7 mt -74.84 136.05 41.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.749 -1.22 . . . . 4.32 109.337 -179.688 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.49 12.63 2.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.372 -0.83 . . . . 2.47 109.902 -179.504 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.05 138.07 36.63 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.458 -1.457 . . . . 0.95 109.458 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.38 128.04 34.4 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.568 -0.96 . . . . 1.61 109.792 -179.908 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -93.44 157.24 16.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.57 109.344 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.47 -170.64 2.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.873 . . . . 0.53 109.715 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.57 149.47 30.75 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.5 -0.926 . . . . 0.38 108.5 -179.979 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -142.17 135.86 29.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.36 109.695 -178.633 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.36 131.45 34.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.522 -0.918 . . . . 1.36 108.522 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 112.24 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.389 -0.819 . . . . 0.49 109.563 -179.477 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.02 138.75 42.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.657 -0.652 . . . . 2.1 109.354 179.532 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.16 8.8 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.13 -45.54 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.276 -1.132 . . . . 2.72 109.597 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.89 -42.7 94.38 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.204 -0.935 . . . . 2.21 109.587 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.2 ttm-85 -66.41 -37.35 85.02 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.203 -0.935 . . . . 2.79 109.696 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -53.87 -52.4 60.58 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.45 109.497 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.71 -35.61 63.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.86 . . . . 1.68 109.619 179.932 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.24 -53.18 53.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.43 110.488 -179.35 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.21 -43.36 96.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.041 -1.037 . . . . 0.28 108.989 -179.652 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.17 -45.93 61.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 2.52 109.355 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.47 -45.78 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -0.913 . . . . 1.75 109.782 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.09 -42.47 98.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.31 109.243 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.66 -50.88 72.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.213 -0.929 . . . . 1.21 109.439 179.872 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.41 -35.98 82.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.356 -0.84 . . . . 1.69 109.725 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -56.01 27.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 0.27 109.973 -179.574 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.13 -42.17 98.05 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -0.946 . . . . 0.3 109.304 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.63 -36.2 78.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.239 -0.913 . . . . 1.93 109.255 179.497 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.71 -49.87 71.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.34 -0.85 . . . . 0.4 109.107 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.58 -49.04 74.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.359 -0.838 . . . . 1.59 108.851 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.25 -35.03 71.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.646 -0.659 . . . . 1.43 109.299 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -24.72 66.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.65 109.185 179.879 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -83.69 -15.5 48.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 1.19 109.302 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -13.42 60.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 1.22 109.332 179.874 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -13.44 70.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.357 -1.497 . . . . 1.53 109.357 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.48 129.09 35.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.258 -1.142 . . . . 4.21 109.144 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 360' ' ' GLY . 53.1 mt-10 -50.98 149.12 6.76 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.191 -0.943 . . . . 5.68 109.085 -179.748 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -60.69 3.69 0.26 Allowed 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 121.003 1.136 . . . . 5.57 109.989 179.435 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.004 -1.442 . . . . 7.2 109.558 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' C' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.497 -0.557 . . . . 8.96 109.497 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' C' ' 319' ' ' LYS . 79.7 mttt 57.09 162.66 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.445 -0.784 . . . . 8.15 109.605 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' C' ' 322' ' ' PRO . 81.9 tttt 55.86 74.0 0.77 Allowed Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.271 -0.893 . . . . 7.15 109.6 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' C' ' 321' ' ' LYS . 5.2 Cg_exo -58.22 -141.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.614 1.542 . . . . 4.35 110.017 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.83 136.02 41.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.744 -1.222 . . . . 4.63 109.277 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.56 12.88 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.411 -0.806 . . . . 2.85 109.857 -179.482 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.39 138.22 36.01 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.42 -1.472 . . . . 1.12 109.42 -179.946 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.44 128.02 34.28 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.463 -1.022 . . . . 2.11 109.656 -179.798 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 157.3 16.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.256 -0.903 . . . . 0.64 109.292 179.692 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.43 -170.6 2.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.27 -0.894 . . . . 0.49 109.651 -179.501 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -149.59 149.6 30.94 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.472 -0.936 . . . . 0.47 108.472 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.24 135.73 29.14 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.231 -0.918 . . . . 0.42 109.7 -178.599 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.24 131.45 34.42 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.588 -0.893 . . . . 1.81 108.588 179.157 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.45 112.29 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 121.635 0.731 . . . . 0.42 109.548 -179.456 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.05 138.84 42.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.65 -0.656 . . . . 2.35 109.338 179.559 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.07 135.21 8.82 Favored Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.673 -1.371 . . . . 0.41 109.673 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -85.13 -45.61 11.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.361 -1.082 . . . . 2.59 109.527 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.83 -42.7 94.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 2.54 109.611 -179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.2 ttm-85 -66.53 -37.27 84.65 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.196 -0.94 . . . . 3.39 109.687 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -53.83 -52.48 60.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.359 -0.838 . . . . 0.47 109.399 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.83 -35.5 64.01 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.332 -0.855 . . . . 1.66 109.605 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.31 -53.14 53.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.294 -0.879 . . . . 0.61 110.457 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.15 -43.41 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.989 -1.069 . . . . 0.33 109.069 -179.739 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.1 -45.97 61.7 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.325 -0.86 . . . . 3.28 109.349 179.696 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.5 -45.77 92.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 1.78 109.719 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.17 -42.46 98.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.132 -0.98 . . . . 0.38 109.227 -179.896 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.6 -50.88 72.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.225 -0.922 . . . . 1.2 109.476 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.44 -35.97 82.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.12 109.728 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.8 -55.91 29.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.26 110.027 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.17 -42.13 98.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 0.4 109.354 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.73 -36.13 78.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.227 -0.921 . . . . 2.09 109.231 179.522 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.73 -49.9 71.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.75 109.072 179.844 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.48 -49.1 74.93 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 2.19 108.866 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.18 -35.1 71.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.638 -0.664 . . . . 1.34 109.262 179.767 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -24.75 66.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.851 . . . . 0.72 109.194 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -83.71 -15.48 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 1.8 109.32 179.72 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.46 60.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 1.39 109.383 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 -13.42 70.06 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.359 -1.496 . . . . 1.66 109.359 179.868 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.42 129.06 35.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.275 -1.132 . . . . 4.45 109.134 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' C' ' 360' ' ' GLY . 53.1 mt-10 -51.0 149.12 6.81 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.122 -0.986 . . . . 6.19 109.014 -179.777 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.61 3.56 0.27 Allowed 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 120.954 1.103 . . . . 5.58 110.055 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.902 -1.499 . . . . 6.9 109.588 -179.874 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' D' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.449 -0.574 . . . . 7.36 109.449 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' D' ' 319' ' ' LYS . 79.7 mttt 57.1 162.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -0.845 . . . . 7.15 109.646 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' D' ' 322' ' ' PRO . 81.9 tttt 55.94 73.95 0.77 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 6.5 109.529 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' D' ' 321' ' ' LYS . 5.3 Cg_exo -58.24 -141.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.593 1.529 . . . . 4.5 110.041 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 32.3 mt -74.91 135.97 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.781 -1.2 . . . . 4.32 109.245 -179.581 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.42 12.86 2.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 2.46 109.932 -179.556 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.47 138.14 35.75 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.345 -1.502 . . . . 0.97 109.345 -179.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.32 128.02 34.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.548 -0.972 . . . . 1.67 109.7 -179.863 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -93.45 157.34 16.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.175 -0.953 . . . . 0.61 109.238 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.53 -170.56 2.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.56 109.69 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -149.56 149.49 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.488 -0.93 . . . . 0.43 108.488 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.23 135.8 29.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.296 -0.877 . . . . 0.35 109.699 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.28 131.46 34.41 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.593 -0.892 . . . . 1.37 108.593 179.161 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.47 112.42 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.416 -0.803 . . . . 0.48 109.481 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.11 138.66 42.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.371 -0.603 . . . . 2.08 109.371 179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.16 135.14 8.79 Favored Glycine 0 N--CA 1.498 2.812 0 N-CA-C 109.685 -1.366 . . . . 0.4 109.685 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.06 -45.61 11.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.341 -1.093 . . . . 2.64 109.567 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.81 -42.86 94.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 2.22 109.522 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.1 ttm-85 -66.27 -37.41 85.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 2.74 109.688 -179.773 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -53.88 -52.43 60.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.43 109.474 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.78 -35.46 63.85 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.33 -0.856 . . . . 1.69 109.665 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.43 -53.02 54.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.361 -0.837 . . . . 0.43 110.482 -179.338 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.22 -43.44 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.27 109.067 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.04 -45.91 61.46 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 2.45 109.408 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.53 -45.81 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 1.75 109.716 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.09 -42.52 98.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.936 . . . . 0.31 109.23 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -58.63 -50.93 72.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.301 -0.875 . . . . 1.22 109.387 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.43 -35.98 82.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.311 -0.868 . . . . 1.73 109.754 -179.862 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.62 -56.02 27.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.28 110.035 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.23 -42.11 98.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.165 -0.959 . . . . 0.31 109.289 -179.719 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.75 -36.1 78.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.215 -0.928 . . . . 1.91 109.203 179.556 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.74 -49.75 71.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.43 109.106 179.875 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -63.55 -49.15 74.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.45 -0.781 . . . . 1.57 108.921 179.605 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.1 -35.17 71.04 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.634 -0.666 . . . . 1.44 109.285 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -24.79 66.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.337 -0.852 . . . . 0.64 109.23 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -83.74 -15.48 48.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.864 . . . . 1.21 109.253 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -13.42 60.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.22 109.324 179.839 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.72 -13.38 69.99 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.383 -1.487 . . . . 1.5 109.383 179.873 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.46 129.08 35.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -1.146 . . . . 4.18 109.135 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' D' ' 360' ' ' GLY . 53.1 mt-10 -51.03 149.16 6.84 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 5.67 109.029 -179.761 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.66 3.56 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.017 1.145 . . . . 5.65 110.042 179.421 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.995 -1.447 . . . . 7.27 109.495 -179.914 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.328 0.585 . . . . 7.33 109.52 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.43 92.44 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -0.923 . . . . 7.21 109.419 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.74 69.89 1.74 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 6.47 110.162 179.39 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.29 -148.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 121.38 1.387 . . . . 4.53 109.322 179.69 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.6 mm? -77.6 99.74 5.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.968 -1.083 . . . . 4.35 109.08 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -83.46 -117.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.671 -0.643 . . . . 2.48 109.811 -179.713 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.56 50.26 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.684 -1.366 . . . . 0.98 109.684 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.86 134.27 56.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -1.099 . . . . 1.7 109.767 -179.894 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.48 157.6 15.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.237 -0.914 . . . . 0.61 109.312 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.08 -171.79 3.03 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.297 -0.877 . . . . 0.58 109.355 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.17 28.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.184 -0.947 . . . . 0.42 108.75 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.6 tp -141.43 135.22 30.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.308 -0.87 . . . . 0.36 109.574 -178.761 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.68 131.42 34.34 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.702 -0.851 . . . . 1.37 108.702 179.203 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.5 115.94 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.489 -0.757 . . . . 0.47 109.427 -179.525 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.05 151.44 38.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.546 -0.721 . . . . 2.1 109.698 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 136.93 3.94 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.273 -1.131 . . . . 0.42 110.273 179.347 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.46 -48.43 11.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 2.68 109.434 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.36 -40.09 85.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.27 -0.894 . . . . 2.22 109.496 179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.49 -40.65 97.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.27 -0.893 . . . . 2.77 109.398 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.29 -54.62 41.24 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.611 -0.68 . . . . 0.43 110.03 -179.78 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.72 -38.31 54.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 1.66 110.048 -179.685 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.46 -50.45 71.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.201 -0.937 . . . . 0.44 110.125 -179.272 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.12 -45.66 93.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.133 -0.98 . . . . 0.29 109.173 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.43 -40.78 60.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.193 -0.942 . . . . 2.44 109.467 179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.69 -53.67 54.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.74 109.881 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.15 -38.37 82.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.21 -0.931 . . . . 0.3 108.593 179.84 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.23 -55.0 40.49 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 1.22 109.524 179.576 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.35 -31.84 73.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 1.72 109.846 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.31 -51.01 71.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.305 -0.872 . . . . 0.27 109.911 -179.561 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.76 -43.28 99.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.171 -0.956 . . . . 0.29 109.313 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.22 -37.75 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.307 -0.871 . . . . 1.91 109.343 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.727 HD21 ' OE1' ' B' ' 354' ' ' GLN . 4.5 tp -64.3 -39.97 94.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 0.41 108.87 179.868 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.48 -43.93 95.85 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.879 0.847 . . . . 1.56 108.806 179.338 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -54.76 -30.86 57.67 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.243 0.544 . . . . 1.43 109.72 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.58 40.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.66 109.452 -179.94 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.719 ' OE1' HD21 ' B' ' 350' ' ' LEU . 48.1 mt-30 -81.35 0.46 37.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 1.18 109.599 -179.912 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.02 -70.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 1.23 109.938 -179.73 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.15 37.93 0.79 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.816 -1.314 . . . . 1.54 109.816 -179.633 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 355' ' ' ALA . 58.5 tttm -85.14 -81.0 0.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -1.142 . . . . 4.18 109.477 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.21 132.68 32.12 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.184 -0.948 . . . . 5.71 109.119 -179.88 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.75 -167.27 0.04 OUTLIER 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.686 0.924 . . . . 5.61 109.862 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.908 -1.496 . . . . 7.24 109.519 179.96 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.534 -0.543 . . . . 7.34 109.534 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.5 92.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.374 -0.829 . . . . 7.17 109.359 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.48 70.02 1.73 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.403 -0.81 . . . . 6.44 110.175 179.421 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.24 -148.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.441 1.428 . . . . 4.54 109.296 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.474 HD22 ' N ' ' B' ' 323' ' ' LEU . 3.6 mm? -77.59 99.63 5.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.864 -1.148 . . . . 4.32 109.127 179.685 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -83.4 -117.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.694 -0.629 . . . . 2.47 109.771 -179.683 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.52 50.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.676 -1.37 . . . . 0.95 109.676 -179.727 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -60.76 134.15 56.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -1.066 . . . . 1.61 109.774 -179.932 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.39 157.64 15.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.251 -0.906 . . . . 0.57 109.327 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.12 -171.86 3.05 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.53 109.332 -179.824 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.18 28.11 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.162 -0.961 . . . . 0.38 108.837 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -141.35 135.18 30.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.38 -0.825 . . . . 0.36 109.62 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.68 131.37 34.35 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.684 -0.858 . . . . 1.36 108.684 179.2 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.45 115.94 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.537 -0.727 . . . . 0.49 109.467 -179.53 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -75.07 151.44 38.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.499 -0.751 . . . . 2.1 109.666 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.82 3.89 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.26 -1.136 . . . . 0.44 110.26 179.323 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.38 -48.41 11.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -1.068 . . . . 2.72 109.422 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.22 -40.3 85.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 2.21 109.477 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.37 -40.68 97.9 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.25 -0.906 . . . . 2.79 109.386 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.4 -54.61 41.59 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.557 -0.714 . . . . 0.45 109.889 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -51.82 -38.27 55.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 1.68 109.952 -179.57 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.47 -50.45 71.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.265 -0.897 . . . . 0.43 110.201 -179.309 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.09 -45.67 93.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.109 -0.994 . . . . 0.28 109.23 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.44 -40.68 59.87 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.169 -0.957 . . . . 2.52 109.55 179.727 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.64 -53.87 52.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 1.75 109.829 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.01 -38.39 82.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.115 -0.991 . . . . 0.31 108.636 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.24 -54.98 40.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.497 -0.752 . . . . 1.21 109.577 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.29 -31.89 73.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 1.69 109.843 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.35 -50.94 71.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.27 109.99 -179.535 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.74 -43.29 99.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 0.3 109.325 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.26 -37.76 75.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 1.93 109.265 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.719 HD21 ' OE1' ' A' ' 354' ' ' GLN . 4.6 tp -64.24 -39.86 94.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 0.4 108.877 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.49 -44.04 95.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.403 -0.811 . . . . 1.59 108.938 179.145 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.8 -30.76 57.85 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.245 0.545 . . . . 1.43 109.744 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.53 40.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.65 109.486 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.727 ' OE1' HD21 ' A' ' 350' ' ' LEU . 48.1 mt-30 -81.3 0.41 37.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.345 -0.847 . . . . 1.19 109.656 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.98 -70.42 0.31 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 1.22 109.883 -179.75 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.13 38.01 0.79 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.853 -1.299 . . . . 1.53 109.853 -179.622 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' B' ' 355' ' ' ALA . 58.4 tttm -85.28 -80.93 0.21 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -1.18 . . . . 4.21 109.399 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.29 132.71 32.89 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.274 -0.891 . . . . 5.68 109.152 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.72 -167.3 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 120.657 0.905 . . . . 5.57 109.891 179.659 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.008 -1.44 . . . . 7.2 109.528 179.933 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.492 -0.558 . . . . 8.96 109.492 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.55 92.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 8.15 109.467 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.54 69.99 1.73 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 7.15 110.262 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.26 -148.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 121.492 1.461 . . . . 4.35 109.3 179.734 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.6 mm? -77.58 99.7 5.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.954 -1.092 . . . . 4.63 109.034 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.41 -117.68 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.704 -0.622 . . . . 2.85 109.833 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.53 162.6 50.05 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.74 -1.344 . . . . 1.12 109.74 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.79 134.23 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -1.092 . . . . 2.11 109.819 -179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.45 157.67 15.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.234 -0.917 . . . . 0.64 109.296 179.663 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.09 -171.83 3.04 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.298 -0.876 . . . . 0.49 109.403 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.89 148.25 28.21 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.295 -0.878 . . . . 0.47 108.752 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.43 135.18 30.09 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.354 -0.841 . . . . 0.42 109.619 -178.729 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.71 131.47 34.33 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.609 -0.886 . . . . 1.81 108.609 179.217 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.4 mt -123.56 115.95 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.486 -0.759 . . . . 0.42 109.485 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.04 151.47 38.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 2.35 109.675 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.87 3.91 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.273 -1.131 . . . . 0.41 110.273 179.324 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.41 -48.47 11.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.408 -1.054 . . . . 2.59 109.456 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.211 -0.931 . . . . 2.54 109.501 179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.42 -40.65 97.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.25 -0.906 . . . . 3.39 109.46 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.34 -54.68 40.59 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.484 -0.76 . . . . 0.47 110.01 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.68 -38.3 54.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 1.66 110.053 -179.726 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.43 -50.49 71.3 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.183 -0.948 . . . . 0.61 110.155 -179.321 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.08 -45.71 93.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.242 -0.912 . . . . 0.33 109.189 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.39 -40.83 60.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 3.28 109.447 179.745 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.52 -53.85 52.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.228 -0.92 . . . . 1.78 109.9 -179.659 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.04 -38.42 82.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.139 -0.976 . . . . 0.38 108.63 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.15 -54.99 40.65 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.482 -0.761 . . . . 1.2 109.56 179.583 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.37 -31.89 73.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 2.12 109.789 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -51.0 71.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 0.26 109.906 -179.497 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 0.4 109.354 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -58.27 -37.76 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.09 109.263 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.712 HD21 ' OE1' ' D' ' 354' ' ' GLN . 4.5 tp -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 0.75 108.851 179.894 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.36 -44.17 95.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.351 -0.843 . . . . 2.19 108.987 179.135 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.81 -30.71 57.79 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.218 0.533 . . . . 1.34 109.787 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -52.51 40.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.72 109.482 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.727 ' OE1' HD21 ' D' ' 350' ' ' LEU . 48.1 mt-30 -81.29 0.37 37.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.304 -0.872 . . . . 1.8 109.617 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.97 -70.36 0.31 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.39 109.862 -179.674 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.18 37.96 0.8 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.834 -1.307 . . . . 1.66 109.834 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' C' ' 355' ' ' ALA . 58.4 tttm -85.14 -81.0 0.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.222 -1.164 . . . . 4.45 109.445 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.31 132.7 33.09 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 6.19 109.169 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.7 -167.36 0.04 OUTLIER 'Trans proline' 0 C--O 1.216 -0.624 0 C-N-CA 120.72 0.947 . . . . 5.58 109.885 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 N-CA-C 109.502 -1.439 . . . . 6.9 109.502 179.947 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.305 0.574 . . . . 7.36 109.487 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.49 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.289 -0.882 . . . . 7.15 109.453 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.62 69.91 1.75 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 6.5 110.203 179.43 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.23 -148.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.442 1.428 . . . . 4.5 109.317 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' D' ' 323' ' ' LEU . 3.6 mm? -77.7 99.71 5.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.91 -1.119 . . . . 4.32 109.063 179.76 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.38 -117.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 2.46 109.804 -179.692 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 162.62 49.96 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.738 -1.345 . . . . 0.97 109.738 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.89 134.18 56.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.375 -1.073 . . . . 1.67 109.737 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.51 157.58 15.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.215 -0.928 . . . . 0.61 109.289 179.648 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.94 -171.77 3.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.338 -0.851 . . . . 0.56 109.398 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 27.5 p -150.96 148.26 28.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.163 -0.96 . . . . 0.43 108.75 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.48 135.23 30.05 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.831 . . . . 0.35 109.544 -178.708 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.73 131.42 34.33 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.716 -0.846 . . . . 1.37 108.716 179.197 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.53 115.94 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.436 -0.79 . . . . 0.48 109.432 -179.504 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -74.94 151.39 38.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 2.08 109.722 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.36 136.99 3.98 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.172 -1.171 . . . . 0.4 110.172 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.58 -48.36 11.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.385 -1.067 . . . . 2.64 109.502 179.633 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -59.27 -40.24 85.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.291 -0.881 . . . . 2.22 109.492 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.38 -40.7 97.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.296 -0.878 . . . . 2.74 109.409 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -55.34 -54.58 41.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.605 -0.685 . . . . 0.43 109.958 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -51.83 -38.25 55.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.69 109.981 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.49 -50.35 71.76 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.18 -0.95 . . . . 0.43 110.227 -179.316 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -61.14 -45.62 93.89 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.27 109.211 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.45 -40.85 60.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.927 . . . . 2.45 109.441 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.54 -53.85 52.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.75 109.863 -179.597 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.07 -38.36 82.64 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.129 -0.982 . . . . 0.31 108.584 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.19 -54.96 40.98 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.53 -0.731 . . . . 1.22 109.548 179.592 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.45 -31.75 73.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.842 . . . . 1.73 109.857 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.34 -51.06 71.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.28 109.906 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.66 -43.28 99.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 0.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 1.91 109.287 179.881 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.727 HD21 ' OE1' ' C' ' 354' ' ' GLN . 4.5 tp -64.29 -40.04 95.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.43 108.906 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.42 -43.98 95.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 1.57 108.831 179.296 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -54.78 -30.79 57.66 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.241 0.544 . . . . 1.44 109.77 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -52.56 40.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.64 109.477 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.712 ' OE1' HD21 ' C' ' 350' ' ' LEU . 48.3 mt-30 -81.31 0.39 37.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 1.21 109.622 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.96 -70.34 0.31 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.307 -0.871 . . . . 1.22 109.926 -179.724 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.2 38.0 0.81 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.837 -1.305 . . . . 1.5 109.837 -179.621 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' D' ' 355' ' ' ALA . 58.4 tttm -85.12 -81.01 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -1.132 . . . . 4.18 109.519 179.908 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.21 132.69 32.06 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.288 -0.882 . . . . 5.67 109.152 -179.884 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.73 -167.28 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 120.708 0.939 . . . . 5.65 109.829 179.695 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.99 -1.45 . . . . 7.27 109.532 179.888 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' A' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.5 -0.556 . . . . 7.33 109.5 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 67.06 -13.56 0.2 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.707 . . . . 7.21 109.953 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 319' ' ' LYS . 33.6 tttm 57.38 76.0 0.51 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.104 -0.998 . . . . 6.47 109.383 179.765 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.2 -151.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 121.552 1.502 . . . . 4.53 110.432 -179.256 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.53 113.93 16.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 4.35 109.437 -179.77 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' A' ' 321' ' ' LYS . 6.4 m-20 -80.6 -118.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.284 -0.885 . . . . 2.48 109.651 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 155.28 53.41 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.76 -1.336 . . . . 0.98 109.76 -179.745 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.11 140.75 55.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.316 -1.108 . . . . 1.7 109.566 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -94.43 151.66 19.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.325 -0.86 . . . . 0.61 109.613 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.68 -170.43 2.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.332 -0.855 . . . . 0.58 109.393 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.98 148.04 27.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.547 -0.909 . . . . 0.42 108.547 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.68 135.26 27.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.335 -0.853 . . . . 0.36 109.928 -178.66 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -84.55 127.07 33.85 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.394 -0.965 . . . . 1.37 108.394 179.097 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.62 111.32 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.426 -0.796 . . . . 0.47 109.397 -179.543 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.9 ttt-85 -75.27 152.47 38.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.577 -0.702 . . . . 2.1 109.84 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.03 134.26 4.01 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.859 -1.297 . . . . 0.42 109.859 179.723 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.04 -46.71 17.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.402 -1.058 . . . . 2.68 109.374 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.03 -44.16 87.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 2.22 109.093 179.817 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -62.32 -43.56 98.53 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.249 -0.907 . . . . 2.77 108.961 179.425 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.45 11.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.67 -0.644 . . . . 0.43 109.686 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -52.08 -40.24 60.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.358 -0.838 . . . . 1.66 109.696 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.03 -51.66 65.87 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.29 -0.881 . . . . 0.44 110.059 -179.625 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -47.34 86.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.14 -0.975 . . . . 0.29 108.857 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.44 64.38 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.377 -0.827 . . . . 2.44 109.599 179.772 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.0 -43.43 95.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.247 -0.908 . . . . 1.74 109.984 -179.634 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.18 -40.51 94.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.127 -0.983 . . . . 0.3 109.069 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.44 -54.81 42.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.305 -0.872 . . . . 1.22 109.439 179.635 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.79 -36.71 84.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -0.9 . . . . 1.72 109.724 -179.891 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.08 51.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.27 109.928 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.69 -42.87 99.51 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.29 109.478 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.66 -34.51 72.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 1.91 109.59 179.902 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.03 -51.54 63.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 0.41 109.186 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.4 -46.26 90.88 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.274 -0.891 . . . . 1.56 109.217 179.836 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.23 -32.09 66.18 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.595 -0.691 . . . . 1.43 109.589 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.6 80.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.66 109.804 -179.701 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.54 -6.21 58.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.897 . . . . 1.18 109.615 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -7.04 45.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.942 . . . . 1.23 109.621 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 -19.88 57.03 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.545 -1.422 . . . . 1.54 109.545 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -87.9 144.84 26.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.222 -1.163 . . . . 4.18 109.174 179.66 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.07 152.56 3.78 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 5.71 109.252 -179.628 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.12 154.94 25.85 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.126 1.217 . . . . 5.61 110.179 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.05 -1.417 . . . . 7.24 109.641 179.661 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' B' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.486 -0.561 . . . . 7.34 109.486 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 67.12 -13.78 0.2 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 7.17 109.934 -179.877 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' B' ' 319' ' ' LYS . 33.5 tttm 57.46 75.99 0.51 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.988 . . . . 6.44 109.392 179.839 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.22 -152.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.548 1.498 . . . . 4.54 110.404 -179.225 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.48 113.83 16.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 4.32 109.42 -179.757 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.416 ' CG ' ' NZ ' ' B' ' 321' ' ' LYS . 6.4 m-20 -80.64 -118.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 2.47 109.696 -179.834 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 155.29 53.35 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.838 -1.305 . . . . 0.95 109.838 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.23 140.79 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -1.059 . . . . 1.61 109.532 -179.924 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -94.31 151.69 19.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.228 -0.92 . . . . 0.57 109.651 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -135.86 -170.46 2.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.329 -0.857 . . . . 0.53 109.386 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -152.03 147.83 26.97 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.552 -0.907 . . . . 0.38 108.552 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.8 tp -142.49 135.32 28.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.214 -0.929 . . . . 0.36 109.984 -178.703 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.56 127.09 33.87 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.428 -0.953 . . . . 1.36 108.428 179.089 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.61 111.23 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.529 -0.732 . . . . 0.49 109.377 -179.454 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.9 ttt-85 -75.22 152.48 38.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.555 -0.716 . . . . 2.1 109.794 -179.9 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.0 134.19 3.96 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.863 -1.295 . . . . 0.44 109.863 179.704 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.99 -46.66 17.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -1.111 . . . . 2.72 109.381 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.02 -44.23 87.19 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.234 -0.916 . . . . 2.21 109.102 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -62.24 -43.53 98.62 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.296 -0.878 . . . . 2.79 109.005 179.413 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.05 -57.45 11.65 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.629 -0.669 . . . . 0.45 109.654 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.13 61.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.68 109.645 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.13 -51.66 65.62 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 0.43 110.01 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.17 -47.48 85.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.28 108.823 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.96 -44.45 63.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.343 -0.848 . . . . 2.52 109.657 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 1.75 109.979 -179.651 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.19 -40.56 94.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.182 -0.949 . . . . 0.31 109.009 -179.965 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.36 -54.87 42.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 1.21 109.461 179.645 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.415 ' CD ' ' N ' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -62.71 -36.77 84.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 1.69 109.741 -179.918 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.03 51.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.27 109.941 -179.592 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.3 109.436 -179.788 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.71 -34.52 73.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 1.93 109.582 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -63.93 -51.65 63.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.268 -0.895 . . . . 0.4 109.125 -179.894 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.37 -46.22 91.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.59 109.232 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 40.5 m-20 -57.27 -32.08 66.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.568 -0.708 . . . . 1.43 109.546 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.59 80.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.65 109.782 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.57 -6.15 58.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.19 109.629 -179.819 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.02 45.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 1.22 109.688 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.75 -19.88 57.13 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.588 -1.405 . . . . 1.53 109.588 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -87.9 144.79 26.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.21 -1.17 . . . . 4.21 109.107 179.73 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.02 152.44 3.78 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.945 . . . . 5.68 109.263 -179.721 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -56.03 154.95 25.34 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.115 1.21 . . . . 5.57 110.173 179.433 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.027 -1.429 . . . . 7.2 109.651 179.695 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' C' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.47 -0.567 . . . . 8.96 109.47 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 69.3 tttt 67.07 -13.65 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.568 -0.708 . . . . 8.15 109.957 -179.867 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' C' ' 319' ' ' LYS . 33.5 tttm 57.38 76.05 0.51 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.094 -1.004 . . . . 7.15 109.384 179.793 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.2 -151.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.858 0 C-N-CA 121.582 1.521 . . . . 4.35 110.386 -179.235 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.57 113.87 16.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.313 -0.867 . . . . 4.63 109.361 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.417 ' CG ' ' NZ ' ' C' ' 321' ' ' LYS . 6.3 m-20 -80.62 -118.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.847 . . . . 2.85 109.758 -179.861 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.28 53.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.723 -1.351 . . . . 1.12 109.723 -179.75 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.16 140.69 55.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.357 -1.084 . . . . 2.11 109.565 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -94.32 151.79 19.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -0.907 . . . . 0.64 109.632 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -135.79 -170.49 2.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.346 -0.846 . . . . 0.49 109.354 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.98 148.06 27.29 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.531 -0.915 . . . . 0.47 108.531 179.856 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.9 tp -142.72 135.24 27.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.235 -0.916 . . . . 0.42 109.961 -178.688 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 127.16 33.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.412 -0.958 . . . . 1.81 108.412 179.127 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.67 111.28 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.491 -0.756 . . . . 0.42 109.337 -179.455 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.46 38.12 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.625 -0.672 . . . . 2.35 109.813 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.06 134.25 4.01 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.81 -1.316 . . . . 0.41 109.81 179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.0 -46.78 17.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -1.14 . . . . 2.59 109.343 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.05 -44.04 87.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.28 -0.887 . . . . 2.54 109.134 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -62.39 -43.51 98.65 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.298 -0.876 . . . . 3.39 108.944 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.07 -57.4 11.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.652 -0.655 . . . . 0.47 109.684 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -52.15 -40.15 60.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 1.66 109.677 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.11 -51.66 65.67 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.366 -0.834 . . . . 0.61 110.052 -179.622 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.19 -47.39 86.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.33 108.877 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.37 64.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.4 -0.812 . . . . 3.28 109.637 179.781 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.93 -43.58 94.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 1.78 110.006 -179.733 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.09 -40.45 93.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.38 109.122 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.48 -54.85 42.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.355 -0.841 . . . . 1.2 109.471 179.64 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.78 -36.73 84.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.348 -0.845 . . . . 2.12 109.733 -179.902 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.02 51.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.26 109.981 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.68 -42.78 99.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 0.4 109.527 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.75 -34.6 73.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.175 -0.953 . . . . 2.09 109.525 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.497 ' O ' HD23 ' C' ' 350' ' ' LEU . 2.1 tt -63.89 -51.63 63.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -0.898 . . . . 0.75 109.181 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.33 -46.27 90.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -0.863 . . . . 2.19 109.271 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 40.7 m-20 -57.17 -32.14 66.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.629 -0.669 . . . . 1.34 109.577 179.873 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.59 80.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.72 109.841 -179.664 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.59 -6.1 58.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 1.8 109.626 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.85 -6.99 45.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 1.39 109.546 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.85 56.91 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.457 -1.457 . . . . 1.66 109.457 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -87.96 144.79 26.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.15 . . . . 4.45 109.12 179.724 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.02 152.45 3.78 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.171 -0.955 . . . . 6.19 109.222 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.07 154.94 25.56 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.065 1.177 . . . . 5.58 110.189 179.459 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.987 -1.451 . . . . 6.9 109.692 179.75 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' D' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.515 -0.55 . . . . 7.36 109.515 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 69.3 tttt 67.1 -13.69 0.2 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.517 -0.739 . . . . 7.15 109.889 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' D' ' 319' ' ' LYS . 33.5 tttm 57.38 76.0 0.51 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 6.5 109.433 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.12 -151.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.574 1.516 . . . . 4.5 110.487 -179.286 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.3 mt -78.58 113.92 17.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.856 . . . . 4.32 109.393 -179.778 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.419 ' CG ' ' NZ ' ' D' ' 321' ' ' LYS . 6.4 m-20 -80.66 -118.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.46 109.674 -179.774 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.54 155.36 53.35 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.808 -1.317 . . . . 0.97 109.808 -179.804 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.26 140.83 55.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.351 -1.087 . . . . 1.67 109.526 -179.958 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -94.34 151.62 19.27 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.61 109.621 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.73 -170.39 2.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.381 -0.825 . . . . 0.56 109.364 179.876 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -152.06 147.92 27.07 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.532 -0.914 . . . . 0.43 108.532 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.52 135.43 28.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -0.839 . . . . 0.35 109.957 -178.711 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.65 127.09 33.9 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.459 -0.941 . . . . 1.37 108.459 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.61 111.26 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.506 -0.746 . . . . 0.48 109.357 -179.433 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.48 38.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.624 -0.672 . . . . 2.08 109.806 -179.905 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.96 134.25 3.96 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.97 -46.76 17.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -1.135 . . . . 2.64 109.407 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.01 -44.16 87.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 2.22 109.047 179.809 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -62.27 -43.63 98.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.282 -0.886 . . . . 2.74 108.929 179.485 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.41 11.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.645 -0.659 . . . . 0.43 109.698 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.22 61.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.873 . . . . 1.69 109.636 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.01 -51.68 65.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.25 -0.906 . . . . 0.43 110.059 -179.614 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.18 -47.44 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.27 108.896 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.97 -44.46 64.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 2.45 109.647 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.97 -43.51 95.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 1.75 110.076 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.06 -40.5 93.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.12 -0.988 . . . . 0.31 109.099 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.43 -54.9 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.273 -0.892 . . . . 1.22 109.373 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -36.73 84.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.873 . . . . 1.73 109.745 -179.844 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.02 51.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.139 -0.976 . . . . 0.28 109.933 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.68 -42.87 99.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.31 109.462 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.68 -34.5 72.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.249 -0.907 . . . . 1.91 109.617 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.499 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.1 tt -63.97 -51.63 63.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.43 109.132 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.44 -46.22 91.01 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.314 -0.866 . . . . 1.57 109.206 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -57.2 -32.13 66.17 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.554 -0.716 . . . . 1.44 109.541 179.882 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.54 80.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.64 109.802 -179.687 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 -6.16 58.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 1.21 109.65 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -7.06 45.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 1.22 109.645 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.8 -19.8 57.19 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.495 -1.442 . . . . 1.5 109.495 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -88.02 144.8 26.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -1.172 . . . . 4.18 109.047 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.04 152.54 3.75 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 5.67 109.277 -179.673 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.07 154.96 25.51 Favored 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.145 1.23 . . . . 5.65 110.119 179.479 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 118.051 -1.416 . . . . 7.27 109.635 179.636 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.294 0.568 . . . . 7.33 109.511 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 52.96 -141.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.275 -0.891 . . . . 7.21 109.538 -179.91 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.24 70.1 2.07 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.257 -0.902 . . . . 6.47 109.428 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.41 97.79 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.537 1.492 . . . . 4.53 110.175 -179.43 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.8 mt -81.15 38.56 0.48 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.391 -0.818 . . . . 4.35 109.186 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.58 167.94 20.96 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.691 -0.63 . . . . 2.48 109.563 -179.624 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.45 ' H ' ' NE ' ' C' ' 333' ' ' ARG . . . -67.89 177.27 23.65 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.033 -1.227 . . . . 0.98 110.033 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.78 142.93 48.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.478 -1.013 . . . . 1.7 109.711 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.68 155.94 16.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.279 -0.888 . . . . 0.61 109.79 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -135.86 -168.68 2.26 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.515 -0.741 . . . . 0.58 109.099 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.35 152.46 33.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.918 . . . . 0.42 108.86 -179.763 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 69.2 tp -143.04 135.74 27.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 0.36 109.883 -178.749 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.06 127.35 34.18 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.711 -0.848 . . . . 1.37 108.711 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.24 112.01 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.533 -0.729 . . . . 0.47 109.073 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.452 ' NE ' ' H ' ' C' ' 325' ' ' GLY . 1.5 tmt_? -73.9 145.14 45.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.63 -0.669 . . . . 2.1 110.533 -179.313 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.65 131.61 5.31 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.361 -1.096 . . . . 0.42 110.361 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.48 ' HG3' HH11 ' A' ' 335' ' ' ARG . 3.3 ttm-85 -80.01 -39.33 30.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 2.68 108.878 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 -49.38 77.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.243 -0.91 . . . . 2.22 109.205 179.688 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 10.8 ttm-85 -63.97 -36.37 83.75 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.255 -0.903 . . . . 2.77 109.741 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -51.99 -52.02 53.4 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.451 -0.78 . . . . 0.43 109.144 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 72.1 mm-40 -53.94 -38.56 65.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 1.66 109.297 179.383 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.45 -55.97 22.58 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.387 -0.82 . . . . 0.44 110.233 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.64 -48.23 82.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.29 109.28 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 8.6 ttm180 -52.26 -39.34 60.25 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.19 -0.944 . . . . 2.44 109.845 -179.804 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.22 -43.25 99.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.185 -0.947 . . . . 1.74 110.293 -179.433 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.34 -41.89 94.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.3 109.503 -179.552 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.74 -52.76 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.22 109.85 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 1.3 mp0 -62.46 -38.96 91.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.308 -0.87 . . . . 1.72 109.76 -179.496 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.21 66.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.27 109.687 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.41 -44.51 96.27 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.422 -0.799 . . . . 0.29 109.38 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.95 -34.49 71.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 1.91 109.417 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.35 -49.72 70.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.41 109.187 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.36 -48.55 75.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.413 -0.804 . . . . 1.56 108.932 179.587 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.61 -29.49 64.57 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.658 -0.651 . . . . 1.43 109.652 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.62 78.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.66 109.394 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -82.02 -5.16 58.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.18 109.482 179.959 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.61 -1.73 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.288 -0.882 . . . . 1.23 109.51 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.02 -3.47 90.68 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.435 -1.466 . . . . 1.54 109.435 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -85.72 24.19 1.28 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -1.127 . . . . 4.18 109.553 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.457 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.3 mm-40 -51.84 -51.83 66.96 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 5.71 110.063 179.841 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -61.94 100.66 0.21 Allowed 'Trans proline' 0 C--N 1.324 -0.761 0 N-CA-C 109.598 -0.962 . . . . 5.61 109.598 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.494 -1.442 . . . . 7.24 109.494 -179.952 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.518 -0.549 . . . . 7.34 109.518 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 53.0 -141.29 0.87 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 7.17 109.538 -179.942 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.35 70.06 2.08 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.929 . . . . 6.44 109.422 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.43 97.75 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.57 1.513 . . . . 4.54 110.212 -179.419 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.08 38.51 0.47 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.461 -0.774 . . . . 4.32 109.234 179.611 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.6 167.74 21.3 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.625 -0.672 . . . . 2.47 109.588 -179.588 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.467 ' H ' ' NE ' ' D' ' 333' ' ' ARG . . . -67.5 177.35 21.76 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.083 -1.207 . . . . 0.95 110.083 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.95 142.94 49.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.446 -1.032 . . . . 1.61 109.735 179.977 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -95.59 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 0.57 109.848 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -135.78 -168.79 2.28 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.445 -0.784 . . . . 0.53 109.113 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.4 p -151.29 152.39 33.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.214 -0.929 . . . . 0.38 108.916 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.91 135.79 27.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.307 -0.871 . . . . 0.36 109.884 -178.743 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.16 127.39 34.24 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.643 -0.873 . . . . 1.36 108.643 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.27 112.07 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.477 -0.764 . . . . 0.49 109.061 -179.561 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.467 ' NE ' ' H ' ' D' ' 325' ' ' GLY . 1.5 tmt_? -73.87 145.04 45.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.566 -0.709 . . . . 2.1 110.524 -179.288 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 131.51 5.32 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.428 -1.069 . . . . 0.44 110.428 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.472 ' HG3' HH11 ' B' ' 335' ' ' ARG . 3.3 ttm-85 -80.03 -39.15 30.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.536 -0.979 . . . . 2.72 108.966 179.312 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.69 -49.37 77.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.252 -0.905 . . . . 2.21 109.168 179.664 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.475 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 10.7 ttm-85 -63.99 -36.39 83.83 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.237 -0.915 . . . . 2.79 109.654 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -52.08 -51.89 54.81 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.351 -0.843 . . . . 0.45 109.162 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 72.3 mm-40 -53.98 -38.58 65.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.68 109.248 179.371 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -62.39 -55.99 22.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.439 -0.788 . . . . 0.43 110.211 -179.543 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.7 -48.33 82.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.28 109.213 179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 8.6 ttm180 -52.17 -39.38 59.98 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.266 -0.896 . . . . 2.52 109.848 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.26 -43.21 99.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.229 -0.919 . . . . 1.75 110.315 -179.439 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.3 -41.93 94.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.118 -0.989 . . . . 0.31 109.523 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.75 -52.77 64.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.21 109.864 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.91 91.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 1.69 109.815 -179.535 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.31 65.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.116 -0.99 . . . . 0.27 109.671 -179.631 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.31 -44.5 96.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.342 -0.849 . . . . 0.3 109.463 -179.872 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.91 -34.51 71.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.243 -0.911 . . . . 1.93 109.403 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.39 -49.73 70.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.4 109.058 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.39 -48.55 75.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.896 -0.779 . . . . 1.59 108.896 179.66 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.58 -29.52 64.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.68 -0.638 . . . . 1.43 109.661 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.55 78.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.198 -0.939 . . . . 0.65 109.435 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -82.02 -5.16 58.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.298 -0.876 . . . . 1.19 109.515 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -1.84 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 1.22 109.492 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.57 90.6 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.459 -1.456 . . . . 1.53 109.459 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -85.64 24.23 1.26 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -1.136 . . . . 4.21 109.561 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.3 mm-40 -51.87 -51.89 66.39 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.183 -0.948 . . . . 5.68 110.037 179.824 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -61.87 100.64 0.2 Allowed 'Trans proline' 0 C--N 1.323 -0.774 0 N-CA-C 109.578 -0.97 . . . . 5.57 109.578 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.962 -1.466 . . . . 7.2 109.491 -179.945 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.475 -0.565 . . . . 8.96 109.475 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 53.04 -141.27 0.87 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.326 -0.859 . . . . 8.15 109.485 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 52.25 70.14 2.05 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.176 -0.952 . . . . 7.15 109.415 -179.907 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.5 97.8 0.15 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 C-N-CA 121.51 1.474 . . . . 4.35 110.225 -179.475 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.13 38.55 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.455 -0.778 . . . . 4.63 109.171 179.65 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.6 167.87 21.07 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.668 -0.645 . . . . 2.85 109.593 -179.616 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.452 ' H ' ' NE ' ' A' ' 333' ' ' ARG . . . -67.7 177.36 22.59 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.11 -1.196 . . . . 1.12 110.11 -179.596 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.89 142.95 49.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.411 -1.052 . . . . 2.11 109.808 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.69 155.92 16.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.64 109.835 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.83 -168.88 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.459 -0.775 . . . . 0.49 109.123 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -151.25 152.43 33.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.204 -0.935 . . . . 0.47 108.928 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.97 135.78 27.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.286 -0.884 . . . . 0.42 109.886 -178.697 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.19 127.31 34.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.694 -0.854 . . . . 1.81 108.694 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.2 112.11 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.534 -0.729 . . . . 0.42 109.039 -179.562 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.45 ' NE ' ' H ' ' A' ' 325' ' ' GLY . 1.5 tmt_? -73.94 145.13 44.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.72 . . . . 2.35 110.474 -179.305 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 131.52 5.28 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.454 -1.059 . . . . 0.41 110.454 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' C' ' 335' ' ' ARG . 3.3 ttm-85 -79.98 -39.32 30.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.539 -0.977 . . . . 2.59 108.91 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.5 -49.42 77.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 2.54 109.243 179.667 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.479 ' HG3' ' NH1' ' C' ' 337' ' ' ARG . 10.8 ttm-85 -63.95 -36.44 83.97 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.21 -0.931 . . . . 3.39 109.755 -179.862 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.02 -51.96 53.94 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.47 109.104 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 72.3 mm-40 -53.94 -38.61 65.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 1.66 109.249 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.38 -56.08 21.73 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.24 -0.912 . . . . 0.61 110.221 -179.574 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.54 -48.33 82.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.33 109.33 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 8.6 ttm180 -52.19 -39.39 60.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.221 -0.925 . . . . 3.28 109.841 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.33 -43.14 99.38 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.148 -0.97 . . . . 1.78 110.277 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.33 -41.92 94.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.105 -0.997 . . . . 0.38 109.527 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.76 -52.77 64.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.131 -0.98 . . . . 1.2 109.888 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.94 91.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.915 . . . . 2.12 109.814 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.31 65.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 0.26 109.674 -179.638 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.21 -44.65 96.11 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.389 -0.82 . . . . 0.4 109.459 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.82 -34.52 71.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.368 -0.833 . . . . 2.09 109.481 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.34 -49.81 70.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 0.75 109.086 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.31 -48.58 75.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.443 -0.785 . . . . 2.19 108.936 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.62 -29.45 64.55 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.65 -0.656 . . . . 1.34 109.681 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.44 78.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.72 109.457 -179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -82.1 -5.14 58.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 1.8 109.476 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -1.81 12.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 1.39 109.452 -179.939 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.46 90.64 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.46 -1.456 . . . . 1.66 109.46 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -85.71 24.2 1.28 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.261 -1.141 . . . . 4.45 109.614 -179.923 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.3 mm-40 -51.79 -51.92 65.91 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 6.19 110.08 179.852 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.4 Cg_endo -61.89 100.6 0.2 Allowed 'Trans proline' 0 C--N 1.325 -0.707 0 N-CA-C 109.654 -0.941 . . . . 5.58 109.654 -179.843 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 118.024 -1.431 . . . . 6.9 109.545 -179.984 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.3 0.571 . . . . 7.36 109.491 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 52.94 -141.29 0.87 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 7.15 109.562 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.31 70.12 2.06 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.22 -0.925 . . . . 6.5 109.366 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.44 97.75 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.521 1.481 . . . . 4.5 110.231 -179.509 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.1 38.59 0.47 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.778 . . . . 4.32 109.192 179.606 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.49 167.87 21.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.652 -0.655 . . . . 2.46 109.623 -179.687 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.467 ' H ' ' NE ' ' B' ' 333' ' ' ARG . . . -67.79 177.32 23.08 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.061 -1.216 . . . . 0.97 110.061 -179.616 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.93 142.89 49.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -1.058 . . . . 1.67 109.741 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -95.61 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.61 109.811 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.85 -168.82 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.39 -0.819 . . . . 0.56 109.162 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.3 152.27 32.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.18 -0.95 . . . . 0.43 108.956 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 69.5 tp -142.91 135.76 27.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.288 -0.883 . . . . 0.35 109.912 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.05 127.33 34.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.723 -0.843 . . . . 1.37 108.723 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.19 112.01 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.555 -0.715 . . . . 0.48 109.077 -179.566 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.467 ' NE ' ' H ' ' B' ' 325' ' ' GLY . 1.5 tmt_? -73.9 145.16 45.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.555 -0.715 . . . . 2.08 110.511 -179.31 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.62 131.61 5.3 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.459 -1.056 . . . . 0.4 110.459 179.327 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' D' ' 335' ' ' ARG . 3.3 ttm-85 -80.0 -39.29 30.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.49 -1.006 . . . . 2.64 108.944 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.59 -49.41 77.65 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.155 -0.966 . . . . 2.22 109.147 179.737 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.472 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 10.6 ttm-85 -63.95 -36.45 84.01 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.245 -0.909 . . . . 2.74 109.717 -179.842 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -51.99 -51.96 53.77 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.312 -0.867 . . . . 0.43 109.165 -179.813 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 72.4 mm-40 -53.98 -38.64 65.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.69 109.217 179.402 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.34 -56.06 22.03 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.369 -0.832 . . . . 0.43 110.242 -179.55 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.59 -48.35 82.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.145 -0.972 . . . . 0.27 109.279 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 8.6 ttm180 -52.11 -39.43 59.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.275 -0.89 . . . . 2.45 109.848 -179.821 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.28 -43.13 99.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 1.75 110.342 -179.405 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.39 -41.85 94.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.31 109.541 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.73 -52.83 64.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.912 . . . . 1.22 109.876 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 1.3 mp0 -62.36 -38.9 91.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.181 -0.949 . . . . 1.73 109.811 -179.532 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 0.28 109.683 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.31 109.439 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.89 -34.56 71.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 1.91 109.42 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.31 -49.83 70.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.263 -0.898 . . . . 0.43 109.109 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.31 -48.46 75.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.42 -0.8 . . . . 1.57 108.966 179.627 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.8 -29.48 64.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.641 -0.662 . . . . 1.44 109.586 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.57 78.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.17 -0.957 . . . . 0.64 109.465 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -82.05 -5.19 58.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.21 109.491 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -1.85 12.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.94 . . . . 1.22 109.488 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.94 -3.55 90.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.493 -1.443 . . . . 1.5 109.493 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -85.65 24.21 1.26 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.276 -1.132 . . . . 4.18 109.645 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.2 mm-40 -51.88 -51.86 66.82 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 5.67 110.048 179.886 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.4 Cg_endo -61.97 100.65 0.21 Allowed 'Trans proline' 0 C--N 1.324 -0.733 0 N-CA-C 109.613 -0.957 . . . . 5.65 109.613 -179.834 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 CA-C-O 117.988 -1.451 . . . . 7.27 109.563 -179.99 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.517 -0.549 . . . . 7.33 109.517 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 321' ' ' LYS . 48.0 mtpt 52.05 -170.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.248 -0.907 . . . . 7.21 109.172 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 320' ' ' LYS . 48.4 tttp 107.86 -38.11 0.0 OUTLIER Pre-proline 0 N--CA 1.516 2.841 0 N-CA-C 113.793 1.034 . . . . 6.47 113.793 179.938 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -64.18 166.98 15.35 Favored 'Trans proline' 0 C--O 1.214 -0.709 0 CA-C-N 120.885 1.352 . . . . 4.53 109.747 -179.715 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.98 131.06 35.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 4.35 109.335 179.871 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.96 -154.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 2.48 109.544 -179.862 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 166.3 46.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.626 -1.39 . . . . 0.98 109.626 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -59.0 135.61 57.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.284 -1.127 . . . . 1.7 109.346 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 21.1 m-85 -94.31 149.33 21.34 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.237 -0.915 . . . . 0.61 109.739 -179.745 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.19 138.45 35.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.58 108.83 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.7 p -94.15 165.22 12.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.42 109.283 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.28 13.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.168 -0.957 . . . . 0.36 109.935 -179.133 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -84.03 126.99 33.58 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.483 -0.932 . . . . 1.37 108.483 179.362 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.46 117.51 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.536 -0.727 . . . . 0.47 109.969 -179.102 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.16 155.64 32.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.603 -0.686 . . . . 2.1 109.684 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.82 2.11 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.457 -1.057 . . . . 0.42 110.457 179.003 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.22 -42.13 14.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.428 -1.043 . . . . 2.68 109.26 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.82 -46.71 88.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 2.22 109.799 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.483 ' HG3' HH11 ' A' ' 337' ' ' ARG . 18.8 ttm-85 -63.95 -39.94 95.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.191 -0.943 . . . . 2.77 109.7 -179.694 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.17 -54.43 30.84 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 0.43 109.286 179.858 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.57 -37.84 63.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.325 -0.859 . . . . 1.66 109.741 -179.639 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.03 -49.75 71.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 0.44 110.456 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.06 -43.16 95.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.29 109.127 -179.607 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.64 -44.6 57.44 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 2.44 109.468 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.414 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 tp10 -61.54 -47.32 86.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 1.74 109.703 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.9 -45.02 96.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.235 -0.916 . . . . 0.3 109.352 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.67 -50.19 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.905 . . . . 1.22 109.464 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 92.8 mt-10 -64.07 -35.82 81.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 1.72 109.802 -179.776 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.76 -58.36 8.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -0.814 . . . . 0.27 110.268 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.24 -38.82 84.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.29 109.504 -179.539 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.64 -33.61 73.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.152 -0.967 . . . . 1.91 108.875 179.268 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' B' ' 350' ' ' LEU . 2.7 tt -64.67 -52.45 57.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.41 109.077 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 31.1 ttmt -62.03 -47.03 86.58 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.401 -0.812 . . . . 1.56 109.008 179.795 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.82 -30.75 65.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.54 -0.725 . . . . 1.43 109.327 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -30.87 70.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.386 -0.821 . . . . 0.66 109.526 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -83.29 -26.18 30.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.245 -0.909 . . . . 1.18 109.247 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.5 58.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 1.23 109.086 179.513 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 50.52 4.39 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.564 -1.414 . . . . 1.54 109.564 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 358' ' ' GLU . 26.0 ttpp -84.02 175.53 9.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -1.168 . . . . 4.18 109.062 179.912 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.433 ' H ' ' CG ' ' A' ' 357' ' ' LYS . 80.2 mm-40 -42.38 106.25 0.45 Allowed Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.494 -0.754 . . . . 5.71 109.957 -179.643 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.67 144.85 90.47 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 120.7 0.934 . . . . 5.61 109.833 -179.579 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 118.054 -1.415 . . . . 7.24 109.566 179.946 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.429 -0.582 . . . . 7.34 109.429 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' B' ' 321' ' ' LYS . 48.0 mtpt 52.03 -170.69 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 7.17 109.183 -179.779 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' B' ' 320' ' ' LYS . 48.5 tttp 107.82 -38.0 0.0 OUTLIER Pre-proline 0 N--CA 1.517 2.892 0 N-CA-C 113.782 1.03 . . . . 6.44 113.782 179.858 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -64.14 166.97 15.3 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 CA-C-N 120.874 1.348 . . . . 4.54 109.821 -179.762 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.07 131.14 35.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.234 -0.916 . . . . 4.32 109.261 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.01 -153.97 0.09 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 2.47 109.549 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 166.27 46.53 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.652 -1.379 . . . . 0.95 109.652 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.92 135.55 57.61 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 1.61 109.405 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 20.6 m-85 -94.25 149.22 21.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.234 -0.916 . . . . 0.57 109.879 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.47 35.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -0.844 . . . . 0.53 108.859 179.251 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.9 p -94.17 165.39 12.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -0.875 . . . . 0.38 109.207 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.19 13.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 0.36 109.962 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.85 126.99 33.51 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.559 -0.904 . . . . 1.36 108.559 179.294 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 117.62 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.537 -0.727 . . . . 0.49 109.923 -179.166 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.21 155.7 32.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.511 -0.743 . . . . 2.1 109.62 179.319 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.89 2.13 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.468 -1.053 . . . . 0.44 110.468 178.991 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -85.33 -42.12 14.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.39 -1.065 . . . . 2.72 109.293 179.444 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.77 -46.79 88.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.414 -0.804 . . . . 2.21 109.809 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.481 ' HG3' HH11 ' B' ' 337' ' ' ARG . 19.0 ttm-85 -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.213 -0.929 . . . . 2.79 109.715 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.15 -54.46 30.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.306 -0.871 . . . . 0.45 109.308 179.853 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.44 -37.99 63.11 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.322 -0.861 . . . . 1.68 109.826 -179.732 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' C' ' 340' ' ' MET . 25.2 ttp -63.97 -49.79 71.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.304 -0.873 . . . . 0.43 110.49 -179.147 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.07 -43.05 95.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.11 -0.994 . . . . 0.28 109.186 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.73 -44.52 58.35 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.186 -0.946 . . . . 2.52 109.465 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 tp10 -61.59 -47.29 86.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 1.75 109.685 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.98 -45.03 96.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.177 -0.952 . . . . 0.31 109.316 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.66 -50.12 75.09 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.291 -0.881 . . . . 1.21 109.489 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.544 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 92.8 mt-10 -64.18 -35.49 80.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.354 -0.841 . . . . 1.69 109.859 -179.797 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.05 -58.26 9.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.27 110.232 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.31 -38.78 84.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.3 109.505 -179.546 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.64 73.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.012 . . . . 1.93 108.931 179.196 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' A' ' 350' ' ' LEU . 2.8 tt -64.7 -52.46 57.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.472 -0.767 . . . . 0.4 109.057 179.806 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.44 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 30.9 ttmt -62.02 -47.02 86.63 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.423 -0.798 . . . . 1.59 109.016 179.764 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -30.62 65.99 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.572 -0.705 . . . . 1.43 109.39 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.95 71.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.319 -0.863 . . . . 0.65 109.523 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -83.29 -26.13 30.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 1.19 109.232 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.42 58.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.354 -0.841 . . . . 1.22 109.038 179.529 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 50.58 4.38 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.41 . . . . 1.53 109.574 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.434 ' CG ' ' H ' ' B' ' 358' ' ' GLU . 26.0 ttpp -84.01 175.52 9.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.204 -1.174 . . . . 4.21 109.06 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.434 ' H ' ' CG ' ' B' ' 357' ' ' LYS . 80.2 mm-40 -42.43 106.3 0.46 Allowed Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 5.68 109.967 -179.648 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.63 144.9 90.77 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 120.709 0.94 . . . . 5.57 109.791 -179.585 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.492 -1.443 . . . . 7.2 109.492 179.924 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.468 -0.567 . . . . 8.96 109.468 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' C' ' 321' ' ' LYS . 48.0 mtpt 52.04 -170.72 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.217 -0.927 . . . . 8.15 109.196 -179.763 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' C' ' 320' ' ' LYS . 48.4 tttp 107.82 -38.03 0.0 OUTLIER Pre-proline 0 N--CA 1.516 2.873 0 N-CA-C 113.814 1.042 . . . . 7.15 113.814 179.888 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -64.18 167.04 15.24 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 CA-C-N 120.827 1.331 . . . . 4.35 109.815 -179.71 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.03 131.12 35.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 4.63 109.263 179.897 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.04 -154.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.315 -0.866 . . . . 2.85 109.583 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 166.24 46.62 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.626 -1.389 . . . . 1.12 109.626 -179.94 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.95 135.57 57.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -1.13 . . . . 2.11 109.364 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 20.8 m-85 -94.24 149.31 21.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 0.64 109.83 -179.798 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -140.16 138.44 35.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 0.49 108.877 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -94.17 165.3 12.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.428 -0.795 . . . . 0.47 109.244 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.16 13.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.978 . . . . 0.42 109.998 -179.136 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.84 126.91 33.43 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.593 -0.891 . . . . 1.81 108.593 179.348 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -124.44 117.52 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.523 -0.735 . . . . 0.42 110.011 -179.117 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.13 155.69 32.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.582 -0.699 . . . . 2.35 109.659 179.361 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.43 136.91 2.12 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.415 -1.074 . . . . 0.41 110.415 178.975 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -85.31 -42.18 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.456 -1.026 . . . . 2.59 109.245 179.418 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.78 -46.79 88.08 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.336 -0.853 . . . . 2.54 109.764 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.488 HH11 ' HG3' ' C' ' 337' ' ' ARG . 18.9 ttm-85 -63.91 -39.99 95.46 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.226 -0.921 . . . . 3.39 109.668 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.13 -54.53 29.5 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.329 -0.857 . . . . 0.47 109.299 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.42 -37.84 62.93 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.361 -0.837 . . . . 1.66 109.869 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' B' ' 340' ' ' MET . 25.3 ttp -64.03 -49.8 70.98 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.337 -0.852 . . . . 0.61 110.455 -179.142 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.05 -43.1 95.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.101 -1.0 . . . . 0.33 109.215 -179.627 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.67 -44.5 57.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.198 -0.938 . . . . 3.28 109.533 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 tp10 -61.52 -47.37 85.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 1.78 109.703 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.91 -45.06 96.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.227 -0.92 . . . . 0.38 109.356 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.64 -50.22 74.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.313 -0.867 . . . . 1.2 109.463 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.53 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 92.8 mt-10 -64.16 -35.46 80.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 2.12 109.838 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.97 -58.36 8.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.226 -0.921 . . . . 0.26 110.253 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.26 -38.78 84.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.232 -0.918 . . . . 0.4 109.515 -179.518 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.63 -33.67 73.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 2.09 108.874 179.248 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -64.68 -52.33 57.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.622 0.725 . . . . 0.75 109.087 179.801 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' D' ' 343' ' ' GLU . 31.0 ttmt -62.19 -46.96 86.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 2.19 109.024 179.734 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.89 -30.63 66.01 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 1.34 109.348 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.0 71.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.72 109.569 -179.973 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.18 -26.23 31.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 1.8 109.278 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.7 -9.48 58.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 1.39 109.041 179.551 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 50.57 4.38 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.576 -1.409 . . . . 1.66 109.576 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.431 ' CG ' ' H ' ' C' ' 358' ' ' GLU . 26.0 ttpp -84.06 175.54 9.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -1.145 . . . . 4.45 109.047 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' C' ' 357' ' ' LYS . 80.2 mm-40 -42.4 106.26 0.45 Allowed Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.526 -0.734 . . . . 6.19 109.934 -179.647 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.68 144.83 90.39 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 C-N-CA 120.652 0.902 . . . . 5.58 109.869 -179.622 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.522 -1.431 . . . . 6.9 109.522 -179.989 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.409 -0.589 . . . . 7.36 109.409 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' D' ' 321' ' ' LYS . 48.1 mtpt 52.1 -170.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 7.15 109.104 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' D' ' 320' ' ' LYS . 48.4 tttp 107.83 -38.01 0.0 OUTLIER Pre-proline 0 N--CA 1.517 2.879 0 N-CA-C 113.79 1.033 . . . . 6.5 113.79 179.887 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' D' ' 321' ' ' LYS . 2.3 Cg_endo -64.2 166.95 15.5 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 CA-C-N 120.81 1.325 . . . . 4.5 109.728 -179.714 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.0 131.06 35.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.23 -0.919 . . . . 4.32 109.265 179.936 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.02 -153.91 0.09 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 2.46 109.566 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.72 166.4 46.56 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.97 109.557 -179.851 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.03 135.55 57.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -1.161 . . . . 1.67 109.303 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 21.2 m-85 -94.33 149.29 21.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.276 -0.89 . . . . 0.61 109.783 -179.811 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.55 35.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.375 -0.828 . . . . 0.56 108.805 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -94.33 165.2 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.38 -0.825 . . . . 0.43 109.209 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.23 13.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.35 109.992 -179.099 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.89 126.96 33.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 1.37 108.542 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.5 117.45 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.472 -0.768 . . . . 0.48 110.044 -179.139 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.06 155.64 32.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.598 -0.689 . . . . 2.08 109.675 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.37 136.93 2.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.442 -1.063 . . . . 0.4 110.442 179.025 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.27 -42.22 14.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.385 -1.068 . . . . 2.64 109.199 179.478 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.73 -46.75 88.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 2.22 109.816 -179.753 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' D' ' 337' ' ' ARG . 18.5 ttm-85 -63.96 -39.92 95.23 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.138 -0.977 . . . . 2.74 109.741 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.16 -54.41 31.05 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.299 -0.876 . . . . 0.43 109.338 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -53.51 -37.89 63.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.307 -0.87 . . . . 1.69 109.783 -179.674 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.95 -49.84 70.99 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.319 -0.863 . . . . 0.43 110.46 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.05 -43.15 95.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.026 -1.046 . . . . 0.27 109.13 -179.56 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -50.62 -44.61 57.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.127 -0.983 . . . . 2.45 109.473 179.955 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.468 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 tp10 -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.182 -0.949 . . . . 1.75 109.725 -179.935 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.96 -45.0 96.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.33 -0.856 . . . . 0.31 109.292 -179.789 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.64 -50.18 74.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 1.22 109.421 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.403 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 92.8 mt-10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.333 -0.854 . . . . 1.73 109.836 -179.718 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.84 -58.33 8.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 0.28 110.25 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.3 -38.83 84.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.11 -0.994 . . . . 0.31 109.485 -179.49 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.65 73.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.052 -1.03 . . . . 1.91 108.886 179.238 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' C' ' 350' ' ' LEU . 2.7 tt -64.76 -52.34 57.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.539 -0.726 . . . . 0.43 109.054 179.794 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 31.1 ttmt -62.12 -47.01 86.51 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.384 -0.823 . . . . 1.57 109.013 179.775 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.87 -30.62 65.98 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.583 -0.698 . . . . 1.44 109.358 179.756 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.97 71.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.64 109.52 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -83.23 -26.1 31.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 1.21 109.323 179.828 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.77 -9.47 58.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.225 -0.922 . . . . 1.22 109.117 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.23 50.55 4.39 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.613 -1.395 . . . . 1.5 109.613 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' D' ' 358' ' ' GLU . 26.0 ttpp -83.99 175.5 9.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.19 -1.182 . . . . 4.18 109.052 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.433 ' H ' ' CG ' ' D' ' 357' ' ' LYS . 80.2 mm-40 -42.4 106.2 0.45 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.523 -0.736 . . . . 5.67 109.952 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -63.56 144.83 90.99 Favored 'Trans proline' 0 C--O 1.215 -0.674 0 C-N-CA 120.703 0.935 . . . . 5.65 109.82 -179.596 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 118.024 -1.431 . . . . 7.27 109.559 179.91 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.445 -0.576 . . . . 7.33 109.445 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt 54.41 -101.37 0.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.457 -0.777 . . . . 7.21 110.008 -179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 51.2 pttt 37.8 64.29 3.18 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.763 -0.585 . . . . 6.47 110.643 -179.417 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.1 Cg_endo -63.4 93.4 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 121.448 1.432 . . . . 4.53 110.708 -179.482 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.27 23.0 0.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.603 -0.888 . . . . 4.35 108.603 179.068 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 322' ' ' PRO . 0.9 OUTLIER -78.95 -77.37 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.702 -0.624 . . . . 2.48 110.346 -179.045 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.451 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -65.62 125.47 28.57 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.873 -1.291 . . . . 0.98 109.873 -179.15 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.16 140.11 58.44 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.866 -0.785 . . . . 1.7 109.68 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -94.09 149.72 20.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.278 -0.889 . . . . 0.61 108.988 179.61 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.43 -169.54 2.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.193 -0.942 . . . . 0.58 109.546 -179.633 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.21 150.9 31.14 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.271 -1.011 . . . . 0.42 108.271 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -144.07 133.5 23.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.29 -0.881 . . . . 0.36 109.859 -178.368 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.53 128.01 34.36 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.553 -0.906 . . . . 1.37 108.553 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.7 mt -123.23 112.92 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.33 -0.856 . . . . 0.47 109.082 -179.479 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.577 HH21 ' H ' ' C' ' 325' ' ' GLY . 33.2 ttt-85 -74.45 153.61 39.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.537 -0.727 . . . . 2.1 109.635 -179.788 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.71 130.04 1.17 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.949 -1.26 . . . . 0.42 109.949 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.32 -43.6 32.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.398 -1.06 . . . . 2.68 109.286 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.87 -44.93 82.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.232 -0.917 . . . . 2.22 108.936 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -64.01 -42.22 97.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.377 -0.827 . . . . 2.77 109.234 179.684 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.46 -55.78 25.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.611 -0.68 . . . . 0.43 109.639 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.89 -40.42 60.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.66 109.722 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.18 -51.12 67.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.339 -0.851 . . . . 0.44 110.08 -179.434 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.2 -48.39 81.72 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.189 -0.944 . . . . 0.29 109.086 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.13 -41.59 60.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 2.44 109.547 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.07 -47.79 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.197 -0.939 . . . . 1.74 109.622 -179.639 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.9 -34.86 75.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.178 -0.951 . . . . 0.3 108.636 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.1 -57.85 11.25 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.441 -0.787 . . . . 1.22 109.477 179.559 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.47 -34.78 78.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 1.72 110.118 -179.736 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.12 -56.38 22.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.27 110.145 -179.21 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.93 -42.85 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.093 -1.004 . . . . 0.29 109.513 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.99 -35.1 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.91 . . . . 1.91 109.174 179.639 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.62 -48.63 74.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 0.41 109.562 -179.882 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.04 -40.4 97.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.371 -0.831 . . . . 1.56 108.864 179.553 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -56.28 -34.18 66.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.626 -0.671 . . . . 1.43 109.452 179.645 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.51 77.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.826 . . . . 0.66 109.863 -179.908 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.85 -4.53 55.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 1.18 109.532 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.38 -88.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.189 -0.944 . . . . 1.23 109.314 179.784 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.56 101.7 1.42 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.466 -1.453 . . . . 1.54 109.466 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.2 141.38 29.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.281 -1.129 . . . . 4.18 109.417 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -47.71 110.35 1.34 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.456 -0.778 . . . . 5.71 109.355 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.69 141.94 96.42 Favored 'Trans proline' 0 C--O 1.216 -0.614 0 C-N-CA 120.73 0.953 . . . . 5.61 110.2 -179.71 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.354 -1.498 . . . . 7.24 109.354 179.874 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.407 -0.59 . . . . 7.34 109.407 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' B' ' 321' ' ' LYS . 59.9 mmtt 54.53 -101.53 0.13 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.411 -0.805 . . . . 7.17 109.965 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 320' ' ' LYS . 51.1 pttt 37.97 64.21 3.31 Favored Pre-proline 0 N--CA 1.502 2.147 0 O-C-N 121.786 -0.571 . . . . 6.44 110.577 -179.501 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.1 Cg_endo -63.42 93.54 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.336 1.357 . . . . 4.54 110.744 -179.5 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.31 22.89 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.59 -0.892 . . . . 4.32 108.59 179.119 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' B' ' 322' ' ' PRO . 0.9 OUTLIER -78.86 -78.98 0.14 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.714 -0.616 . . . . 2.47 110.119 -179.155 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.575 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -63.23 125.32 33.88 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 110.035 -1.226 . . . . 0.95 110.035 -179.41 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.41 140.25 58.56 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.715 -0.873 . . . . 1.61 109.716 179.74 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -93.97 149.84 20.88 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.265 -0.897 . . . . 0.57 109.088 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.66 -169.58 2.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.323 -0.861 . . . . 0.53 109.548 -179.605 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -151.31 150.6 30.72 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.25 -1.019 . . . . 0.38 108.25 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.8 tp -143.81 133.5 23.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.233 -0.917 . . . . 0.36 109.883 -178.404 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -84.38 127.99 34.32 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.641 -0.874 . . . . 1.36 108.641 179.091 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.29 112.88 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.36 -0.838 . . . . 0.49 109.066 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.531 HH21 ' H ' ' D' ' 325' ' ' GLY . 33.9 ttt-85 -74.36 153.57 39.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.461 -0.774 . . . . 2.1 109.713 -179.847 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.64 130.08 1.15 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.935 -1.266 . . . . 0.44 109.935 179.797 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.35 -43.59 32.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.42 -1.047 . . . . 2.72 109.279 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.93 -44.82 82.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.264 -0.897 . . . . 2.21 108.934 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 2.79 109.238 179.67 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.42 -55.83 24.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.58 -0.7 . . . . 0.45 109.631 -179.962 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.88 -40.44 60.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.68 109.75 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.2 -51.02 68.0 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.329 -0.857 . . . . 0.43 110.155 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -48.41 81.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.191 -0.943 . . . . 0.28 109.038 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -51.08 -41.73 60.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 2.52 109.568 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.94 -47.91 83.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.129 -0.982 . . . . 1.75 109.658 -179.688 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.83 -34.88 75.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.31 108.664 179.673 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -59.16 -57.73 11.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.39 -0.819 . . . . 1.21 109.439 179.599 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.66 -34.6 78.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.356 -0.84 . . . . 1.69 110.103 -179.673 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.18 -56.42 22.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.27 110.122 -179.272 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.87 -42.68 98.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 0.3 109.61 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.14 -35.07 74.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.131 -0.981 . . . . 1.93 109.159 179.666 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.5 -48.72 74.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.378 -0.826 . . . . 0.4 109.435 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.12 -40.36 97.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 1.59 108.901 179.647 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -56.32 -34.14 66.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.585 -0.697 . . . . 1.43 109.385 179.637 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -43.48 77.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.3 -0.875 . . . . 0.65 109.891 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.86 -4.58 55.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 1.19 109.557 -179.843 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -88.8 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 1.22 109.317 179.765 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.48 101.62 1.41 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.469 -1.452 . . . . 1.53 109.469 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.21 141.43 29.33 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.28 -1.129 . . . . 4.21 109.421 179.993 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -47.69 110.32 1.33 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.415 -0.803 . . . . 5.68 109.385 179.92 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.67 141.98 96.56 Favored 'Trans proline' 0 C--O 1.215 -0.627 0 C-N-CA 120.708 0.939 . . . . 5.57 110.147 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.412 -1.475 . . . . 7.2 109.412 179.82 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.441 -0.577 . . . . 8.96 109.441 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' C' ' 321' ' ' LYS . 60.0 mmtt 54.45 -101.48 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.466 -0.772 . . . . 8.15 109.976 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' C' ' 320' ' ' LYS . 51.2 pttt 37.9 64.22 3.26 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.807 -0.558 . . . . 7.15 110.632 -179.429 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.1 Cg_endo -63.35 93.47 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.381 1.387 . . . . 4.35 110.766 -179.51 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.31 22.95 0.63 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.625 -0.88 . . . . 4.63 108.625 179.074 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' C' ' 322' ' ' PRO . 0.9 OUTLIER -78.9 -77.92 0.16 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.631 -0.668 . . . . 2.85 110.373 -179.172 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.577 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -64.84 125.42 30.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.876 -1.29 . . . . 1.12 109.876 -179.232 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.16 140.21 58.44 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.822 -0.81 . . . . 2.11 109.653 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -94.05 149.65 21.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.256 -0.902 . . . . 0.64 109.087 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.37 -169.46 2.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -0.878 . . . . 0.49 109.524 -179.625 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.38 150.49 30.53 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.374 -0.973 . . . . 0.47 108.374 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.7 tp -143.77 133.5 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.286 -0.884 . . . . 0.42 109.919 -178.361 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -84.42 127.99 34.33 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.539 -0.912 . . . . 1.81 108.539 179.179 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.28 113.1 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.38 -0.825 . . . . 0.42 109.022 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.451 HH21 ' H ' ' A' ' 325' ' ' GLY . 34.1 ttt-85 -74.64 153.71 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.532 -0.73 . . . . 2.35 109.578 -179.773 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.68 130.03 1.16 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.929 -1.268 . . . . 0.41 109.929 179.747 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.28 -43.6 32.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 2.59 109.341 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.93 -44.67 82.69 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.241 -0.912 . . . . 2.54 108.98 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.284 -0.885 . . . . 3.39 109.157 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.44 -55.83 24.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.567 -0.708 . . . . 0.47 109.564 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.91 -40.47 60.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -0.849 . . . . 1.66 109.718 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.191 -0.943 . . . . 0.61 110.122 -179.497 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.24 -48.35 81.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.143 -0.973 . . . . 0.33 109.039 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.13 -41.73 60.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 3.28 109.555 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.97 -47.86 83.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 1.78 109.666 -179.654 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.83 -34.92 75.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.211 -0.931 . . . . 0.38 108.636 179.619 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.18 -57.74 11.69 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.476 -0.765 . . . . 1.2 109.484 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.65 -34.58 78.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.826 . . . . 2.12 110.137 -179.754 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.13 -56.45 21.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.26 110.178 -179.298 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.84 -42.88 98.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.095 -1.003 . . . . 0.4 109.481 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.98 -35.09 74.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 2.09 109.162 179.682 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -48.66 74.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.898 . . . . 0.75 109.415 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.0 -40.53 98.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 2.19 108.894 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.23 -34.15 66.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.574 -0.703 . . . . 1.34 109.446 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.59 76.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.72 109.781 -179.864 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.82 -4.56 55.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.316 -0.865 . . . . 1.8 109.523 -179.779 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -88.9 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.39 109.321 179.765 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.49 101.68 1.41 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.586 -1.406 . . . . 1.66 109.586 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.1 141.35 29.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.245 -1.15 . . . . 4.45 109.467 -179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -47.74 110.31 1.34 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 6.19 109.33 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.66 141.84 96.2 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 120.765 0.976 . . . . 5.58 110.161 -179.72 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.419 -1.472 . . . . 6.9 109.419 179.839 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.37 -0.604 . . . . 7.36 109.37 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' D' ' 321' ' ' LYS . 60.1 mmtt 54.65 -101.46 0.13 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.458 -0.777 . . . . 7.15 110.012 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' D' ' 320' ' ' LYS . 51.2 pttt 37.86 64.25 3.23 Favored Pre-proline 0 N--CA 1.503 2.204 0 O-C-N 121.798 -0.564 . . . . 6.5 110.567 -179.488 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.1 Cg_endo -63.36 93.49 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.098 0 C-N-CA 121.384 1.389 . . . . 4.5 110.674 -179.503 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.42 23.02 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.568 -0.901 . . . . 4.32 108.568 179.058 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' D' ' 322' ' ' PRO . 0.9 OUTLIER -78.95 -77.95 0.16 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.762 -0.586 . . . . 2.46 110.3 -179.165 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.531 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -64.77 125.39 30.58 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.94 -1.264 . . . . 0.97 109.94 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.22 140.23 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.723 -0.869 . . . . 1.67 109.646 -179.984 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -94.01 149.92 20.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.61 109.034 179.535 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.74 -169.6 2.58 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.332 -0.855 . . . . 0.56 109.54 -179.627 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.28 150.57 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.341 -0.985 . . . . 0.43 108.341 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -143.82 133.53 23.74 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.35 109.909 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.39 127.89 34.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.612 -0.885 . . . . 1.37 108.612 179.139 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.2 mt -123.23 112.91 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -0.795 . . . . 0.48 109.11 -179.505 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.575 HH21 ' H ' ' B' ' 325' ' ' GLY . 33.1 ttt-85 -74.33 153.7 39.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.521 -0.737 . . . . 2.08 109.758 -179.843 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 130.12 1.13 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.989 -1.245 . . . . 0.4 109.989 179.831 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.39 -43.45 32.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.356 -1.085 . . . . 2.64 109.333 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.9 -45.06 82.85 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.173 -0.954 . . . . 2.22 108.914 179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.87 -42.26 97.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.419 -0.8 . . . . 2.74 109.278 179.654 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -54.43 -55.83 24.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.608 -0.683 . . . . 0.43 109.561 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.94 -40.43 60.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.368 -0.833 . . . . 1.69 109.752 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.13 -51.06 67.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.43 110.177 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.971 . . . . 0.27 109.005 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.16 -41.64 60.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -0.848 . . . . 2.45 109.498 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.02 -47.86 83.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 1.75 109.64 -179.667 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.78 -34.94 75.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 0.31 108.68 179.624 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -59.12 -57.69 11.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.5 -0.75 . . . . 1.22 109.509 179.547 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.58 -35.01 79.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.73 110.101 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -56.82 -56.44 21.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.925 . . . . 0.28 110.226 -179.348 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.91 -42.82 98.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.31 109.54 -179.692 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.99 -35.14 74.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.93 . . . . 1.91 109.17 179.629 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.59 -48.65 74.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.865 . . . . 0.43 109.599 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.09 -40.33 97.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.57 108.867 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.23 -34.28 66.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.512 -0.742 . . . . 1.44 109.4 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.54 77.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 0.64 109.824 -179.876 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.88 -4.44 54.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 1.21 109.619 -179.827 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.39 -88.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 1.22 109.312 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.54 101.76 1.43 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.533 -1.427 . . . . 1.5 109.533 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.26 141.41 29.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.283 -1.127 . . . . 4.18 109.459 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -47.77 110.33 1.35 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 5.67 109.364 -179.995 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.62 141.99 96.67 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 C-N-CA 120.755 0.97 . . . . 5.65 110.133 -179.701 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.436 -1.466 . . . . 7.27 109.436 179.833 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 320' ' ' LYS . 54.4 mttp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.391 -0.596 . . . . 7.33 109.391 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 319' ' ' LYS . 70.5 tttt 57.58 109.04 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 7.21 109.719 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 57.07 77.51 0.41 Allowed Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 6.47 109.272 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.8 -32.74 92.64 Favored 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.424 1.416 . . . . 4.53 110.196 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.99 97.2 7.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.267 -0.896 . . . . 4.35 108.762 179.451 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.521 ' CB ' ' HE ' ' C' ' 333' ' ' ARG . 2.7 m-20 -81.45 -148.14 0.07 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 2.48 109.958 -179.449 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 176.34 29.73 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.737 -1.345 . . . . 0.98 109.737 -179.775 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.39 137.14 58.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.39 -1.065 . . . . 1.7 109.653 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.436 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 36.2 m-85 -96.37 152.81 18.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.319 -0.863 . . . . 0.61 109.599 179.84 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.53 133.45 30.85 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.484 -0.932 . . . . 0.58 108.484 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -92.82 165.17 13.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.403 -0.81 . . . . 0.42 109.317 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.67 130.88 15.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.243 -0.911 . . . . 0.36 109.659 -179.714 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.31 129.72 34.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.453 -0.779 . . . . 1.37 109.432 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -124.21 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.572 -0.705 . . . . 0.47 109.313 -179.854 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.502 ' HE ' ' CB ' ' C' ' 324' ' ' ASP . 0.3 OUTLIER -74.82 125.42 28.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 2.1 109.521 179.886 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.7 136.55 5.98 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 110.099 -1.2 . . . . 0.42 110.099 179.174 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.4 -50.26 12.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.39 -1.065 . . . . 2.68 108.99 179.603 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.39 -39.61 76.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.22 108.808 179.509 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.624 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.18 84.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.308 -0.87 . . . . 2.77 109.375 179.739 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.78 -58.01 9.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.672 -0.642 . . . . 0.43 109.888 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.28 -39.69 46.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.354 -0.841 . . . . 1.66 110.12 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.18 -54.61 30.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.064 -1.023 . . . . 0.44 110.427 -179.205 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.12 -46.33 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.013 -1.055 . . . . 0.29 108.962 -179.684 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.47 -42.19 54.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.236 -0.915 . . . . 2.44 109.327 179.787 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -60.08 -54.12 49.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 1.74 109.943 -179.616 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.04 -39.39 85.75 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.148 -0.97 . . . . 0.3 108.691 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.412 ' O ' ' CD ' ' A' ' 349' ' ' GLU . 21.0 t-20 -58.35 -57.08 14.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.36 -0.838 . . . . 1.22 109.37 179.572 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.04 -33.88 71.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 1.72 109.826 -179.7 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.39 -48.04 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.27 109.727 -179.846 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -50.14 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.371 -0.83 . . . . 0.29 109.857 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 345' ' ' ASN . 3.3 mp0 -58.03 -33.19 68.72 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.124 -0.985 . . . . 1.91 109.434 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.91 -52.92 53.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.41 109.075 179.825 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.8 -45.4 94.02 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.37 -0.831 . . . . 1.56 108.948 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.627 -0.671 . . . . 1.43 109.38 179.645 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -27.94 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 0.66 109.281 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.88 -20.32 30.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 1.18 109.415 179.857 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -22.0 60.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.252 -0.905 . . . . 1.23 109.335 179.84 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -7.8 81.35 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.446 -1.461 . . . . 1.54 109.446 179.971 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.06 33.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -1.155 . . . . 4.18 109.393 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.43 151.34 3.95 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.388 -0.82 . . . . 5.71 109.463 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.2 -81.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.25 1.3 . . . . 5.61 110.051 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 118.012 -1.438 . . . . 7.24 109.56 -179.735 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' B' ' 320' ' ' LYS . 54.3 mttp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.5 -0.555 . . . . 7.34 109.5 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' B' ' 319' ' ' LYS . 70.6 tttt 57.53 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.377 -0.827 . . . . 7.17 109.678 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 57.11 77.42 0.42 Allowed Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 121.369 -0.832 . . . . 6.44 109.273 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.62 -32.79 91.57 Favored 'Trans proline' 0 C--N 1.323 -0.808 0 C-N-CA 121.43 1.42 . . . . 4.54 110.305 -179.198 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -82.07 97.21 8.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.234 -0.916 . . . . 4.32 108.798 179.441 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.527 ' CB ' ' HE ' ' D' ' 333' ' ' ARG . 2.6 m-20 -81.53 -148.29 0.07 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 2.47 109.927 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.79 176.28 29.31 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.75 -1.34 . . . . 0.95 109.75 -179.741 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.21 137.09 58.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.334 -1.098 . . . . 1.61 109.624 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 36.6 m-85 -96.43 152.8 18.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.34 -0.85 . . . . 0.57 109.586 179.754 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.49 133.41 30.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.277 -0.889 . . . . 0.53 108.608 178.904 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -92.78 165.16 13.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.38 109.315 -179.85 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.69 130.82 15.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.36 109.668 -179.721 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.2 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.365 -0.834 . . . . 1.36 109.506 179.896 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.8 mt -124.24 107.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.601 -0.687 . . . . 0.49 109.379 -179.91 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.491 ' HE ' ' CB ' ' D' ' 324' ' ' ASP . 0.3 OUTLIER -74.82 125.36 28.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 2.1 109.522 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.74 136.4 5.94 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 110.068 -1.213 . . . . 0.44 110.068 179.181 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.35 -50.22 12.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -1.051 . . . . 2.72 108.992 179.631 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.45 -39.57 76.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.128 -0.983 . . . . 2.21 108.811 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.4 -41.27 84.52 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.298 -0.876 . . . . 2.79 109.383 179.671 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.78 -58.04 9.83 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.619 -0.675 . . . . 0.45 109.829 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.26 -39.77 45.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 1.68 110.06 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.2 -54.55 31.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.086 -1.008 . . . . 0.43 110.413 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.04 -46.36 91.02 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.117 -0.989 . . . . 0.28 108.976 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.46 -42.22 54.04 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.277 -0.889 . . . . 2.52 109.341 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.0 -54.26 48.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 1.75 109.905 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.96 -39.43 85.58 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.205 -0.934 . . . . 0.31 108.707 179.884 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.41 ' O ' ' CD ' ' B' ' 349' ' ' GLU . 20.9 t-20 -58.39 -56.97 15.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.322 -0.861 . . . . 1.21 109.373 179.57 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.18 -33.79 71.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.25 -0.906 . . . . 1.69 109.716 -179.703 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.52 -48.0 83.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.201 -0.937 . . . . 0.27 109.702 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.35 -49.92 73.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.3 109.896 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 345' ' ' ASN . 3.3 mp0 -58.15 -33.24 68.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.133 -0.979 . . . . 1.93 109.381 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.84 -53.07 52.48 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.183 -0.948 . . . . 0.4 109.023 179.8 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.66 -45.4 94.19 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.351 -0.843 . . . . 1.59 109.007 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.87 -35.75 66.85 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.617 -0.677 . . . . 1.43 109.325 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -27.91 67.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.65 109.328 179.964 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.84 -20.31 31.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 1.19 109.475 179.788 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.67 -22.02 60.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.269 -0.894 . . . . 1.22 109.33 179.802 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.54 -7.92 81.34 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.46 -1.456 . . . . 1.53 109.46 179.956 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.06 33.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.29 -1.123 . . . . 4.21 109.431 -179.874 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.35 151.31 3.87 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 5.68 109.407 -179.263 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.23 -81.07 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.184 1.256 . . . . 5.57 110.193 179.235 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.972 -1.46 . . . . 7.2 109.583 -179.819 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' C' ' 320' ' ' LYS . 54.5 mttp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.462 -0.57 . . . . 8.96 109.462 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' C' ' 319' ' ' LYS . 70.7 tttt 57.54 109.04 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.34 -0.85 . . . . 8.15 109.772 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 35.0 tttm 57.17 77.51 0.41 Allowed Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.404 -0.81 . . . . 7.15 109.242 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.78 -32.84 92.83 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.469 1.446 . . . . 4.35 110.221 -179.138 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.86 97.21 7.91 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 4.63 108.783 179.418 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.502 ' CB ' ' HE ' ' A' ' 333' ' ' ARG . 2.7 m-20 -81.5 -148.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.507 -0.746 . . . . 2.85 109.981 -179.488 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.86 176.2 29.75 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.78 -1.328 . . . . 1.12 109.78 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.22 137.16 58.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.11 . . . . 2.11 109.688 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 36.2 m-85 -96.47 152.71 18.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.268 -0.895 . . . . 0.64 109.63 179.841 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.39 133.32 30.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.925 . . . . 0.49 108.592 179.021 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.3 p -92.65 165.01 13.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.408 -0.808 . . . . 0.47 109.385 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.6 130.95 15.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.363 -0.836 . . . . 0.42 109.65 -179.766 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.33 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.745 . . . . 1.81 109.446 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.8 mt -124.31 107.52 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 121.572 -0.705 . . . . 0.42 109.31 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.521 ' HE ' ' CB ' ' A' ' 324' ' ' ASP . 0.3 OUTLIER -74.97 125.47 28.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.811 . . . . 2.35 109.461 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.45 5.99 Favored Glycine 0 N--CA 1.501 3.019 0 N-CA-C 110.104 -1.198 . . . . 0.41 110.104 179.167 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.18 12.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.497 -1.002 . . . . 2.59 109.037 179.675 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' C' ' 336' ' ' GLU . 1.5 mp0 -57.47 -39.64 76.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 2.54 108.749 179.516 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.623 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.37 -41.31 84.46 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.211 -0.931 . . . . 3.39 109.374 179.733 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -56.65 -58.05 9.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.645 -0.659 . . . . 0.47 109.902 -179.801 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.32 -39.73 46.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.331 -0.856 . . . . 1.66 109.989 -179.474 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.16 -54.61 31.07 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.134 -0.979 . . . . 0.61 110.387 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.13 -46.38 90.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.03 -1.044 . . . . 0.33 108.907 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.32 -42.26 52.42 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.283 -0.886 . . . . 3.28 109.347 179.73 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -60.02 -54.24 48.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 1.78 109.838 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.191 -0.943 . . . . 0.38 108.752 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.402 ' O ' ' CD ' ' C' ' 349' ' ' GLU . 21.0 t-20 -58.4 -57.0 14.83 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 1.2 109.386 179.474 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.13 -33.79 71.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.12 109.77 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.64 -47.83 84.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.26 109.671 -179.724 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.42 -49.9 73.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.4 109.92 -179.783 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' C' ' 345' ' ' ASN . 3.3 mp0 -58.16 -33.23 68.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.098 -1.001 . . . . 2.09 109.408 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.91 -53.01 53.27 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.12 -0.988 . . . . 0.75 109.026 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.77 -45.3 94.47 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.425 -0.797 . . . . 2.19 108.995 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.85 -35.8 66.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.578 -0.702 . . . . 1.34 109.337 179.636 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -27.93 67.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 0.72 109.3 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.86 -20.33 30.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.165 -0.959 . . . . 1.8 109.417 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.03 60.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 1.39 109.322 179.828 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.8 81.39 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.482 -1.447 . . . . 1.66 109.482 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.08 33.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.23 -1.159 . . . . 4.45 109.421 -179.913 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.39 151.4 3.86 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 6.19 109.424 -179.299 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.41 -81.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 121.199 1.266 . . . . 5.58 110.1 179.364 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.94 -1.478 . . . . 6.9 109.521 -179.834 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 320' ' ' LYS . 54.4 mttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.494 -0.558 . . . . 7.36 109.494 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 319' ' ' LYS . 70.5 tttt 57.47 109.02 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 7.15 109.799 179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 35.0 tttm 57.19 77.48 0.41 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.484 -0.76 . . . . 6.5 109.209 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -56.77 -32.83 92.69 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.475 1.45 . . . . 4.5 110.248 -179.174 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.0 mt -81.88 97.2 7.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.93 . . . . 4.32 108.817 179.372 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.491 ' CB ' ' HE ' ' B' ' 333' ' ' ARG . 2.6 m-20 -81.44 -148.26 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.769 . . . . 2.46 109.916 -179.466 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.86 176.16 29.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.823 -1.311 . . . . 0.97 109.823 -179.798 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.15 137.15 58.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -1.099 . . . . 1.67 109.696 -179.983 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 36.8 m-85 -96.49 152.7 18.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.61 109.613 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.43 133.37 30.9 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.57 -0.9 . . . . 0.56 108.57 178.978 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.5 p -92.72 165.1 13.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.433 -0.792 . . . . 0.43 109.294 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.59 130.9 15.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.35 109.62 -179.681 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.39 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.37 109.43 179.883 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.7 mt -124.24 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.542 -0.724 . . . . 0.48 109.333 -179.863 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.527 ' HE ' ' CB ' ' B' ' 324' ' ' ASP . 0.3 OUTLIER -74.86 125.39 28.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 2.08 109.531 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.55 136.5 6.0 Favored Glycine 0 N--CA 1.501 3.023 0 N-CA-C 110.121 -1.191 . . . . 0.4 110.121 179.166 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.3 12.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -1.05 . . . . 2.64 108.969 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.39 -39.61 76.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.201 -0.937 . . . . 2.22 108.798 179.556 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.621 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.15 84.5 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.189 -0.944 . . . . 2.74 109.412 179.69 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -56.83 -58.03 9.88 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.695 -0.628 . . . . 0.43 109.818 -179.785 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.3 -39.68 46.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.326 -0.859 . . . . 1.69 110.037 -179.493 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.5 ttp -64.24 -54.49 32.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.047 -1.033 . . . . 0.43 110.443 -179.196 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.25 -46.17 91.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.097 -1.002 . . . . 0.27 108.955 -179.691 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.54 -42.14 54.89 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.353 -0.842 . . . . 2.45 109.33 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.16 -54.11 49.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.935 . . . . 1.75 109.885 -179.548 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.07 -39.42 85.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.191 -0.943 . . . . 0.31 108.688 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.401 ' O ' ' CD ' ' D' ' 349' ' ' GLU . 20.9 t-20 -58.37 -56.99 14.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.292 -0.88 . . . . 1.22 109.314 179.6 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.26 -33.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 1.73 109.8 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.58 -47.91 83.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.179 -0.95 . . . . 0.28 109.686 -179.798 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.38 -49.96 73.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.45 -0.782 . . . . 0.31 109.882 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' D' ' 345' ' ' ASN . 3.3 mp0 -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.093 -1.005 . . . . 1.91 109.374 -179.625 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.86 -52.99 53.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.172 -0.955 . . . . 0.43 109.076 179.843 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.78 -45.27 94.62 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.847 . . . . 1.57 109.029 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -55.98 -35.74 67.08 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.49 -0.756 . . . . 1.44 109.36 179.674 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.88 67.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.64 109.265 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -84.82 -20.33 31.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.21 109.454 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.68 -21.95 60.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.256 -0.902 . . . . 1.22 109.329 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -7.85 81.42 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.479 -1.448 . . . . 1.5 109.479 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 124.94 33.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.304 -1.115 . . . . 4.18 109.462 -179.873 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.36 151.38 3.84 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 5.67 109.418 -179.243 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.3 -81.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 121.145 1.23 . . . . 5.65 110.128 179.328 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.436 0 CA-C-O 117.967 -1.463 . . . . 7.27 109.537 -179.692 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.457 -0.571 . . . . 7.33 109.457 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 319' ' ' LYS . 18.0 mtpp 59.12 153.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 7.21 109.53 -179.836 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' A' ' 323' ' ' LEU . 63.7 mttm 52.11 69.82 2.24 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 6.47 109.485 -179.691 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.39 24.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 121.825 1.683 . . . . 4.53 110.583 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.548 ' H ' ' C ' ' A' ' 321' ' ' LYS . 4.1 mm? -79.9 11.72 3.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.943 -1.098 . . . . 4.35 109.408 -179.874 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.45 -150.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 2.48 109.306 179.858 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 147.37 46.58 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.423 -1.471 . . . . 0.98 109.423 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.67 142.31 53.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -1.106 . . . . 1.7 109.38 -179.941 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.66 153.5 18.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.61 109.297 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -139.63 -171.86 3.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.345 -0.847 . . . . 0.58 109.249 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -152.27 149.41 28.66 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.42 108.927 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.67 132.66 24.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.327 -0.858 . . . . 0.36 109.736 -178.844 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -85.47 128.36 34.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.831 -0.803 . . . . 1.37 108.831 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -124.12 118.36 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.54 -0.725 . . . . 0.47 109.492 -179.773 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.1 149.77 37.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.496 -0.753 . . . . 2.1 109.735 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 137.24 6.08 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.568 -1.013 . . . . 0.42 110.568 179.049 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.23 -54.45 5.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.446 -1.032 . . . . 2.68 109.227 179.548 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.72 -40.74 80.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.188 -0.945 . . . . 2.22 108.591 179.586 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -62.63 -44.76 95.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.357 -0.979 . . . . 2.77 108.357 179.248 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.23 -55.26 37.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.679 -0.638 . . . . 0.43 109.374 179.407 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.2 -35.19 25.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 1.66 109.893 -179.556 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.62 -52.29 63.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.087 -1.008 . . . . 0.44 109.804 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.54 -46.36 90.44 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.27 -0.894 . . . . 0.29 109.36 -179.922 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.23 -43.77 53.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.942 . . . . 2.44 109.214 179.717 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.8 -42.8 98.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.199 -0.938 . . . . 1.74 109.398 179.677 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.47 -48.26 80.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.268 -0.895 . . . . 0.3 109.202 179.78 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -57.56 -46.82 83.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.22 109.097 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.24 -40.01 92.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 1.72 109.041 179.664 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.67 -53.63 56.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.459 -0.776 . . . . 0.27 109.511 -179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.81 -43.52 98.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.361 -0.837 . . . . 0.29 109.144 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.12 -35.52 75.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.24 -0.913 . . . . 1.91 109.314 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.88 -50.23 69.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 0.41 109.411 -179.824 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.83 -46.91 85.73 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 1.56 109.04 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.98 66.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.509 -0.745 . . . . 1.43 109.544 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -46.13 74.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -0.914 . . . . 0.66 109.758 -179.75 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -80.98 -0.6 40.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.18 109.754 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.507 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.41 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 1.23 109.761 -179.88 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.86 15.39 0.5 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 110.12 -1.192 . . . . 1.54 110.12 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 355' ' ' ALA . 60.2 tttp -85.28 113.94 21.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.052 -1.264 . . . . 4.18 109.315 179.836 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.48 154.84 2.91 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 5.71 109.209 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -56.08 138.62 83.33 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.187 1.258 . . . . 5.61 110.192 179.612 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.43 -1.468 . . . . 7.24 109.43 179.677 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 320' ' ' LYS . 59.8 mttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.469 -0.567 . . . . 7.34 109.469 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 319' ' ' LYS . 18.1 mtpp 59.21 153.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.503 -0.748 . . . . 7.17 109.555 -179.83 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' B' ' 323' ' ' LEU . 63.6 mttm 52.08 69.97 2.16 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 6.44 109.449 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.64 25.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -0.988 0 C-N-CA 121.771 1.647 . . . . 4.54 110.522 -179.697 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' B' ' 321' ' ' LYS . 4.1 mm? -79.9 11.65 3.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.014 -1.054 . . . . 4.32 109.423 -179.967 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.42 -150.89 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 2.47 109.315 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 147.36 46.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.509 -1.436 . . . . 0.95 109.509 179.965 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.68 142.32 53.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -1.12 . . . . 1.61 109.431 179.977 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.6 153.49 18.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.57 109.302 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -139.72 -171.83 3.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.316 -0.865 . . . . 0.53 109.265 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.3 149.56 28.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.967 . . . . 0.38 108.868 -179.956 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.78 132.53 23.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.308 -0.87 . . . . 0.36 109.708 -178.757 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.37 128.34 34.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.84 -0.8 . . . . 1.36 108.84 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.17 118.15 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.458 -0.776 . . . . 0.49 109.562 -179.737 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.89 149.67 37.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.513 -0.742 . . . . 2.1 109.861 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 137.37 6.19 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.538 -1.025 . . . . 0.44 110.538 179.048 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.3 -54.42 5.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.388 -1.066 . . . . 2.72 109.318 179.426 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.71 -40.78 80.35 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.039 -1.038 . . . . 2.21 108.663 179.497 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.326 -0.99 . . . . 2.79 108.326 179.211 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.25 -55.3 36.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.646 -0.659 . . . . 0.45 109.38 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -50.25 -35.13 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.409 -0.807 . . . . 1.68 109.84 -179.453 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.64 -52.37 63.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.221 -0.924 . . . . 0.43 109.757 -179.615 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.228 -0.92 . . . . 0.28 109.365 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.31 -43.74 53.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 2.52 109.149 179.761 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.76 -42.81 98.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.324 -0.86 . . . . 1.75 109.376 179.691 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.54 -48.21 80.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.31 109.166 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.64 -46.77 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.141 -0.974 . . . . 1.21 109.007 179.683 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.27 -39.92 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 1.69 109.057 179.708 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -53.64 56.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.403 -0.811 . . . . 0.27 109.462 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.7 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.883 . . . . 0.3 109.15 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.99 -35.58 75.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 1.93 109.354 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.89 -50.27 69.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.4 109.336 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.85 -46.83 86.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 1.59 109.043 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.51 -31.92 66.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.509 -0.745 . . . . 1.43 109.438 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.12 73.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.65 109.676 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -81.06 -0.47 40.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.875 . . . . 1.19 109.649 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.55 -81.07 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 1.22 109.637 -179.863 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.75 15.37 0.48 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.173 -1.171 . . . . 1.53 110.173 -179.63 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' B' ' 355' ' ' ALA . 60.1 tttp -85.36 113.93 22.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.032 -1.275 . . . . 4.21 109.301 179.857 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.43 154.77 2.9 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 5.68 109.293 -179.673 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -56.05 138.7 83.47 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.142 1.228 . . . . 5.57 110.219 179.643 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.39 -1.484 . . . . 7.2 109.39 179.736 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' C' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.487 -0.56 . . . . 8.96 109.487 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' C' ' 319' ' ' LYS . 18.0 mtpp 59.12 153.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.421 -0.799 . . . . 8.15 109.488 -179.798 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' C ' ' H ' ' C' ' 323' ' ' LEU . 63.7 mttm 52.11 69.81 2.24 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.897 . . . . 7.15 109.446 -179.738 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.44 24.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 121.796 1.664 . . . . 4.35 110.633 -179.785 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' C' ' 321' ' ' LYS . 4.1 mm? -79.88 11.7 3.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.956 -1.09 . . . . 4.63 109.451 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.36 -150.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 2.85 109.29 179.859 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 147.44 46.9 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.445 -1.462 . . . . 1.12 109.445 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.89 142.28 53.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.387 -1.066 . . . . 2.11 109.389 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -92.62 153.54 18.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 0.64 109.329 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.67 -171.86 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 0.49 109.262 -179.832 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.23 149.64 28.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.88 . . . . 0.47 108.857 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.81 132.52 23.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 0.42 109.729 -178.822 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -85.34 128.35 34.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 1.81 108.914 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.7 mt -124.16 118.28 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.408 -0.808 . . . . 0.42 109.511 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.04 149.71 37.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 2.35 109.765 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 137.41 6.21 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.481 -1.047 . . . . 0.41 110.481 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.31 -54.52 4.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.341 -1.094 . . . . 2.59 109.26 179.44 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.64 -40.84 80.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.102 -0.999 . . . . 2.54 108.634 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.358 -0.979 . . . . 3.39 108.358 179.252 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.31 -55.31 36.44 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.384 0.612 . . . . 0.47 109.382 179.359 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -50.2 -35.19 25.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.821 . . . . 1.66 109.882 -179.494 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.67 -52.25 64.05 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.168 -0.958 . . . . 0.61 109.785 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.64 -46.25 91.01 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.25 -0.906 . . . . 0.33 109.293 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.33 -43.73 54.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 3.28 109.123 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.92 -42.69 98.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.316 -0.865 . . . . 1.78 109.372 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.46 -48.34 80.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.237 -0.914 . . . . 0.38 109.16 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.57 -46.84 83.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -0.972 . . . . 1.2 109.017 179.741 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 2.12 109.047 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -53.69 55.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.459 -0.776 . . . . 0.26 109.476 -179.932 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.7 -43.7 98.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.327 -0.858 . . . . 0.4 109.167 179.959 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.81 -35.68 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 2.09 109.311 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.82 -50.18 69.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.75 109.423 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.81 -47.0 85.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.397 -0.815 . . . . 2.19 108.987 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.43 -31.93 66.38 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.568 -0.708 . . . . 1.34 109.49 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.17 73.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.72 109.715 -179.653 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -80.96 -0.61 40.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 1.8 109.739 -179.751 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.46 -80.91 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 1.39 109.775 -179.873 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.79 15.34 0.49 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.076 -1.21 . . . . 1.66 110.076 -179.716 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' C' ' 355' ' ' ALA . 60.2 tttp -85.34 113.91 22.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.058 -1.26 . . . . 4.45 109.35 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.49 154.88 2.9 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 6.19 109.21 -179.612 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -56.08 138.61 83.28 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.18 1.253 . . . . 5.58 110.19 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 109.456 -1.457 . . . . 6.9 109.456 179.643 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' D' ' 320' ' ' LYS . 59.8 mttp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.422 -0.584 . . . . 7.36 109.422 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' D' ' 319' ' ' LYS . 18.0 mtpp 59.19 153.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.473 -0.767 . . . . 7.15 109.568 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' D' ' 323' ' ' LEU . 63.7 mttm 52.07 69.9 2.2 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 6.5 109.524 -179.644 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.49 24.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.321 -0.914 0 C-N-CA 121.809 1.673 . . . . 4.5 110.556 -179.69 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.544 ' H ' ' C ' ' D' ' 321' ' ' LYS . 4.1 mm? -79.97 11.78 3.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.887 -1.133 . . . . 4.32 109.389 -179.818 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.42 -150.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 2.46 109.293 179.86 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 147.35 46.57 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.506 -1.438 . . . . 0.97 109.506 -179.987 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.61 142.25 53.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -1.086 . . . . 1.67 109.473 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.55 153.55 18.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.61 109.393 179.792 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.72 -171.85 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.56 109.195 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -152.32 149.45 28.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.232 -0.917 . . . . 0.43 108.897 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.66 132.59 24.28 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.343 -0.848 . . . . 0.35 109.792 -178.799 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.4 128.38 34.7 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.84 -0.8 . . . . 1.37 108.84 179.368 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.21 118.19 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.499 -0.75 . . . . 0.48 109.488 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.88 149.73 37.73 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.509 -0.744 . . . . 2.08 109.815 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 137.4 6.14 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.486 -1.045 . . . . 0.4 110.486 178.994 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.29 -54.52 4.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.441 -1.035 . . . . 2.64 109.273 179.468 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.62 -40.83 80.07 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.051 -1.031 . . . . 2.22 108.631 179.478 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.64 95.78 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.401 -0.963 . . . . 2.74 108.401 179.223 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -57.32 -55.23 37.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.655 -0.653 . . . . 0.43 109.398 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.25 -35.05 25.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 1.69 109.905 -179.552 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.82 -52.27 63.8 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.43 109.726 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.56 -46.32 90.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.171 -0.956 . . . . 0.27 109.365 -179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.3 -43.7 53.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 2.45 109.177 179.769 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.83 -42.76 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 1.75 109.342 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.52 -48.18 80.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.31 109.231 179.768 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.63 -46.9 83.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.116 -0.99 . . . . 1.22 108.967 179.675 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.23 -39.97 92.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 1.73 109.042 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -53.63 56.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 0.28 109.518 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.62 -43.76 98.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.31 109.125 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.99 -35.58 75.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 1.91 109.338 179.906 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.8 -50.26 69.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 0.43 109.375 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.92 -46.92 85.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 1.57 109.033 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.88 66.32 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.632 -0.667 . . . . 1.44 109.497 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -46.14 73.85 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.64 109.746 -179.71 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -80.91 -0.67 40.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.176 -0.953 . . . . 1.21 109.692 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.51 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.158 -0.964 . . . . 1.22 109.689 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.73 15.28 0.48 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.205 -1.158 . . . . 1.5 110.205 -179.667 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' D' ' 355' ' ' ALA . 60.1 tttp -85.29 113.91 21.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.043 -1.269 . . . . 4.18 109.274 179.869 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.41 154.81 2.84 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.358 -0.838 . . . . 5.67 109.255 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -56.07 138.65 83.39 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 121.224 1.283 . . . . 5.65 110.218 179.56 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.391 -1.484 . . . . 7.27 109.391 179.753 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.457 -0.572 . . . . 7.33 109.457 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 53.36 -123.61 2.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.421 -0.8 . . . . 7.21 109.921 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 51.8 67.06 4.45 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 6.47 109.377 -179.413 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.0 1.07 2.09 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 121.475 1.45 . . . . 4.53 110.28 -179.48 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.62 87.58 6.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.961 -1.087 . . . . 4.35 109.647 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -86.01 -138.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.482 -0.761 . . . . 2.48 109.323 179.578 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.2 170.41 41.59 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.392 -1.483 . . . . 0.98 109.392 179.787 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.69 131.41 50.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.182 -1.187 . . . . 1.7 109.63 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -94.0 162.08 14.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.257 -0.902 . . . . 0.61 109.619 179.875 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.19 -171.73 3.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.275 -0.89 . . . . 0.58 109.347 179.699 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.64 144.51 24.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.205 -0.934 . . . . 0.42 109.08 -179.751 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.71 136.69 37.6 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.483 -0.761 . . . . 0.36 110.158 -178.702 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' C' ' 327' ' ' TYR . 56.8 tt0 -86.04 130.74 34.44 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.906 -0.775 . . . . 1.37 108.906 179.155 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.45 117.39 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.491 -0.755 . . . . 0.47 109.247 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.33 151.5 39.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.578 -0.702 . . . . 2.1 109.746 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.44 135.27 3.03 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.434 -1.067 . . . . 0.42 110.434 179.094 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.91 -50.55 10.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.482 -1.011 . . . . 2.68 109.288 179.612 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.76 -35.42 72.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.118 -0.989 . . . . 2.22 108.774 179.873 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.525 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 10.0 tpp180 -65.4 -41.46 93.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.277 -0.889 . . . . 2.77 109.004 179.581 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -55.37 -53.02 61.41 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.501 -0.749 . . . . 0.43 109.941 -179.918 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.36 55.71 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 1.66 110.005 -179.55 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.32 -51.85 64.3 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.243 -0.911 . . . . 0.44 110.317 -179.3 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.94 -47.12 87.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.255 -0.903 . . . . 0.29 109.289 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.39 -43.75 54.66 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.22 -0.925 . . . . 2.44 109.34 179.835 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.29 93.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.213 -0.929 . . . . 1.74 109.524 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.46 -47.61 83.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 0.3 109.233 179.857 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.29 -47.51 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.193 -0.942 . . . . 1.22 109.476 179.827 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.15 -36.61 80.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.822 . . . . 1.72 109.395 -179.947 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -46.67 88.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.27 109.201 179.88 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.495 HD22 ' NH1' ' C' ' 337' ' ' ARG . 44.0 mt -62.58 -48.22 80.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.485 -0.759 . . . . 0.29 109.463 179.758 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.64 -34.59 72.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 1.91 109.431 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.63 -49.07 72.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.401 -0.812 . . . . 0.41 109.339 -179.779 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.285 -0.884 . . . . 1.56 108.916 179.495 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.37 -33.06 69.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.581 -0.699 . . . . 1.43 109.557 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -45.36 77.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.66 109.658 -179.667 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -81.53 -6.49 59.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.874 . . . . 1.18 109.546 -179.877 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.73 61.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.23 109.632 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -9.74 77.93 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.653 -1.379 . . . . 1.54 109.653 -179.938 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.6 100.63 12.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -1.15 . . . . 4.18 109.501 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.628 ' H ' ' CD ' ' A' ' 358' ' ' GLU . 1.7 pm0 -51.34 150.48 6.24 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 5.71 109.355 -179.708 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.05 140.48 92.74 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 121.021 1.147 . . . . 5.61 110.052 179.456 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.446 -1.462 . . . . 7.24 109.446 179.776 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.424 -0.584 . . . . 7.34 109.424 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 53.33 -123.58 2.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 7.17 109.956 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 51.73 67.21 4.33 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.934 . . . . 6.44 109.389 -179.414 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.23 1.18 2.14 Favored 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 121.512 1.475 . . . . 4.54 110.254 -179.391 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.7 87.57 6.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.021 -1.05 . . . . 4.32 109.677 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.97 -138.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.738 . . . . 2.47 109.327 179.558 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.17 170.43 41.46 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.4 -1.48 . . . . 0.95 109.4 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' D' ' 335' ' ' ARG . 48.5 mt-10 -59.74 131.4 50.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.215 -1.168 . . . . 1.61 109.602 -179.927 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.99 162.12 14.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.223 -0.923 . . . . 0.57 109.583 179.873 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.12 -171.71 3.25 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.328 -0.857 . . . . 0.53 109.414 179.711 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.81 144.36 24.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.151 -0.968 . . . . 0.38 109.133 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 63.8 tp -137.5 136.85 38.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.4 -0.812 . . . . 0.36 110.251 -178.666 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.21 130.66 34.45 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.934 -0.765 . . . . 1.36 108.934 179.172 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.32 117.46 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.459 -0.775 . . . . 0.49 109.244 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.5 151.53 39.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.526 -0.734 . . . . 2.1 109.704 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.51 135.28 3.07 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.385 -1.086 . . . . 0.44 110.385 179.072 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -79.98 -50.52 10.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.442 -1.034 . . . . 2.72 109.331 179.556 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.79 -35.3 72.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 2.21 108.834 179.857 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.537 ' H ' ' CD ' ' B' ' 336' ' ' GLU . 10.0 tpp180 -65.42 -41.51 93.48 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.263 -0.898 . . . . 2.79 108.985 179.52 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.27 -53.14 59.89 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.498 -0.752 . . . . 0.45 109.902 -179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.37 55.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 1.68 109.989 -179.436 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.272 -0.893 . . . . 0.43 110.367 -179.325 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.02 -47.14 87.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.103 -0.998 . . . . 0.28 109.295 -179.797 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.42 -43.69 54.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.287 -0.883 . . . . 2.52 109.348 179.836 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.35 -45.26 94.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.75 109.597 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.48 -47.55 83.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.31 109.234 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -58.39 -47.39 84.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.161 -0.962 . . . . 1.21 109.432 179.876 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.24 -36.6 80.41 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 1.69 109.339 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.04 -46.71 88.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.27 109.159 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.469 HD22 ' NH1' ' D' ' 337' ' ' ARG . 44.4 mt -62.56 -48.36 79.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.486 -0.759 . . . . 0.3 109.445 179.801 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.54 -34.48 72.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.327 -0.858 . . . . 1.93 109.53 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.5 tp -64.62 -49.14 72.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.284 -0.885 . . . . 0.4 109.368 -179.902 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -47.99 77.19 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.363 -0.836 . . . . 1.59 108.919 179.464 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.27 -33.17 69.11 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.671 -0.643 . . . . 1.43 109.617 179.757 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.3 78.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.332 -0.855 . . . . 0.65 109.757 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -81.58 -6.5 59.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 1.19 109.53 -179.894 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.88 -24.84 61.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.22 109.633 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.51 -9.81 78.14 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.7 -1.36 . . . . 1.53 109.7 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.56 100.64 12.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.237 -1.154 . . . . 4.21 109.474 -179.945 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' B' ' 358' ' ' GLU . 1.7 pm0 -51.38 150.5 6.3 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.253 -0.905 . . . . 5.68 109.338 -179.727 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.08 140.44 92.69 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 121.041 1.161 . . . . 5.57 110.059 179.511 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.972 -1.46 . . . . 7.2 109.485 179.782 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.31 0.576 . . . . 8.96 109.465 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 53.37 -123.59 2.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.378 -0.826 . . . . 8.15 109.851 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 51.8 67.08 4.43 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 7.15 109.367 -179.406 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.04 1.05 2.13 Favored 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.546 1.497 . . . . 4.35 110.344 -179.492 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.6 87.66 6.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.935 -1.103 . . . . 4.63 109.646 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -86.05 -138.8 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.705 . . . . 2.85 109.295 179.58 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.19 170.51 41.36 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.418 -1.473 . . . . 1.12 109.418 179.774 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.88 131.36 50.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.231 -1.158 . . . . 2.11 109.628 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.414 ' HB3' HE21 ' A' ' 331' ' ' GLN . 76.2 m-85 -93.89 162.06 14.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.289 -0.882 . . . . 0.64 109.685 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -140.14 -171.66 3.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.291 -0.881 . . . . 0.49 109.336 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.7 144.49 24.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.14 -0.975 . . . . 0.47 109.025 -179.778 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -137.64 136.86 37.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.427 -0.796 . . . . 0.42 110.115 -178.71 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.23 130.71 34.43 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.896 -0.779 . . . . 1.81 108.896 179.163 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.37 117.4 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.42 109.225 -179.935 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -74.4 151.59 39.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.639 -0.663 . . . . 2.35 109.669 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.41 135.26 3.02 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.471 -1.051 . . . . 0.41 110.471 179.103 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -79.95 -50.44 10.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.068 . . . . 2.59 109.368 179.522 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.85 -35.3 72.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 2.54 108.799 179.846 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.534 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 tpp180 -65.47 -41.5 93.28 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.217 -0.927 . . . . 3.39 108.929 179.599 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.33 -53.05 61.07 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.568 -0.707 . . . . 0.47 109.957 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.34 -37.27 55.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.66 110.043 -179.533 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.2 ttp -63.54 -51.74 64.15 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.204 -0.935 . . . . 0.61 110.289 -179.257 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -60.84 -47.19 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.94 . . . . 0.33 109.36 -179.857 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.35 -43.82 54.25 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.178 -0.951 . . . . 3.28 109.317 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.3 -45.23 94.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.265 -0.897 . . . . 1.78 109.61 179.936 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.45 -47.65 83.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.38 109.166 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.26 -47.55 83.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.136 -0.978 . . . . 1.2 109.411 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.5 80.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.209 -0.932 . . . . 2.12 109.409 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -46.77 88.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.23 -0.919 . . . . 0.26 109.174 179.823 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' A' ' 337' ' ' ARG . 44.2 mt -62.48 -48.25 80.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.459 -0.776 . . . . 0.4 109.561 179.748 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.62 -34.57 72.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 2.09 109.458 179.925 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.5 -49.24 72.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.75 109.354 -179.898 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.345 -0.847 . . . . 2.19 108.938 179.539 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.32 -33.09 69.11 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.547 -0.721 . . . . 1.34 109.574 179.764 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.4 77.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.387 -0.82 . . . . 0.72 109.708 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -81.48 -6.51 59.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 1.8 109.604 -179.973 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -24.7 61.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 1.39 109.572 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -9.77 77.86 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.674 -1.37 . . . . 1.66 109.674 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.61 100.48 12.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.24 -1.153 . . . . 4.45 109.5 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.636 ' CD ' ' H ' ' C' ' 358' ' ' GLU . 1.7 pm0 -51.23 150.43 6.01 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 6.19 109.384 -179.697 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.07 140.35 92.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.081 1.187 . . . . 5.58 110.129 179.449 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.932 -1.482 . . . . 6.9 109.451 179.763 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.327 0.584 . . . . 7.36 109.46 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 53.34 -123.71 2.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 7.15 109.88 179.784 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 51.89 67.09 4.4 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 6.5 109.291 -179.478 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.09 1.15 2.09 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.507 1.471 . . . . 4.5 110.352 -179.511 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.1 mt -82.67 87.68 6.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.007 -1.058 . . . . 4.32 109.627 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -86.01 -138.81 0.08 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.383 -0.823 . . . . 2.46 109.326 179.525 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.22 170.51 41.48 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.437 -1.465 . . . . 0.97 109.437 179.73 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.75 131.4 50.79 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.262 -1.14 . . . . 1.67 109.617 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -93.99 162.11 14.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.225 -0.922 . . . . 0.61 109.551 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.1 -171.64 3.23 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.38 -0.825 . . . . 0.56 109.408 179.69 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -151.84 144.43 24.22 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.209 -0.932 . . . . 0.43 109.045 -179.83 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.58 136.82 37.92 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.395 -0.816 . . . . 0.35 110.191 -178.649 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.17 130.75 34.42 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.931 -0.766 . . . . 1.37 108.931 179.124 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.47 117.4 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.493 -0.755 . . . . 0.48 109.194 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -74.43 151.56 39.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.568 -0.707 . . . . 2.08 109.732 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.49 135.39 3.09 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.396 -1.081 . . . . 0.4 110.396 179.06 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' B' ' 326' ' ' GLU . 41.3 ttm180 -80.06 -50.52 10.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -1.008 . . . . 2.64 109.289 179.603 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.88 -35.32 72.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.15 -0.969 . . . . 2.22 108.787 179.879 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 10.0 tpp180 -65.34 -41.56 93.81 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.74 109.058 179.464 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -55.33 -53.04 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.558 -0.714 . . . . 0.43 109.95 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.38 -37.36 56.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.434 -0.791 . . . . 1.69 109.974 -179.481 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -51.71 64.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.141 -0.974 . . . . 0.43 110.385 -179.324 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.96 -47.15 87.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -0.977 . . . . 0.27 109.27 -179.825 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.41 -43.72 54.87 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 2.45 109.283 179.86 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.35 93.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 1.75 109.483 -179.999 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.33 -47.72 83.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.31 109.238 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.36 -47.37 84.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.195 -0.941 . . . . 1.22 109.476 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.52 80.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 1.73 109.448 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.05 -46.65 88.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.28 109.227 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' B' ' 337' ' ' ARG . 44.8 mt -62.64 -48.2 80.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.463 -0.773 . . . . 0.31 109.439 179.815 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.68 -34.54 73.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.334 -0.854 . . . . 1.91 109.447 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.56 -49.17 72.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.43 109.34 -179.883 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.32 -48.09 76.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.337 -0.852 . . . . 1.57 108.884 179.542 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.2 -33.13 68.94 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.568 -0.708 . . . . 1.44 109.589 179.802 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.38 77.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.28 -0.888 . . . . 0.64 109.681 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -81.52 -6.52 59.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 1.21 109.559 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.8 61.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 1.22 109.598 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -9.86 77.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.633 -1.387 . . . . 1.5 109.633 -179.91 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.53 100.57 12.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.164 -1.198 . . . . 4.18 109.582 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' D' ' 358' ' ' GLU . 1.7 pm0 -51.38 150.47 6.33 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 5.67 109.302 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.06 140.47 92.73 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 121.011 1.141 . . . . 5.65 110.133 179.46 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 CA-C-O 117.937 -1.479 . . . . 7.27 109.426 179.854 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.453 -0.573 . . . . 7.33 109.453 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt 53.77 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.473 -0.767 . . . . 7.21 109.823 179.87 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' A' ' 319' ' ' LYS . 81.5 tttt 57.53 64.5 4.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.384 -0.823 . . . . 6.47 110.154 179.948 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.15 155.03 67.41 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.506 1.471 . . . . 4.53 109.72 179.758 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.64 101.66 9.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 4.35 109.243 179.549 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.72 162.19 23.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 2.48 109.743 -179.835 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.37 -173.92 10.57 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.037 -1.225 . . . . 0.98 110.037 -179.827 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.71 141.49 56.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.336 -1.097 . . . . 1.7 109.693 -179.884 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -98.76 153.47 18.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.317 -0.864 . . . . 0.61 110.376 -179.864 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.96 135.37 34.28 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.309 -0.997 . . . . 0.58 108.309 178.491 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 60.7 p -96.92 158.82 15.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.311 -0.868 . . . . 0.42 109.705 -179.392 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.19 132.99 17.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.913 . . . . 0.36 109.96 -179.253 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.48 34.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 1.37 108.904 179.288 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.88 113.07 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.602 -0.686 . . . . 0.47 109.445 -179.688 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.5 153.28 37.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.435 -0.791 . . . . 2.1 109.803 179.423 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 134.98 4.79 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.265 -1.134 . . . . 0.42 110.265 179.292 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 335' ' ' ARG . 19.5 ttt-85 -77.14 -50.67 12.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.365 -1.079 . . . . 2.68 109.208 179.555 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.11 -38.02 72.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.22 109.095 179.804 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.598 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.359 -0.838 . . . . 2.77 109.656 179.788 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -54.81 -57.17 12.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.549 -0.719 . . . . 0.43 109.996 -179.533 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.75 -39.49 52.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.278 -0.889 . . . . 1.66 109.896 -179.616 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.55 -53.99 39.29 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.215 -0.928 . . . . 0.44 110.552 -179.149 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.14 -45.07 95.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.973 -1.079 . . . . 0.29 109.004 -179.691 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.32 59.15 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.279 -0.888 . . . . 2.44 109.42 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.6 -52.87 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.74 109.832 -179.86 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.55 -36.59 78.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.3 108.717 179.791 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.1 -56.24 24.78 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.509 -0.744 . . . . 1.22 109.342 179.591 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.95 -31.83 73.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -0.779 . . . . 1.72 109.621 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.17 -57.37 13.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.27 110.223 -179.462 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.77 -44.35 96.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.29 109.395 -179.723 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.93 -36.08 71.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 1.91 108.885 179.729 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.48 -45.01 89.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.785 -0.821 . . . . 0.41 108.785 179.678 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.969 0.89 . . . . 1.56 108.792 179.196 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -52.38 -40.98 62.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.397 -0.594 . . . . 1.43 109.397 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.35 83.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.285 -0.885 . . . . 0.66 109.191 179.637 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.444 ' OE1' HD21 ' B' ' 350' ' ' LEU . 25.1 tt0 -82.95 -5.99 59.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.361 -0.837 . . . . 1.18 109.564 179.929 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -87.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 1.23 109.816 -179.612 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.22 76.68 0.47 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.933 -1.267 . . . . 1.54 109.933 -179.649 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.74 131.72 34.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.222 -1.164 . . . . 4.18 109.2 179.703 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.32 109.47 1.01 Allowed Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.324 -0.86 . . . . 5.71 109.587 -179.784 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.88 166.12 12.83 Favored 'Trans proline' 0 C--O 1.214 -0.693 0 C-N-CA 120.638 0.892 . . . . 5.61 110.045 -179.621 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.451 0 CA-C-O 117.982 -1.455 . . . . 7.24 109.547 179.959 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' B' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.521 -0.548 . . . . 7.34 109.521 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 53.75 -84.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 7.17 109.778 179.836 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 319' ' ' LYS . 81.4 tttt 57.54 64.52 4.08 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.401 -0.812 . . . . 6.44 110.166 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.12 155.08 66.98 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 121.472 1.448 . . . . 4.54 109.706 179.722 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -80.73 101.83 9.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.15 -0.969 . . . . 4.32 109.165 179.542 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.88 162.24 22.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 2.47 109.718 -179.838 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.36 -173.81 10.37 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.024 -1.23 . . . . 0.95 110.024 -179.767 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.84 141.46 57.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.393 -1.063 . . . . 1.61 109.709 -179.89 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.9 m-85 -98.76 153.48 18.71 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.295 -0.878 . . . . 0.57 110.333 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.02 135.43 34.23 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.271 -1.011 . . . . 0.53 108.271 178.494 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -96.97 158.75 15.28 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.38 109.7 -179.382 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.25 133.09 18.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.36 109.968 -179.309 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.85 130.47 34.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.36 108.864 179.361 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -123.93 113.01 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.545 -0.722 . . . . 0.49 109.422 -179.709 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.33 153.3 37.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.437 -0.789 . . . . 2.1 109.762 179.37 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.0 135.14 4.8 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.222 -1.151 . . . . 0.44 110.222 179.237 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' B' ' 335' ' ' ARG . 19.4 ttt-85 -77.24 -50.73 12.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -1.063 . . . . 2.72 109.169 179.536 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.1 -38.01 72.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 2.21 109.086 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.611 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.47 -43.33 79.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.299 -0.875 . . . . 2.79 109.612 179.829 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.76 -57.23 12.36 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.466 -0.771 . . . . 0.45 109.965 -179.484 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.68 -39.57 51.4 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.4 -0.812 . . . . 1.68 109.889 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.53 -54.02 38.79 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.204 -0.935 . . . . 0.43 110.491 -179.074 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.15 -44.99 95.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.957 -1.089 . . . . 0.28 108.997 -179.628 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.43 59.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.286 -0.884 . . . . 2.52 109.412 179.684 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -60.57 -52.86 63.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.75 109.815 -179.789 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.57 -36.5 78.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.101 -0.999 . . . . 0.31 108.756 179.807 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.19 -56.23 24.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.454 -0.779 . . . . 1.21 109.308 179.596 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.86 -31.9 73.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 1.69 109.655 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.24 -57.29 13.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.27 110.198 -179.388 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.84 -44.29 97.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.3 109.413 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.97 -35.97 71.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -0.927 . . . . 1.93 108.924 179.721 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.444 HD21 ' OE1' ' A' ' 354' ' ' GLN . 4.6 tp -64.51 -45.04 88.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.392 -0.817 . . . . 0.4 108.824 179.619 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.89 -46.61 87.02 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.733 -0.839 . . . . 1.59 108.733 179.195 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -52.52 -40.84 62.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.411 -0.588 . . . . 1.43 109.411 -179.871 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.35 83.2 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.65 109.148 179.646 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -82.94 -6.09 59.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.34 -0.85 . . . . 1.19 109.542 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -87.36 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.929 . . . . 1.22 109.751 -179.561 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.14 76.69 0.45 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.862 -1.295 . . . . 1.53 109.862 -179.58 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.73 131.66 34.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.137 -1.213 . . . . 4.21 109.196 179.665 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.32 109.53 1.02 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 5.68 109.553 -179.784 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.88 166.09 12.89 Favored 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 120.651 0.901 . . . . 5.57 110.058 -179.647 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.433 0 CA-C-O 118.01 -1.439 . . . . 7.2 109.568 179.939 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' C' ' 321' ' ' LYS . 18.6 pttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.53 -0.545 . . . . 8.96 109.53 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 53.73 -84.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.358 -0.839 . . . . 8.15 109.738 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' C' ' 319' ' ' LYS . 81.5 tttt 57.6 64.51 4.05 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.387 -0.82 . . . . 7.15 110.162 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.14 155.07 67.07 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 121.487 1.458 . . . . 4.35 109.789 179.687 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.68 101.69 9.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 4.63 109.204 179.6 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.83 162.25 22.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 2.85 109.736 -179.804 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.31 -173.79 10.18 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.014 -1.235 . . . . 1.12 110.014 -179.766 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.79 141.46 56.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.356 -1.085 . . . . 2.11 109.71 -179.99 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.0 m-85 -98.8 153.48 18.73 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.252 -0.905 . . . . 0.64 110.312 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.92 135.51 34.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.276 -1.009 . . . . 0.49 108.276 178.488 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.0 158.97 15.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.188 -0.945 . . . . 0.47 109.649 -179.396 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -148.4 132.99 17.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 0.42 109.936 -179.261 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.62 34.5 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.878 -0.786 . . . . 1.81 108.878 179.274 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.03 113.08 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.572 -0.705 . . . . 0.42 109.395 -179.672 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.44 153.37 37.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.482 -0.761 . . . . 2.35 109.802 179.387 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.87 135.15 4.74 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.353 -1.099 . . . . 0.41 110.353 179.349 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' C' ' 335' ' ' ARG . 19.5 ttt-85 -77.27 -50.7 12.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -1.046 . . . . 2.59 109.168 179.606 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.1 72.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.372 -0.83 . . . . 2.54 109.056 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.605 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.49 -43.23 79.48 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.399 -0.813 . . . . 3.39 109.658 179.833 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.8 -57.19 12.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.5 -0.75 . . . . 0.47 109.967 -179.575 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.73 -39.51 52.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.3 -0.875 . . . . 1.66 109.905 -179.62 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.56 -54.01 38.84 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.216 -0.928 . . . . 0.61 110.516 -179.105 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -62.16 -44.99 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.033 -1.042 . . . . 0.33 109.0 -179.609 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -50.89 -43.36 59.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 3.28 109.365 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.63 -52.86 63.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.88 . . . . 1.78 109.813 -179.796 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.57 -36.47 78.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.38 108.747 179.786 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.24 -56.17 25.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.536 -0.727 . . . . 1.2 109.341 179.593 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.89 -31.89 73.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 2.12 109.666 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.21 -57.3 13.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.26 110.187 -179.459 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.78 -44.37 96.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 0.4 109.395 -179.746 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.96 -35.98 71.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.221 -0.924 . . . . 2.09 108.971 179.751 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.45 -45.0 89.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.34 -0.85 . . . . 0.75 108.816 179.59 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.0 -46.68 86.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.741 -0.837 . . . . 2.19 108.741 179.22 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -52.31 -40.91 62.47 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.334 0.587 . . . . 1.34 109.478 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.235 -0.916 . . . . 0.72 109.186 179.635 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.406 ' OE1' HD21 ' D' ' 350' ' ' LEU . 25.3 tt0 -82.99 -5.96 59.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.415 -0.803 . . . . 1.8 109.554 179.962 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.09 -87.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 1.39 109.827 -179.654 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.25 76.66 0.47 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.881 -1.288 . . . . 1.66 109.881 -179.641 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.75 131.74 34.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.244 -1.151 . . . . 4.45 109.226 179.672 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.31 109.56 1.03 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.327 -0.858 . . . . 6.19 109.532 -179.724 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.92 166.05 13.04 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.73 0.953 . . . . 5.58 109.973 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.509 0 CA-C-O 117.946 -1.474 . . . . 6.9 109.548 179.887 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' D' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.472 -0.566 . . . . 7.36 109.472 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt 53.83 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 7.15 109.878 179.9 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' D' ' 319' ' ' LYS . 81.5 tttt 57.42 64.62 4.09 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.323 -0.861 . . . . 6.5 110.164 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.28 154.97 68.16 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.444 1.429 . . . . 4.5 109.749 179.715 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.56 101.72 9.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.169 -0.957 . . . . 4.32 109.205 179.615 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.8 162.21 22.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.279 -0.888 . . . . 2.46 109.753 -179.877 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.36 -173.84 10.43 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.077 -1.209 . . . . 0.97 110.077 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.71 141.51 56.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.392 -1.063 . . . . 1.67 109.706 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.8 m-85 -98.78 153.49 18.71 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.296 -0.878 . . . . 0.61 110.376 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.0 135.47 34.32 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.242 -1.022 . . . . 0.56 108.242 178.472 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.4 p -96.99 158.76 15.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.169 -0.957 . . . . 0.43 109.707 -179.38 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.2 133.02 17.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.35 109.934 -179.237 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.87 130.46 34.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.896 -0.779 . . . . 1.37 108.896 179.325 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.89 113.06 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.486 -0.758 . . . . 0.48 109.397 -179.671 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.52 153.42 37.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.473 -0.767 . . . . 2.08 109.786 179.352 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.93 135.15 4.77 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.216 -1.153 . . . . 0.4 110.216 179.316 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' D' ' 335' ' ' ARG . 19.4 ttt-85 -77.2 -50.81 12.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.399 -1.059 . . . . 2.64 109.106 179.611 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.09 72.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 2.22 109.031 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.597 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.33 79.3 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.427 -0.796 . . . . 2.74 109.634 179.785 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -54.72 -57.36 11.83 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.591 -0.693 . . . . 0.43 109.982 -179.528 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.64 -39.53 50.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.288 -0.883 . . . . 1.69 109.878 -179.587 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.52 -53.97 39.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.263 -0.898 . . . . 0.43 110.543 -179.126 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.1 -45.09 95.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.978 -1.076 . . . . 0.27 109.052 -179.699 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.78 -43.43 58.53 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.322 -0.861 . . . . 2.45 109.361 179.698 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.63 -52.85 63.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.75 109.774 -179.72 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.52 -36.57 78.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.31 108.749 179.748 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.26 24.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.462 -0.773 . . . . 1.22 109.325 179.595 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.85 -31.84 73.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.406 -0.809 . . . . 1.73 109.67 -179.924 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -57.25 13.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 0.28 110.175 -179.387 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.87 -44.29 97.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 0.31 109.376 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.9 -36.04 71.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.91 108.965 179.667 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.406 HD21 ' OE1' ' C' ' 354' ' ' GLN . 4.6 tp -64.49 -44.99 89.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.43 108.766 179.647 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -62.97 -46.65 86.7 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.867 0.842 . . . . 1.57 108.753 179.218 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.36 -40.92 62.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.312 0.577 . . . . 1.44 109.471 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.32 83.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 0.64 109.215 179.677 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.91 -6.13 59.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.421 -0.799 . . . . 1.21 109.553 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.04 -87.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.948 . . . . 1.22 109.869 -179.589 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.18 76.66 0.46 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.862 -1.295 . . . . 1.5 109.862 -179.669 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -85.83 131.76 34.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -1.121 . . . . 4.18 109.154 179.709 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -46.38 109.56 1.03 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 5.67 109.546 -179.756 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.93 166.08 13.01 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 C-N-CA 120.617 0.878 . . . . 5.65 110.04 -179.594 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 CA-C-O 117.928 -1.484 . . . . 7.27 109.525 179.916 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 320' ' ' LYS . 65.6 mttm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.447 -0.575 . . . . 7.33 109.447 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 319' ' ' LYS . 60.8 mttm 53.34 100.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.35 -0.844 . . . . 7.21 109.625 -179.893 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.65 65.56 6.3 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 6.47 109.723 -179.982 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.22 132.3 33.46 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.423 1.415 . . . . 4.53 110.07 -179.959 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.0 mm? -80.86 11.29 4.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 4.35 108.855 179.44 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.404 ' OD1' ' NH2' ' C' ' 333' ' ' ARG . 69.6 m-20 -78.03 171.38 15.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 2.48 109.797 -179.658 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 165.11 48.12 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.676 -1.37 . . . . 0.98 109.676 -179.971 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -59.29 139.99 56.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -1.137 . . . . 1.7 109.833 -179.851 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.98 156.66 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.32 -0.863 . . . . 0.61 109.59 179.723 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.13 136.62 35.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.857 . . . . 0.58 108.77 178.903 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.4 157.58 15.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.285 -0.885 . . . . 0.42 109.527 -179.576 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.9 131.08 17.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.399 -0.813 . . . . 0.36 110.022 -178.58 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.4 132.62 34.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 1.37 109.083 179.575 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.4 118.98 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 121.549 0.69 . . . . 0.47 109.352 -179.598 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.86 148.67 38.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.566 -0.709 . . . . 2.1 109.704 179.732 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.42 6.1 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.542 -1.023 . . . . 0.42 110.542 179.075 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.97 -46.5 12.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.427 -1.043 . . . . 2.68 109.188 179.51 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.15 -40.49 77.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 2.22 108.864 179.694 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -41.14 78.1 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.439 -0.788 . . . . 2.77 109.457 179.638 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.58 -59.22 5.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.546 -0.721 . . . . 0.43 110.039 -179.596 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.82 -35.3 43.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.349 -0.845 . . . . 1.66 109.622 -179.628 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.04 -57.36 8.85 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.245 -0.909 . . . . 0.44 110.322 -179.513 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.94 91.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.976 . . . . 0.29 108.883 -179.791 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.526 HH11 ' HB3' ' A' ' 342' ' ' ARG . 0.6 OUTLIER -50.06 -42.24 49.4 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.376 -0.827 . . . . 2.44 109.105 179.42 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.82 -45.29 93.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.74 109.396 179.488 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.06 -45.84 91.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.332 -0.855 . . . . 0.3 109.286 179.921 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.77 -49.34 76.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.22 109.259 179.926 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.1 -38.15 87.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 1.72 109.279 179.873 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -52.3 66.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.387 -0.821 . . . . 0.27 109.605 -179.902 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.88 -46.59 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.29 109.293 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.01 -35.44 73.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 1.91 109.198 179.811 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.68 -47.2 82.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -0.817 . . . . 0.41 109.165 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.389 -0.82 . . . . 1.56 108.863 179.699 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -56.91 -31.76 65.25 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.705 -0.622 . . . . 1.43 109.587 179.749 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.14 83.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.254 -0.904 . . . . 0.66 109.754 -179.771 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -81.82 -44.51 16.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -0.928 . . . . 1.18 109.395 -179.969 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.15 -3.83 18.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.23 109.201 179.736 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.33 18.36 4.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.377 -1.489 . . . . 1.54 109.377 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 355' ' ' ALA . 64.2 tttp -85.17 -80.68 0.21 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.258 -1.142 . . . . 4.18 109.604 -179.782 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.95 126.36 24.93 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 5.71 109.174 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.59 136.05 68.46 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 C-N-CA 120.649 0.899 . . . . 5.61 109.974 179.885 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.011 -1.438 . . . . 7.24 109.53 179.782 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.459 -0.571 . . . . 7.34 109.459 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 319' ' ' LYS . 60.8 mttm 53.42 100.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.336 -0.853 . . . . 7.17 109.574 -179.908 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.59 65.58 6.29 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.364 -0.835 . . . . 6.44 109.724 -179.98 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.24 132.29 33.4 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.425 1.417 . . . . 4.54 110.076 -179.937 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.469 HD22 ' N ' ' B' ' 323' ' ' LEU . 4.0 mm? -80.83 11.27 4.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.248 -0.907 . . . . 4.32 108.871 179.482 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -78.07 171.34 15.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.805 . . . . 2.47 109.808 -179.634 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 165.17 47.77 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.646 -1.382 . . . . 0.95 109.646 -179.977 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -59.33 139.98 56.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.353 -1.087 . . . . 1.61 109.849 -179.884 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.99 156.66 16.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.327 -0.858 . . . . 0.57 109.64 179.677 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.09 136.67 35.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.853 . . . . 0.53 108.746 178.912 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.39 157.57 15.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -0.858 . . . . 0.38 109.531 -179.603 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.93 130.98 17.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.39 -0.819 . . . . 0.36 110.069 -178.595 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.38 132.65 34.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 1.36 109.061 179.623 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.37 119.01 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 CA-C-O 121.527 0.68 . . . . 0.49 109.337 -179.597 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' D' ' 324' ' ' ASP . 63.5 ttt180 -75.87 148.64 38.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.527 -0.733 . . . . 2.1 109.676 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.42 142.39 6.16 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.527 -1.029 . . . . 0.44 110.527 179.027 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.0 -46.47 12.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.503 -0.998 . . . . 2.72 109.235 179.468 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.2 -40.44 77.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 2.21 108.851 179.711 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.625 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.08 -41.08 78.19 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.411 -0.806 . . . . 2.79 109.441 179.633 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.58 -59.23 5.13 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.654 -0.654 . . . . 0.45 110.065 -179.636 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.85 -35.31 44.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 1.68 109.567 -179.581 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.05 -57.31 8.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.268 -0.895 . . . . 0.43 110.289 -179.457 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -61.89 -45.91 91.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.28 108.879 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.51 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.6 OUTLIER -50.09 -42.25 49.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.378 -0.826 . . . . 2.52 109.115 179.418 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.81 -45.29 93.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 1.75 109.409 179.474 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.07 -45.76 92.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.31 109.339 179.904 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.74 -49.43 76.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.179 -0.951 . . . . 1.21 109.242 179.868 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.09 -38.06 87.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.264 -0.897 . . . . 1.69 109.343 179.902 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.13 -52.35 66.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.27 109.622 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.82 -46.71 88.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.3 109.276 179.88 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.92 -35.47 73.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.202 -0.936 . . . . 1.93 109.196 179.791 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.64 -47.18 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.423 -0.798 . . . . 0.4 109.19 179.832 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.26 -48.96 75.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.358 -0.839 . . . . 1.59 108.867 179.701 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -56.92 -31.66 65.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.632 -0.668 . . . . 1.43 109.652 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.08 82.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.65 109.684 -179.753 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -81.81 -44.51 16.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 1.19 109.416 -179.974 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.15 -3.83 18.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.892 . . . . 1.22 109.197 179.763 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.3 18.29 4.45 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.372 -1.491 . . . . 1.53 109.372 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' B' ' 355' ' ' ALA . 64.2 tttp -85.12 -80.75 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -1.153 . . . . 4.21 109.592 -179.776 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -50.88 126.33 24.51 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.309 -0.869 . . . . 5.68 109.189 -179.761 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.59 136.05 68.51 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.648 0.899 . . . . 5.57 109.992 179.892 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.022 -1.432 . . . . 7.2 109.529 179.821 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' C' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.443 -0.577 . . . . 8.96 109.443 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' C' ' 319' ' ' LYS . 60.9 mttm 53.35 100.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 8.15 109.563 -179.894 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.58 65.55 6.34 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.373 -0.829 . . . . 7.15 109.722 -179.992 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.12 132.27 33.57 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.44 1.427 . . . . 4.35 110.091 -179.997 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.483 HD22 ' N ' ' C' ' 323' ' ' LEU . 4.0 mm? -80.83 11.28 4.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.256 -0.903 . . . . 4.63 108.899 179.389 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -78.06 171.42 15.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.367 -0.833 . . . . 2.85 109.766 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 165.12 48.2 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.652 -1.379 . . . . 1.12 109.652 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.26 139.98 56.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -1.127 . . . . 2.11 109.865 -179.86 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.01 156.75 16.2 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 0.64 109.598 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -139.15 136.56 35.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.282 -0.886 . . . . 0.49 108.779 178.951 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.34 157.61 15.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.288 -0.883 . . . . 0.47 109.582 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.94 131.04 17.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.416 -0.802 . . . . 0.42 110.049 -178.568 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.39 132.66 34.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 1.81 109.05 179.601 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.4 119.0 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.488 0.661 . . . . 0.42 109.338 -179.615 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.404 ' NH2' ' OD1' ' A' ' 324' ' ' ASP . 63.6 ttt180 -75.96 148.67 37.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.591 -0.693 . . . . 2.35 109.639 179.722 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.4 6.09 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.588 -1.005 . . . . 0.41 110.588 179.131 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -82.97 -46.53 12.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.48 -1.012 . . . . 2.59 109.177 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.16 -40.49 77.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.335 -0.853 . . . . 2.54 108.832 179.743 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.637 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -41.17 77.84 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.439 -0.788 . . . . 3.39 109.508 179.585 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.53 -59.25 5.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.572 -0.705 . . . . 0.47 110.102 -179.647 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.81 -35.3 43.76 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.307 -0.871 . . . . 1.66 109.622 -179.67 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.03 -57.38 8.83 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.225 -0.922 . . . . 0.61 110.314 -179.529 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.93 91.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.33 108.911 -179.794 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.521 HH11 ' HB3' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -50.1 -42.24 49.96 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.367 -0.833 . . . . 3.28 109.073 179.41 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.84 -45.27 93.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 1.78 109.386 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.05 -45.77 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.38 109.343 179.893 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.73 -49.49 76.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.182 -0.949 . . . . 1.2 109.248 179.863 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.0 -38.16 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.274 -0.891 . . . . 2.12 109.313 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.13 -52.32 66.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 0.26 109.635 -179.951 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.88 -46.67 88.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.121 -0.987 . . . . 0.4 109.287 179.86 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.94 -35.45 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 2.09 109.217 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.64 -47.22 82.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.343 -0.848 . . . . 0.75 109.17 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.31 -48.89 76.16 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.37 -0.831 . . . . 2.19 108.802 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -56.98 -31.69 65.3 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.683 -0.636 . . . . 1.34 109.575 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -37.1 83.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 0.72 109.759 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -81.91 -44.47 16.75 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 1.8 109.335 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.16 -3.82 18.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.896 . . . . 1.39 109.228 179.734 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.31 18.34 4.42 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.408 -1.477 . . . . 1.66 109.408 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' C' ' 355' ' ' ALA . 64.3 tttp -85.08 -80.8 0.2 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -1.129 . . . . 4.45 109.624 -179.804 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.87 126.27 24.3 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.353 -0.842 . . . . 6.19 109.264 -179.824 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.58 136.1 68.87 Favored 'Trans proline' 0 C--O 1.215 -0.645 0 C-N-CA 120.553 0.835 . . . . 5.58 109.978 179.939 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.008 -1.44 . . . . 6.9 109.563 179.778 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' D' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.412 -0.588 . . . . 7.36 109.412 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' D' ' 319' ' ' LYS . 60.8 mttm 53.42 100.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 7.15 109.62 -179.915 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.66 65.53 6.32 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 6.5 109.699 -179.963 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.1 132.24 33.53 Favored 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.443 1.429 . . . . 4.5 110.119 179.976 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.47 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.0 mm? -80.83 11.28 4.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 4.32 108.864 179.431 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' B' ' 333' ' ' ARG . 69.7 m-20 -78.02 171.39 15.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 2.46 109.767 -179.642 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 165.09 48.15 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.635 -1.386 . . . . 0.97 109.635 179.998 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.22 139.98 56.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -1.103 . . . . 1.67 109.89 -179.931 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.98 156.75 16.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.61 109.562 179.731 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.16 136.64 35.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.315 -0.866 . . . . 0.56 108.7 178.933 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.41 157.49 15.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 0.43 109.539 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.85 131.04 17.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -0.799 . . . . 0.35 110.048 -178.618 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.35 132.68 34.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.37 109.081 179.595 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.45 119.01 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-O 121.572 0.701 . . . . 0.48 109.288 -179.556 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.88 148.67 38.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.523 -0.736 . . . . 2.08 109.671 179.674 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.44 6.11 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.527 -1.029 . . . . 0.4 110.527 179.072 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.03 -46.49 12.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.516 -0.991 . . . . 2.64 109.166 179.499 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -57.18 -40.44 77.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -0.875 . . . . 2.22 108.907 179.703 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.636 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -41.17 78.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.38 -0.825 . . . . 2.74 109.423 179.613 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -55.49 -59.3 5.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.595 -0.69 . . . . 0.43 110.033 -179.63 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.84 -35.32 44.15 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.32 -0.863 . . . . 1.69 109.585 -179.566 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.04 -57.33 8.95 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.169 -0.957 . . . . 0.43 110.279 -179.479 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.88 -45.91 91.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.089 -1.007 . . . . 0.27 108.886 -179.796 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.527 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.6 OUTLIER -50.11 -42.25 50.03 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.442 -0.786 . . . . 2.45 109.104 179.434 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.8 -45.24 93.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -0.938 . . . . 1.75 109.433 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.16 -45.75 92.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.31 109.278 179.955 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.69 -49.46 76.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.173 -0.954 . . . . 1.22 109.285 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.03 -38.12 87.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 1.73 109.324 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -52.3 66.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.854 . . . . 0.28 109.63 -179.94 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.405 HD13 ' HE ' ' B' ' 337' ' ' ARG . 55.8 mt -61.84 -46.68 88.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.932 . . . . 0.31 109.306 179.825 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.95 -35.45 73.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 1.91 109.186 179.789 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.66 -47.18 82.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.43 109.168 179.875 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.364 -0.835 . . . . 1.57 108.894 179.679 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -57.02 -31.59 65.28 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.703 -0.623 . . . . 1.44 109.608 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.0 82.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.879 . . . . 0.64 109.763 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -81.88 -44.5 16.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.21 109.385 179.998 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.2 -3.76 18.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.258 -0.901 . . . . 1.22 109.219 179.742 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.37 18.37 4.46 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.392 -1.483 . . . . 1.5 109.392 179.834 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' D' ' 355' ' ' ALA . 64.2 tttp -85.13 -80.75 0.21 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.263 -1.139 . . . . 4.18 109.586 -179.784 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -50.89 126.27 24.43 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.247 -0.908 . . . . 5.67 109.239 -179.792 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.57 136.07 68.72 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 120.637 0.891 . . . . 5.65 109.952 179.954 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 CA-C-O 118.022 -1.432 . . . . 7.27 109.535 179.793 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.313 -0.625 . . . . 7.33 109.313 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 322' ' ' PRO . 87.3 mttt 54.44 -136.25 1.34 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 7.21 109.763 179.936 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 320' ' ' LYS . 17.0 mmtp 19.59 -80.96 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.488 0 CA-C-O 118.05 -0.976 . . . . 6.47 112.611 -179.606 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.485 ' N ' ' O ' ' A' ' 320' ' ' LYS . 1.0 OUTLIER -54.75 -45.75 38.56 Favored 'Trans proline' 0 N--CA 1.483 0.877 0 CA-C-N 120.745 1.302 . . . . 4.53 110.623 179.685 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 3.3 mm? -77.82 33.6 0.18 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.363 -0.836 . . . . 4.35 110.245 -179.02 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.08 107.53 10.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.132 -0.98 . . . . 2.48 109.248 179.663 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.8 156.03 52.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.912 -1.275 . . . . 0.98 109.912 179.952 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.6 125.0 22.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -1.113 . . . . 1.7 109.371 179.592 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.517 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 72.4 m-85 -97.34 153.11 18.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.213 -0.93 . . . . 0.61 109.95 -179.884 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.35 137.78 34.36 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.685 -0.858 . . . . 0.58 108.685 179.08 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -94.79 163.41 13.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.87 . . . . 0.42 109.05 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.92 132.79 17.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.173 -0.954 . . . . 0.36 110.147 -179.079 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.58 127.23 33.95 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.699 -0.852 . . . . 1.37 108.699 179.299 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.2 mt -124.26 111.17 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.546 -0.721 . . . . 0.47 109.776 -179.296 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.53 152.61 37.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.769 . . . . 2.1 109.531 179.531 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.97 131.67 4.14 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.065 -1.214 . . . . 0.42 110.065 179.617 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.81 -51.95 8.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -1.136 . . . . 2.68 109.566 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.28 -38.89 77.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.972 -1.08 . . . . 2.22 109.756 -179.596 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.115 -0.99 . . . . 2.77 109.699 -179.958 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.71 -53.44 52.08 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.439 -0.788 . . . . 0.43 109.908 -179.809 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -51.47 -39.51 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 1.66 110.13 -179.499 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.14 -51.32 66.96 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.206 -0.934 . . . . 0.44 110.483 -179.174 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.68 -42.62 97.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.06 -1.025 . . . . 0.29 109.069 -179.636 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.249 -0.907 . . . . 2.44 109.447 179.754 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.82 -46.29 91.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.74 109.967 -179.647 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.97 -41.05 95.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.3 109.515 -179.717 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.99 -50.33 74.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 1.22 109.576 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.505 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.92 81.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.297 -0.877 . . . . 1.72 109.769 -179.756 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -53.54 57.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 0.27 109.912 -179.582 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.6 -42.64 99.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.29 109.482 -179.868 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.3 -35.42 73.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.157 -0.965 . . . . 1.91 109.225 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -65.9 -52.3 51.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 0.41 109.193 179.907 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.05 -36.46 79.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.328 -0.858 . . . . 1.56 109.056 179.784 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.71 -36.2 66.93 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.656 -0.653 . . . . 1.43 109.272 179.808 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.95 80.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.66 109.597 -179.981 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.51 -4.13 55.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.216 -0.928 . . . . 1.18 109.668 -179.87 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.1 -87.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.205 -0.934 . . . . 1.23 109.567 -179.944 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.53 72.48 1.0 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.872 -1.291 . . . . 1.54 109.872 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.09 114.98 23.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.118 -1.225 . . . . 4.18 109.103 179.945 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -46.45 109.69 1.07 Allowed Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.293 -0.879 . . . . 5.71 109.496 -179.781 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.92 136.41 61.29 Favored 'Trans proline' 0 C--O 1.215 -0.649 0 N-CA-C 109.807 -0.882 . . . . 5.61 109.807 -179.818 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.96 -1.467 . . . . 7.24 109.585 179.939 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' B' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.287 -0.634 . . . . 7.34 109.287 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 322' ' ' PRO . 87.3 mttt 54.52 -136.29 1.33 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 7.17 109.824 179.84 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' B' ' 320' ' ' LYS . 17.0 mmtp 19.61 -81.02 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.484 0 CA-C-O 118.149 -0.929 . . . . 6.44 112.549 -179.688 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' B' ' 320' ' ' LYS . 1.0 OUTLIER -54.71 -45.69 39.01 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 120.678 1.278 . . . . 4.54 110.699 179.69 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' B' ' 323' ' ' LEU . 3.2 mm? -77.85 33.51 0.18 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.246 -0.909 . . . . 4.32 110.336 -179.101 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.93 108.04 10.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.039 -1.038 . . . . 2.47 109.268 179.637 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.518 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.63 156.0 51.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.852 -1.299 . . . . 0.95 109.852 -179.887 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.48 124.96 22.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.24 -1.153 . . . . 1.61 109.411 179.828 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 72.7 m-85 -97.32 153.08 18.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.234 -0.916 . . . . 0.57 109.973 -179.812 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.39 137.66 34.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 0.53 108.74 179.121 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.9 p -94.68 163.37 13.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 0.38 109.043 -179.857 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 132.74 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.013 -1.054 . . . . 0.36 110.198 -179.096 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.6 127.21 33.95 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.653 -0.869 . . . . 1.36 108.653 179.412 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.29 111.25 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 121.553 0.692 . . . . 0.49 109.774 -179.337 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.42 152.62 37.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.448 -0.783 . . . . 2.1 109.566 179.456 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.91 131.82 4.16 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.001 -1.24 . . . . 0.44 110.001 179.572 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.95 -51.96 8.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.3 -1.118 . . . . 2.72 109.585 179.958 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.26 -38.93 77.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.142 -0.974 . . . . 2.21 109.714 -179.609 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' D' ' 352' ' ' ASP . 30.7 ttm180 -62.96 -42.13 99.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.265 -0.897 . . . . 2.79 109.703 -179.918 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -53.72 -53.41 52.52 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.45 109.907 -179.772 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.49 -39.5 57.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 1.68 110.114 -179.507 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.11 -51.37 66.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.233 -0.917 . . . . 0.43 110.539 -179.221 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.58 -42.62 97.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.036 -1.04 . . . . 0.28 109.143 -179.696 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.41 63.31 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 2.52 109.478 179.731 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.73 -46.39 90.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 1.75 109.99 -179.701 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.94 -41.13 95.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.31 109.47 -179.65 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.89 -50.42 74.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 1.21 109.612 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.63 -35.94 81.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 1.69 109.757 -179.759 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -53.6 56.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.27 109.952 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.62 -42.64 99.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 0.3 109.431 -179.838 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.26 -35.43 73.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.182 -0.949 . . . . 1.93 109.267 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -65.87 -52.37 50.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.4 109.126 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.06 -36.52 79.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.363 -0.836 . . . . 1.59 109.037 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.76 -36.11 66.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.48 -0.763 . . . . 1.43 109.275 179.834 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.01 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.65 109.628 179.931 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.5 -4.14 55.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.293 -0.879 . . . . 1.19 109.694 -179.87 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -87.69 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 1.22 109.601 -179.924 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.67 72.5 1.03 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.819 -1.312 . . . . 1.53 109.819 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.1 114.96 23.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.159 -1.201 . . . . 4.21 109.11 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.36 109.7 1.06 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 5.68 109.533 -179.791 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.98 136.38 60.89 Favored 'Trans proline' 0 C--O 1.216 -0.612 0 N-CA-C 109.752 -0.903 . . . . 5.57 109.752 -179.749 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.953 -1.47 . . . . 7.2 109.561 179.909 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.448 ' N ' ' CD ' ' C' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.314 -0.624 . . . . 8.96 109.314 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' C' ' 322' ' ' PRO . 87.3 mttt 54.55 -136.26 1.33 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.28 -0.887 . . . . 8.15 109.801 179.837 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' C' ' 320' ' ' LYS . 17.0 mmtp 19.48 -80.9 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.495 0 CA-C-O 118.057 -0.973 . . . . 7.15 112.601 -179.637 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.494 ' N ' ' O ' ' C' ' 320' ' ' LYS . 1.0 OUTLIER -54.78 -45.69 39.0 Favored 'Trans proline' 0 N--CA 1.483 0.866 0 CA-C-N 120.714 1.291 . . . . 4.35 110.68 179.675 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.525 HD22 ' N ' ' C' ' 323' ' ' LEU . 3.3 mm? -77.92 33.71 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.902 . . . . 4.63 110.316 -179.073 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.11 107.77 10.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.095 -1.003 . . . . 2.85 109.207 179.67 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -72.21 156.13 52.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.877 -1.289 . . . . 1.12 109.877 180.0 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.57 125.0 22.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -1.123 . . . . 2.11 109.385 179.715 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 72.7 m-85 -97.34 153.13 18.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.218 -0.926 . . . . 0.64 109.97 -179.834 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -140.41 137.75 34.22 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.721 -0.844 . . . . 0.49 108.721 179.079 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.1 p -94.78 163.41 13.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.306 -0.872 . . . . 0.47 109.034 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.96 132.74 16.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.08 -1.013 . . . . 0.42 110.208 -179.072 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.62 127.23 33.96 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.61 -0.885 . . . . 1.81 108.61 179.408 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.25 111.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.533 -0.73 . . . . 0.42 109.844 -179.349 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.5 152.6 37.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.533 -0.729 . . . . 2.35 109.572 179.569 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 131.67 4.16 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 109.967 -1.253 . . . . 0.41 109.967 179.533 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.79 -51.94 8.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 2.59 109.55 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.35 -38.83 78.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 2.54 109.686 -179.526 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.05 -42.06 99.63 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.207 -0.933 . . . . 3.39 109.693 -179.938 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -53.76 -53.42 52.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.475 -0.766 . . . . 0.47 109.888 -179.769 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.56 57.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 1.66 110.091 -179.519 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.15 -51.34 66.84 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.187 -0.946 . . . . 0.61 110.488 -179.127 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.69 -42.56 97.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.98 . . . . 0.33 109.085 -179.628 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.39 63.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.278 -0.889 . . . . 3.28 109.513 179.718 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -60.76 -46.33 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.389 -0.819 . . . . 1.78 110.036 -179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.95 -41.13 95.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.24 -0.913 . . . . 0.38 109.497 -179.721 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.88 -50.36 74.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 1.2 109.656 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.94 81.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 2.12 109.717 -179.762 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.45 -53.67 55.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 0.26 109.92 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.59 -42.62 99.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.4 109.444 -179.765 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.31 -35.4 73.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 2.09 109.218 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -65.88 -52.33 51.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.75 109.153 179.899 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.13 -36.45 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 2.19 109.064 179.764 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.75 -36.12 66.93 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.554 -0.716 . . . . 1.34 109.319 179.73 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.08 80.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.72 109.631 179.909 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -81.42 -4.28 55.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 1.8 109.621 -179.811 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -87.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 1.39 109.58 -179.913 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.52 72.54 1.0 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.798 -1.321 . . . . 1.66 109.798 -179.884 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.215 -1.168 . . . . 4.45 109.058 179.896 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.43 109.56 1.04 Allowed Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.86 . . . . 6.19 109.536 -179.893 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.86 136.34 61.15 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 N-CA-C 109.779 -0.893 . . . . 5.58 109.779 -179.801 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.531 -1.427 . . . . 6.9 109.531 179.892 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.272 -0.64 . . . . 7.36 109.272 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' D' ' 322' ' ' PRO . 87.3 mttt 54.4 -136.25 1.34 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.875 . . . . 7.15 109.831 179.853 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 17.0 mmtp 19.61 -81.05 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.49 0 CA-C-O 118.095 -0.955 . . . . 6.5 112.53 -179.632 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' D' ' 320' ' ' LYS . 1.0 OUTLIER -54.73 -45.7 38.98 Favored 'Trans proline' 0 N--CA 1.482 0.842 0 CA-C-N 120.717 1.292 . . . . 4.5 110.69 179.745 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.2 mm? -77.82 33.56 0.18 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.229 -0.919 . . . . 4.32 110.305 -179.098 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -78.12 107.76 10.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.128 -0.982 . . . . 2.46 109.226 179.695 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.14 155.94 51.99 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.882 -1.287 . . . . 0.97 109.882 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.42 124.9 21.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 1.67 109.422 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 72.7 m-85 -97.3 153.09 18.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.204 -0.935 . . . . 0.61 110.008 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.3 137.67 34.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.744 -0.836 . . . . 0.56 108.744 179.082 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -94.7 163.45 13.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.873 . . . . 0.43 109.093 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.0 132.78 16.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.35 110.142 -179.059 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.69 127.24 34.0 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.614 -0.884 . . . . 1.37 108.614 179.422 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.27 111.22 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.51 -0.744 . . . . 0.48 109.84 -179.317 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.36 152.53 38.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.421 -0.8 . . . . 2.08 109.624 179.49 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 131.78 4.17 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.011 -1.236 . . . . 0.4 110.011 179.511 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.87 -51.82 8.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -1.103 . . . . 2.64 109.634 179.94 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.31 -38.93 78.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.11 -0.994 . . . . 2.22 109.77 -179.641 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -62.96 -42.09 99.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.218 -0.926 . . . . 2.74 109.705 -179.951 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.71 -53.46 51.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.453 -0.779 . . . . 0.43 109.89 -179.773 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.62 57.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.69 110.061 -179.531 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.16 -51.26 67.13 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.208 -0.933 . . . . 0.43 110.495 -179.08 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.7 -42.61 97.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.27 109.037 -179.644 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.4 63.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.294 -0.879 . . . . 2.45 109.476 179.772 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.78 -46.34 90.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.75 109.957 -179.669 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.98 -41.1 95.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 0.31 109.492 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.87 -50.32 74.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.157 -0.965 . . . . 1.22 109.689 179.888 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.72 -35.94 81.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 1.73 109.71 -179.721 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -53.5 57.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.171 -0.956 . . . . 0.28 109.963 -179.61 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.7 -42.62 99.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.89 . . . . 0.31 109.42 -179.845 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.29 -35.33 73.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 1.91 109.252 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -65.96 -52.39 50.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -0.84 . . . . 0.43 109.175 179.874 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.96 -36.43 79.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 1.57 109.089 179.756 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' B' ' 337' ' ' ARG . 9.7 m-20 -55.8 -36.18 67.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.489 -0.757 . . . . 1.44 109.239 179.823 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.96 80.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.64 109.601 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.51 -4.21 55.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.889 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -87.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 1.22 109.629 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.61 72.51 1.01 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.767 -1.333 . . . . 1.5 109.767 -179.852 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.04 114.93 23.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 4.18 109.12 179.876 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.33 109.6 1.04 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.347 -0.846 . . . . 5.67 109.492 -179.883 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.89 136.4 61.37 Favored 'Trans proline' 0 C--O 1.215 -0.646 0 N-CA-C 109.801 -0.884 . . . . 5.65 109.801 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.487 -1.445 . . . . 7.27 109.487 179.91 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.252 -0.647 . . . . 7.33 109.252 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 321' ' ' LYS . 20.1 mtmm 52.36 50.35 18.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 7.21 109.885 179.689 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 320' ' ' LYS . 48.0 mttp 56.73 152.12 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.796 -0.565 . . . . 6.47 109.781 179.573 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.3 -81.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 121.091 1.194 . . . . 4.53 110.584 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.82 121.34 25.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.209 -0.932 . . . . 4.35 110.03 -178.953 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -81.97 -133.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 2.48 109.494 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.55 171.39 40.89 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.011 -1.236 . . . . 0.98 110.011 -179.956 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -60.43 137.87 58.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.385 -1.068 . . . . 1.7 109.742 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -95.83 158.4 15.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.272 -0.893 . . . . 0.61 109.89 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 98.4 m-85 -140.08 -169.68 2.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.479 -0.763 . . . . 0.58 109.489 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.48 151.03 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.241 -0.912 . . . . 0.42 108.676 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -142.69 134.16 26.39 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.314 -0.866 . . . . 0.36 110.073 -178.327 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 35.2 tp60 -84.65 129.03 34.89 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.513 -0.921 . . . . 1.37 108.513 178.917 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.38 113.71 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.442 -0.786 . . . . 0.47 109.115 -179.68 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.81 147.55 41.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.537 -0.727 . . . . 2.1 109.751 179.922 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.02 136.83 5.4 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.108 -1.197 . . . . 0.42 110.108 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.27 -50.51 8.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -1.108 . . . . 2.68 109.341 179.694 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.02 -37.99 69.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.215 -0.928 . . . . 2.22 109.02 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.75 -44.5 85.76 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.691 -0.855 . . . . 2.77 108.691 179.244 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.86 -50.8 69.59 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.703 -0.623 . . . . 0.43 109.81 179.912 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.59 -40.09 62.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.336 -0.853 . . . . 1.66 110.014 -179.484 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.94 -49.5 74.52 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.234 -0.916 . . . . 0.44 110.341 -179.133 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.84 -44.27 97.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.29 109.29 -179.642 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.94 -43.44 60.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 2.44 109.467 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.03 -49.65 76.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 1.74 109.454 -179.996 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.09 -36.35 77.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 0.3 108.602 179.582 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.76 -57.99 10.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 1.22 109.367 179.571 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.3 -32.0 73.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.465 -0.772 . . . . 1.72 109.925 -179.753 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.26 66.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 0.27 109.918 -179.396 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.14 -47.51 85.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 0.29 109.368 -179.959 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.79 62.2 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.278 -0.889 . . . . 1.91 108.865 179.643 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.408 ' CD1' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -66.16 -57.95 6.5 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.348 -0.982 . . . . 0.41 108.348 179.826 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.473 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.13 71.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.843 0.83 . . . . 1.56 108.778 -179.819 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.37 -37.96 76.28 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.739 -0.601 . . . . 1.43 109.668 179.6 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.39 72.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 0.66 109.822 -179.634 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -80.39 1.79 27.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.18 109.732 -179.724 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.34 -84.57 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.167 -0.958 . . . . 1.23 109.423 179.952 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.21 99.08 1.79 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.537 -1.425 . . . . 1.54 109.537 179.981 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.25 93.26 9.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.249 -1.148 . . . . 4.18 109.358 179.981 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.4 119.08 12.14 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 5.71 109.345 179.956 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.02 135.32 65.73 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 N-CA-C 109.81 -0.881 . . . . 5.61 109.81 179.883 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 118.005 -1.442 . . . . 7.24 109.529 -179.918 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.26 -0.644 . . . . 7.34 109.26 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' B' ' 321' ' ' LYS . 20.2 mtmm 52.39 50.36 18.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.836 . . . . 7.17 109.964 179.732 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' B' ' 320' ' ' LYS . 47.9 mttp 56.79 152.23 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.836 -0.54 . . . . 6.44 109.731 179.598 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -61.4 -80.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.055 1.17 . . . . 4.54 110.642 -179.986 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.86 121.32 25.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 4.32 109.985 -178.973 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -81.97 -133.35 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.39 -0.819 . . . . 2.47 109.485 179.599 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.87 171.42 41.89 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.893 -1.283 . . . . 0.95 109.893 -179.858 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -60.41 137.77 58.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -1.12 . . . . 1.61 109.789 179.992 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.69 158.39 15.47 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.276 -0.89 . . . . 0.57 109.891 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.491 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 98.3 m-85 -139.99 -169.61 2.77 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.364 -0.835 . . . . 0.53 109.465 -179.94 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.37 151.3 32.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.287 -0.883 . . . . 0.38 108.698 179.803 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.03 133.87 25.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.124 -0.985 . . . . 0.36 110.082 -178.339 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 34.6 tp60 -84.46 129.07 34.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.499 -0.926 . . . . 1.36 108.499 179.024 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.32 113.69 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.412 -0.805 . . . . 0.49 109.238 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.9 147.62 40.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.525 -0.735 . . . . 2.1 109.713 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 136.87 5.37 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.999 -1.24 . . . . 0.44 109.999 179.546 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -50.49 8.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.334 -1.098 . . . . 2.72 109.306 179.649 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.21 -37.47 69.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.212 -0.93 . . . . 2.21 108.983 -179.947 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.2 -44.37 84.1 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.659 -0.867 . . . . 2.79 108.659 179.299 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.94 -50.72 69.99 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.736 -0.603 . . . . 0.45 109.751 179.913 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.66 -40.13 62.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.376 -0.827 . . . . 1.68 109.962 -179.412 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.89 -49.53 74.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.287 -0.883 . . . . 0.43 110.358 -179.169 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -60.79 -44.33 96.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.069 -1.019 . . . . 0.28 109.251 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.97 -43.52 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.927 . . . . 2.52 109.366 179.738 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.91 -49.79 76.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 1.75 109.44 -179.993 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.11 -36.38 77.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.216 -0.928 . . . . 0.31 108.576 179.666 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.69 -57.98 10.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.416 -0.802 . . . . 1.21 109.358 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.34 -32.14 73.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.431 -0.793 . . . . 1.69 109.939 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.18 66.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.27 109.92 -179.408 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.32 -47.27 86.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 0.3 109.32 -179.94 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -57.88 -26.79 62.59 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.297 -0.877 . . . . 1.93 108.778 179.671 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -66.07 -57.84 6.81 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.401 -0.963 . . . . 0.4 108.401 179.773 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 2.7 ttmp? -59.04 -34.22 71.67 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.771 -0.826 . . . . 1.59 108.771 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.774 -0.579 . . . . 1.43 109.615 179.612 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -46.48 72.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.65 109.84 -179.659 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -80.37 1.74 27.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -0.902 . . . . 1.19 109.679 -179.687 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.39 -84.54 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.141 -0.975 . . . . 1.22 109.398 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.22 99.08 1.79 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.621 -1.392 . . . . 1.53 109.621 179.952 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.18 93.26 9.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.235 . . . . 4.21 109.379 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.51 119.12 12.44 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 5.68 109.258 -179.983 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.03 135.38 66.09 Favored 'Trans proline' 0 C--O 1.214 -0.708 0 N-CA-C 109.763 -0.899 . . . . 5.57 109.763 179.841 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.986 -1.452 . . . . 7.2 109.545 -179.976 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.237 -0.653 . . . . 8.96 109.237 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' C' ' 321' ' ' LYS . 20.1 mtmm 52.45 50.26 18.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.301 -0.874 . . . . 8.15 109.9 179.645 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' C' ' 320' ' ' LYS . 48.0 mttp 56.83 152.19 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.821 -0.55 . . . . 7.15 109.662 179.52 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.27 -81.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.794 0 C-N-CA 121.092 1.194 . . . . 4.35 110.629 179.965 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.81 121.29 25.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 4.63 110.039 -178.967 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -81.99 -133.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.823 . . . . 2.85 109.546 179.58 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.81 171.36 41.78 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.933 -1.267 . . . . 1.12 109.933 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.38 137.82 58.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.332 -1.099 . . . . 2.11 109.743 179.98 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.74 158.47 15.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.324 -0.86 . . . . 0.64 109.846 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 98.5 m-85 -140.07 -169.44 2.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.49 109.496 179.99 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.74 150.86 31.56 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.637 -0.875 . . . . 0.47 108.637 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -142.62 134.21 26.61 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.29 -0.881 . . . . 0.42 110.042 -178.293 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 35.1 tp60 -84.74 129.04 34.88 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.474 -0.935 . . . . 1.81 108.474 178.994 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.37 113.79 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.406 -0.809 . . . . 0.42 109.161 -179.675 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.86 147.45 41.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.588 -0.695 . . . . 2.35 109.835 179.931 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.05 136.9 5.44 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.06 -1.216 . . . . 0.41 110.06 179.579 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.594 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -50.4 8.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.334 -1.098 . . . . 2.59 109.334 179.713 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.1 -37.91 70.03 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.254 -0.904 . . . . 2.54 108.993 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.83 -44.48 85.42 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.677 -0.86 . . . . 3.39 108.677 179.268 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.82 -50.88 69.32 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.616 -0.677 . . . . 0.47 109.809 179.861 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.6 -40.09 62.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.373 -0.829 . . . . 1.66 109.995 -179.467 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.9 -49.44 74.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.318 -0.864 . . . . 0.61 110.43 -179.212 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.9 -44.3 97.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.066 -1.021 . . . . 0.33 109.216 -179.609 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -50.94 -43.52 60.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 3.28 109.39 179.71 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.92 -49.77 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.78 109.469 179.987 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.98 -36.47 77.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 0.38 108.564 179.622 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.64 -58.0 10.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.518 -0.739 . . . . 1.2 109.313 179.634 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.36 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 2.12 109.94 -179.726 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.25 66.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.241 -0.912 . . . . 0.26 109.93 -179.489 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.23 -47.33 86.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.082 -1.011 . . . . 0.4 109.364 -179.942 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -57.83 -26.81 62.53 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.09 108.768 179.66 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -57.97 6.59 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.331 -0.989 . . . . 0.75 108.331 179.798 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.2 71.6 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.773 -0.825 . . . . 2.19 108.773 -179.831 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.31 -38.01 76.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.312 0.577 . . . . 1.34 109.7 179.573 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.48 71.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.902 . . . . 0.72 109.826 -179.619 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -80.32 1.76 27.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.292 -0.88 . . . . 1.8 109.712 -179.737 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.29 -84.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.095 -1.003 . . . . 1.39 109.412 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.14 99.02 1.78 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.582 -1.407 . . . . 1.66 109.582 179.94 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.17 93.27 9.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.244 -1.151 . . . . 4.45 109.356 179.967 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.53 119.14 12.53 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.332 -0.855 . . . . 6.19 109.246 -179.967 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.04 135.41 66.25 Favored 'Trans proline' 0 C--O 1.215 -0.653 0 N-CA-C 109.743 -0.907 . . . . 5.58 109.743 179.809 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 CA-C-O 117.99 -1.45 . . . . 6.9 109.523 -179.957 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.299 -0.63 . . . . 7.36 109.299 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' D' ' 321' ' ' LYS . 20.1 mtmm 52.38 50.4 18.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.287 -0.883 . . . . 7.15 109.903 179.732 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' D' ' 320' ' ' LYS . 47.9 mttp 56.75 152.2 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.826 -0.546 . . . . 6.5 109.756 179.523 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.36 -80.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.74 0 C-N-CA 121.115 1.21 . . . . 4.5 110.615 -179.981 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.85 121.38 25.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.219 -0.926 . . . . 4.32 109.957 -178.962 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.03 -133.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.356 -0.84 . . . . 2.46 109.475 179.524 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.67 171.42 41.21 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.923 -1.271 . . . . 0.97 109.923 -179.825 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.42 137.77 58.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.346 -1.09 . . . . 1.67 109.634 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.77 158.12 15.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.374 -0.829 . . . . 0.61 109.899 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.551 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 98.3 m-85 -139.87 -169.79 2.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.395 -0.816 . . . . 0.56 109.502 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.05 151.67 33.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.205 -0.935 . . . . 0.43 108.633 179.872 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.5 tp -143.37 133.7 24.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.27 -0.894 . . . . 0.35 109.994 -178.3 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 35.1 tp60 -84.31 129.09 34.9 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.505 -0.924 . . . . 1.37 108.505 178.974 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.42 113.81 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.372 -0.83 . . . . 0.48 109.205 -179.788 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.91 147.51 40.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.49 -0.756 . . . . 2.08 109.727 -179.958 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 136.84 5.44 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.041 -1.224 . . . . 0.4 110.041 179.547 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.25 -50.46 8.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -1.093 . . . . 2.64 109.323 179.656 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -56.17 -37.68 69.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.215 -0.928 . . . . 2.22 108.969 -179.988 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -65.97 -44.52 84.69 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.659 -0.867 . . . . 2.74 108.659 179.21 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.76 -50.93 69.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.668 -0.645 . . . . 0.43 109.768 179.944 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -52.52 -40.06 62.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 1.69 110.062 -179.508 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.94 -49.54 74.33 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.259 -0.901 . . . . 0.43 110.422 -179.197 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.72 -44.34 96.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.053 -1.029 . . . . 0.27 109.265 -179.691 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.02 -43.4 60.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.296 -0.878 . . . . 2.45 109.378 179.773 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.94 -49.78 76.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -0.941 . . . . 1.75 109.497 179.964 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -36.5 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.31 108.595 179.637 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -58.61 -57.96 10.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.498 -0.751 . . . . 1.22 109.392 179.559 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.37 -32.04 73.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 1.73 109.971 -179.776 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.426 ' HB2' ' HZ3' ' C' ' 351' ' ' LYS . . . -58.86 -52.23 66.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.28 109.883 -179.423 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -47.39 86.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.31 109.286 -179.855 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.69 62.06 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.307 -0.871 . . . . 1.91 108.863 179.589 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -58.0 6.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.329 -0.989 . . . . 0.43 108.329 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.486 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 2.7 ttmp? -58.94 -34.11 71.38 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.838 0.828 . . . . 1.57 108.804 -179.862 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.42 -37.94 76.41 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.35 0.595 . . . . 1.44 109.586 179.67 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.5 71.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.143 -0.973 . . . . 0.64 109.816 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -80.28 1.68 27.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.308 -0.87 . . . . 1.21 109.758 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.24 -84.56 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.12 -0.987 . . . . 1.22 109.46 179.938 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.22 99.04 1.79 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.624 -1.39 . . . . 1.5 109.624 179.939 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.15 93.26 9.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -1.184 . . . . 4.18 109.318 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.45 119.06 12.19 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 5.67 109.308 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -58.97 135.39 66.35 Favored 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.861 -0.861 . . . . 5.65 109.861 179.778 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 CA-C-O 117.921 -1.488 . . . . 7.27 109.6 -179.967 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.332 -0.618 . . . . 7.33 109.332 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.5 OUTLIER 73.1 -38.19 0.41 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 7.21 109.469 179.958 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 319' ' ' LYS . 47.3 tttm 52.63 67.86 3.56 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 6.47 109.819 179.83 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.85 133.0 36.97 Favored 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.453 1.435 . . . . 4.53 109.947 -179.772 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.9 mt -80.98 111.57 17.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 4.35 109.226 179.717 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.96 -148.98 0.05 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.34 -0.85 . . . . 2.48 109.808 -179.832 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 179.72 21.88 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.784 -1.327 . . . . 0.98 109.784 -179.866 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.97 136.29 57.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 1.7 109.728 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.09 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.253 -0.904 . . . . 0.61 109.534 179.768 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.93 -172.91 3.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.58 109.419 -179.943 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -150.93 150.14 30.48 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.558 -0.904 . . . . 0.42 108.558 -179.982 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -141.74 132.27 25.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.258 -0.902 . . . . 0.36 109.693 -178.771 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -85.64 129.87 34.71 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.828 -0.804 . . . . 1.37 108.828 179.304 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.57 114.18 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.446 -0.784 . . . . 0.47 109.1 -179.759 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.79 144.87 43.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.434 -0.791 . . . . 2.1 109.783 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.43 134.67 5.37 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.114 -1.194 . . . . 0.42 110.114 179.532 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -80.92 -42.89 20.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.464 -1.021 . . . . 2.68 109.32 179.566 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.41 -45.32 88.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 2.22 109.336 179.772 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.7 -40.68 97.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 2.77 109.227 179.871 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.14 -54.0 50.36 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.522 -0.736 . . . . 0.43 109.99 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -50.84 -39.07 52.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 1.66 110.123 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.92 -51.18 67.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.196 -0.94 . . . . 0.44 110.302 -179.362 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -45.66 93.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.079 -1.013 . . . . 0.29 109.188 -179.732 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.53 -42.52 61.84 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.282 -0.887 . . . . 2.44 109.511 179.733 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.22 -51.08 71.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 1.74 109.809 -179.77 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.51 -37.01 79.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.16 -0.962 . . . . 0.3 108.801 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.63 -54.48 46.64 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.41 -0.806 . . . . 1.22 109.392 179.654 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.77 -32.42 73.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.394 -0.816 . . . . 1.72 109.812 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.85 -56.67 19.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.348 -0.845 . . . . 0.27 110.115 -179.446 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.82 -42.76 98.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.14 -0.975 . . . . 0.29 109.284 -179.813 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.26 -37.1 74.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 1.91 108.867 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.65 -42.44 98.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.517 -0.92 . . . . 0.41 108.517 179.56 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.67 -53.8 41.75 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.802 -0.814 . . . . 1.56 108.802 178.916 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.1 62.12 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.736 -0.602 . . . . 1.43 109.603 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.35 85.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.66 109.494 -179.811 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -82.62 -10.83 58.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.865 . . . . 1.18 109.318 179.934 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -7.11 48.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.92 . . . . 1.23 109.283 179.778 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -9.5 78.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.366 -1.494 . . . . 1.54 109.366 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.05 136.17 33.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -1.134 . . . . 4.18 109.273 -179.942 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 360' ' ' GLY . 97.3 mt-10 -51.1 150.7 5.42 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 5.71 109.116 -179.805 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.55 4.25 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 120.89 1.06 . . . . 5.61 110.137 179.297 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.008 -1.44 . . . . 7.24 109.666 -179.95 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' B' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.399 -0.593 . . . . 7.34 109.399 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.5 OUTLIER 73.04 -38.17 0.41 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.508 -0.745 . . . . 7.17 109.525 -179.927 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' B' ' 319' ' ' LYS . 47.3 tttm 52.67 67.78 3.62 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.162 -0.961 . . . . 6.44 109.837 179.836 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.79 133.02 37.22 Favored 'Trans proline' 0 C--N 1.316 -1.142 0 C-N-CA 121.391 1.394 . . . . 4.54 110.005 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.06 111.66 17.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 4.32 109.221 179.747 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.06 -149.0 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.47 109.769 -179.796 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 179.59 22.06 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.95 109.757 -179.804 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -59.95 136.23 57.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -1.091 . . . . 1.61 109.784 -179.94 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -94.06 162.34 13.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.275 -0.891 . . . . 0.57 109.552 179.841 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.9 -172.87 3.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.352 -0.843 . . . . 0.53 109.425 -179.864 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -151.0 150.19 30.47 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.566 -0.902 . . . . 0.38 108.566 -179.979 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.87 132.23 25.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.275 -0.891 . . . . 0.36 109.648 -178.688 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.62 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.808 -0.812 . . . . 1.36 108.808 179.349 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.56 114.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.51 -0.744 . . . . 0.49 109.092 -179.815 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.8 144.84 43.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.455 -0.778 . . . . 2.1 109.825 -179.964 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.46 134.59 5.36 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.182 -1.167 . . . . 0.44 110.182 179.573 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.85 -42.91 20.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.414 -1.05 . . . . 2.72 109.273 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.4 -45.39 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.21 109.28 179.799 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.68 -40.67 97.84 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.296 -0.877 . . . . 2.79 109.287 179.923 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.09 -54.0 50.3 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.513 -0.742 . . . . 0.45 109.953 -179.85 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -50.84 -39.2 52.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.841 . . . . 1.68 110.037 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.82 -51.18 68.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.206 -0.934 . . . . 0.43 110.288 -179.308 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.31 -45.69 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 0.28 109.188 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.41 -42.67 61.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.287 -0.883 . . . . 2.52 109.472 179.67 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.17 -51.13 70.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.127 -0.983 . . . . 1.75 109.858 -179.753 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.53 -36.91 79.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.31 108.788 179.936 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.67 -54.44 47.07 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.427 -0.796 . . . . 1.21 109.388 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.48 73.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.337 -0.852 . . . . 1.69 109.741 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.7 18.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.27 110.072 -179.484 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.83 -42.82 98.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.101 -0.999 . . . . 0.3 109.32 -179.785 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.31 -36.97 74.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.193 -0.942 . . . . 1.93 108.911 179.578 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.66 -42.42 98.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.484 -0.932 . . . . 0.4 108.484 179.477 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.65 -53.85 41.02 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.779 -0.822 . . . . 1.59 108.779 178.899 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -30.08 62.13 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.792 -0.567 . . . . 1.43 109.64 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.43 85.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 0.65 109.5 -179.802 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -82.52 -10.86 58.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 1.19 109.363 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.52 -7.13 48.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 1.22 109.301 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -9.41 79.24 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.413 -1.475 . . . . 1.53 109.413 179.876 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.04 136.16 33.35 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.181 -1.188 . . . . 4.21 109.312 179.962 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 360' ' ' GLY . 97.2 mt-10 -51.26 150.79 5.69 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.225 -0.922 . . . . 5.68 109.107 -179.727 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.54 4.22 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 120.953 1.102 . . . . 5.57 110.162 179.313 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.361 0 CA-C-O 118.04 -1.422 . . . . 7.2 109.586 179.991 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' C' ' 321' ' ' LYS . 16.9 pttp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.428 -0.582 . . . . 8.96 109.428 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.5 OUTLIER 73.17 -38.25 0.41 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.62 -0.675 . . . . 8.15 109.482 -179.989 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' C' ' 319' ' ' LYS . 47.3 tttm 52.66 67.87 3.55 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 7.15 109.764 179.845 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.77 132.92 36.86 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 121.425 1.417 . . . . 4.35 109.984 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 43.0 mt -80.97 111.72 17.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 4.63 109.26 179.653 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.09 -148.95 0.06 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 2.85 109.753 -179.788 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 179.69 22.16 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.772 -1.331 . . . . 1.12 109.772 -179.801 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.94 136.23 57.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.346 -1.091 . . . . 2.11 109.718 -179.94 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.0 162.42 13.89 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -0.918 . . . . 0.64 109.601 179.73 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.06 -172.95 3.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.49 109.461 -179.917 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -150.95 150.06 30.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.25 -0.907 . . . . 0.47 108.627 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.69 132.39 25.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.278 -0.889 . . . . 0.42 109.706 -178.747 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.71 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.791 -0.818 . . . . 1.81 108.791 179.399 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.58 114.14 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.433 -0.792 . . . . 0.42 109.084 -179.745 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.73 144.82 43.48 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.391 -0.818 . . . . 2.35 109.777 -179.924 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.36 134.59 5.32 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.139 -1.184 . . . . 0.41 110.139 179.558 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.8 -42.91 20.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.445 -1.032 . . . . 2.59 109.246 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.52 -45.27 89.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.316 -0.865 . . . . 2.54 109.278 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -62.71 -40.65 97.84 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.272 -0.893 . . . . 3.39 109.283 179.81 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.18 -54.02 50.18 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.74 . . . . 0.47 109.93 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.74 -39.25 51.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.322 -0.861 . . . . 1.66 110.034 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.9 -51.07 68.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.177 -0.952 . . . . 0.61 110.305 -179.288 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.37 -45.64 93.51 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.33 109.192 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.49 -42.51 61.73 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.357 -0.839 . . . . 3.28 109.538 179.66 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.26 -51.05 71.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.202 -0.936 . . . . 1.78 109.818 -179.766 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.58 -36.97 79.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.38 108.761 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.66 -54.48 46.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.465 -0.772 . . . . 1.2 109.427 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.66 -32.57 73.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.387 -0.821 . . . . 2.12 109.799 -179.897 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -56.75 18.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.26 110.117 -179.463 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -42.73 98.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.4 109.36 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.32 -37.01 74.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.144 -0.972 . . . . 2.09 108.871 179.528 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.68 -42.49 98.01 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.492 -0.929 . . . . 0.75 108.492 179.492 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.64 -53.73 42.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.796 -0.816 . . . . 2.19 108.796 178.959 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.18 62.22 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.237 0.541 . . . . 1.34 109.647 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.4 85.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 0.72 109.54 -179.857 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -82.51 -10.89 58.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 1.8 109.389 179.869 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.47 -7.12 48.27 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 1.39 109.29 179.818 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -9.5 79.1 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.423 -1.471 . . . . 1.66 109.423 179.92 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.07 136.27 33.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -1.123 . . . . 4.45 109.259 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' C' ' 360' ' ' GLY . 97.3 mt-10 -51.22 150.76 5.62 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.182 -0.948 . . . . 6.19 109.144 -179.783 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.46 4.06 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 120.946 1.097 . . . . 5.58 110.165 179.308 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.934 -1.481 . . . . 6.9 109.642 -179.962 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' D' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.419 -0.586 . . . . 7.36 109.419 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.5 OUTLIER 73.1 -38.24 0.41 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.619 -0.676 . . . . 7.15 109.534 -179.924 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' D' ' 319' ' ' LYS . 47.2 tttm 52.61 67.85 3.57 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 6.5 109.82 179.874 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.7 132.91 37.02 Favored 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.449 1.433 . . . . 4.5 110.001 -179.884 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 42.9 mt -80.91 111.68 17.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.28 -0.887 . . . . 4.32 109.227 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.09 -148.97 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 2.46 109.76 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.78 179.74 21.94 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.797 -1.321 . . . . 0.97 109.797 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.09 136.24 57.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -1.089 . . . . 1.67 109.755 -179.902 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.07 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.347 -0.846 . . . . 0.61 109.565 179.791 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -139.85 -172.87 3.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.283 -0.885 . . . . 0.56 109.437 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -150.99 150.21 30.51 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.541 -0.911 . . . . 0.43 108.541 179.986 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -141.89 132.2 25.02 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.93 . . . . 0.35 109.695 -178.735 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.56 129.93 34.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.803 -0.814 . . . . 1.37 108.803 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.6 114.22 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.392 -0.818 . . . . 0.48 109.099 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.86 144.81 43.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.429 -0.795 . . . . 2.08 109.742 -179.855 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.45 134.68 5.38 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.125 -1.19 . . . . 0.4 110.125 179.548 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.92 -42.89 20.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.449 -1.03 . . . . 2.64 109.269 179.633 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.49 -45.3 89.0 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.35 -0.844 . . . . 2.22 109.239 179.819 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.303 -0.873 . . . . 2.74 109.266 179.864 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -56.12 -53.99 50.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.544 -0.723 . . . . 0.43 109.986 -179.845 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.79 -39.14 52.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.421 -0.799 . . . . 1.69 110.121 -179.574 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.95 -51.13 68.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.175 -0.953 . . . . 0.43 110.317 -179.305 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.19 -45.7 93.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.138 -0.976 . . . . 0.27 109.233 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.5 -42.52 61.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.223 -0.923 . . . . 2.45 109.542 179.712 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.18 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.02 . . . . 1.75 109.828 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.51 -37.02 79.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.31 108.761 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.68 -54.36 47.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.22 109.438 179.63 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.46 73.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.377 -0.827 . . . . 1.73 109.776 -179.834 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.79 -56.7 18.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.87 . . . . 0.28 110.093 -179.491 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.77 -42.86 98.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.31 109.317 -179.789 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.22 -37.06 74.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.954 . . . . 1.91 108.881 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -42.65 98.25 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.508 -0.923 . . . . 0.43 108.508 179.484 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.52 -53.83 41.86 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.76 -0.829 . . . . 1.57 108.76 179.02 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.23 62.12 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.219 0.533 . . . . 1.44 109.613 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.39 85.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.64 109.431 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -82.58 -10.87 58.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.279 -0.888 . . . . 1.21 109.331 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.47 -7.09 48.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 1.22 109.263 179.829 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -9.49 78.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.375 -1.49 . . . . 1.5 109.375 179.921 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -85.99 136.13 33.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -1.133 . . . . 4.18 109.287 179.979 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' D' ' 360' ' ' GLY . 97.2 mt-10 -51.18 150.77 5.53 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 5.67 109.081 -179.773 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.52 4.14 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 120.945 1.097 . . . . 5.65 110.159 179.297 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.375 0 CA-C-O 117.989 -1.45 . . . . 7.27 109.567 -179.95 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.51 -0.552 . . . . 7.33 109.51 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 76.7 mttt 55.03 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.43 -0.794 . . . . 7.21 109.824 -179.935 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 319' ' ' LYS . 33.7 ttpt 58.08 69.43 1.52 Allowed Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.207 -0.933 . . . . 6.47 109.399 -179.869 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.71 -34.57 73.12 Favored 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.748 1.632 . . . . 4.53 110.835 -179.311 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.36 104.54 10.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.983 -1.073 . . . . 4.35 109.89 -179.371 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.09 105.68 14.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 2.48 109.502 179.611 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.454 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.17 153.42 51.0 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.86 -1.296 . . . . 0.98 109.86 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.27 126.11 26.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.203 -1.175 . . . . 1.7 109.1 179.537 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 66.4 m-85 -95.44 153.33 17.75 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.197 -0.94 . . . . 0.61 110.021 -179.761 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -140.77 137.25 33.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.866 -0.79 . . . . 0.58 108.866 179.256 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.77 163.68 13.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.348 -0.845 . . . . 0.42 109.221 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.55 132.92 14.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.36 109.866 -179.563 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.85 128.02 34.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.467 -0.938 . . . . 1.37 108.467 179.038 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.43 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.625 -0.672 . . . . 0.47 110.051 -179.377 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 333' ' ' ARG . 21.3 ttt-85 -75.68 153.31 37.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 2.1 109.69 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.13 133.8 2.15 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.202 -1.159 . . . . 0.42 110.202 179.381 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -81.16 -50.13 9.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -1.089 . . . . 2.68 109.455 179.633 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.09 -40.01 80.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 2.22 108.995 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.82 -45.54 92.12 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.625 -0.88 . . . . 2.77 108.625 179.337 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -56.06 -50.11 71.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.599 -0.688 . . . . 0.43 109.355 179.457 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.76 -42.19 64.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.66 110.119 -179.668 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.57 -49.05 76.81 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.21 -0.931 . . . . 0.44 110.469 -179.141 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.48 -46.22 90.96 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.145 -0.972 . . . . 0.29 109.37 -179.66 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.97 -45.29 64.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.198 -0.939 . . . . 2.44 109.447 179.699 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.94 -47.62 85.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.74 109.878 -179.822 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.48 -41.81 97.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.3 109.296 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.81 -50.35 74.3 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.174 -0.954 . . . . 1.22 109.26 179.538 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.4 -33.64 75.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.385 -0.822 . . . . 1.72 109.595 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.67 -51.0 71.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 0.27 109.643 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.12 -43.81 98.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.29 109.351 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.87 -35.32 72.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -0.891 . . . . 1.91 109.494 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -65.78 -52.6 49.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.3 -0.875 . . . . 0.41 109.209 -179.874 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.7 -35.55 76.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.34 -0.85 . . . . 1.56 109.09 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.388 -0.82 . . . . 1.43 109.157 179.771 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.06 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.66 109.662 179.932 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -80.64 3.99 20.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.379 -0.826 . . . . 1.18 109.865 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -81.07 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.169 -0.957 . . . . 1.23 109.644 -179.98 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.79 55.15 3.43 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.876 -1.29 . . . . 1.54 109.876 -179.728 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.44 118.8 26.1 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.124 -1.221 . . . . 4.18 109.215 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 360' ' ' GLY . 16.2 mp0 -50.75 152.5 3.47 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.908 . . . . 5.71 109.284 -179.552 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.29 4.62 0.23 Allowed 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 121.09 1.193 . . . . 5.61 110.165 179.339 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.43 0 N-CA-C 109.327 -1.509 . . . . 7.24 109.327 -179.901 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' B' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.391 -0.596 . . . . 7.34 109.391 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 76.7 mttt 55.11 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.337 -0.852 . . . . 7.17 109.783 -179.864 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 319' ' ' LYS . 33.7 ttpt 58.11 69.5 1.49 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.227 -0.921 . . . . 6.44 109.395 -179.857 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.8 -34.62 72.08 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.765 1.643 . . . . 4.54 110.831 -179.232 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.3 mt -80.24 104.47 10.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.992 -1.067 . . . . 4.32 109.957 -179.408 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.02 106.25 14.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 2.47 109.444 179.602 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.459 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.1 153.38 49.66 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.796 -1.322 . . . . 0.95 109.796 -179.823 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.05 126.12 26.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -1.13 . . . . 1.61 109.126 179.692 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.459 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 67.1 m-85 -95.47 153.26 17.79 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.57 109.969 -179.731 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -140.76 137.37 33.35 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.801 -0.814 . . . . 0.53 108.801 179.227 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.67 163.93 13.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 0.38 109.223 -179.945 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.8 132.8 14.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.36 109.929 -179.681 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -85.81 128.06 34.71 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.46 -0.941 . . . . 1.36 108.46 179.047 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.56 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.442 -0.786 . . . . 0.49 110.065 -179.412 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' B' ' 333' ' ' ARG . 21.7 ttt-85 -75.65 153.27 37.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.521 -0.737 . . . . 2.1 109.766 179.701 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.02 134.04 2.16 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.301 -1.12 . . . . 0.44 110.301 179.453 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.34 -50.2 9.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -1.092 . . . . 2.72 109.374 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -40.09 79.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -0.956 . . . . 2.21 108.969 179.7 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.73 -45.63 91.85 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.613 -0.884 . . . . 2.79 108.613 179.384 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.0 -50.05 71.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.64 -0.663 . . . . 0.45 109.431 179.463 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.77 -42.27 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.322 -0.861 . . . . 1.68 110.069 -179.71 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.49 -49.15 76.5 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.28 -0.887 . . . . 0.43 110.371 -179.099 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -61.56 -46.16 91.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.048 -1.032 . . . . 0.28 109.295 -179.54 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.04 -45.2 64.56 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.265 -0.897 . . . . 2.52 109.502 179.725 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.93 -47.76 84.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.75 109.804 -179.819 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.4 -41.74 97.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 0.31 109.331 -179.899 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.82 -50.4 74.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.078 -1.014 . . . . 1.21 109.236 179.507 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.33 -33.68 75.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.364 -0.835 . . . . 1.69 109.665 -179.976 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.62 -50.98 71.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.27 109.705 -179.77 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.01 -43.83 98.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.253 -0.905 . . . . 0.3 109.349 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.03 -35.18 72.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 1.93 109.458 -179.987 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -65.85 -52.55 49.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.4 109.219 -179.914 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.8 -35.47 76.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.251 -0.906 . . . . 1.59 109.128 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -34.42 66.94 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.458 -0.776 . . . . 1.43 109.193 179.639 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.1 63.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.288 -0.883 . . . . 0.65 109.666 179.943 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -80.67 3.9 20.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.277 -0.889 . . . . 1.19 109.788 -179.72 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.117 -0.99 . . . . 1.22 109.697 -179.996 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.86 55.15 3.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.869 -1.292 . . . . 1.53 109.869 -179.717 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.44 118.81 26.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.276 -1.131 . . . . 4.21 109.248 179.796 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 360' ' ' GLY . 16.1 mp0 -50.68 152.53 3.39 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 5.68 109.273 -179.531 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.34 4.68 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 121.065 1.176 . . . . 5.57 110.194 179.327 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.958 -1.468 . . . . 7.2 109.455 -179.816 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' C' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.411 -0.589 . . . . 8.96 109.411 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 76.8 mttt 55.05 -82.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.449 -0.782 . . . . 8.15 109.801 -179.874 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' C' ' 319' ' ' LYS . 33.7 ttpt 58.12 69.47 1.5 Allowed Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.314 -0.866 . . . . 7.15 109.401 -179.873 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.75 -34.59 72.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 121.783 1.655 . . . . 4.35 110.846 -179.305 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -80.26 104.41 10.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.01 -1.056 . . . . 4.63 109.924 -179.394 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.03 105.89 14.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.421 -0.799 . . . . 2.85 109.45 179.609 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.46 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -71.49 153.65 50.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.822 -1.311 . . . . 1.12 109.822 -179.921 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -60.48 126.22 26.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -1.174 . . . . 2.11 109.117 179.651 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.46 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 66.8 m-85 -95.4 153.28 17.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.197 -0.94 . . . . 0.64 109.96 -179.704 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -140.74 137.36 33.38 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.79 -0.818 . . . . 0.49 108.79 179.216 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.74 163.92 13.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 0.47 109.21 179.987 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.6 tp -151.73 132.85 14.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 0.42 109.887 -179.591 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.87 127.97 34.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.427 -0.953 . . . . 1.81 108.427 179.077 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.59 115.63 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.42 -0.8 . . . . 0.42 110.016 -179.444 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' C' ' 333' ' ' ARG . 21.6 ttt-85 -75.77 153.31 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.448 -0.783 . . . . 2.35 109.613 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.1 134.03 2.19 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 110.24 -1.144 . . . . 0.41 110.24 179.415 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.38 -50.18 9.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -1.135 . . . . 2.59 109.382 179.683 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.05 -40.16 80.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.54 108.923 179.716 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.62 -45.74 91.48 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.6 -0.889 . . . . 3.39 108.6 179.391 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -55.97 -50.1 71.73 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.631 -0.668 . . . . 0.47 109.404 179.481 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -52.77 -42.19 64.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 1.66 110.052 -179.684 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.63 -49.07 76.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.246 -0.909 . . . . 0.61 110.411 -179.083 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.5 -46.25 90.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.025 -1.047 . . . . 0.33 109.329 -179.638 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.98 -45.28 64.41 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.177 -0.952 . . . . 3.28 109.444 179.733 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.93 -47.7 85.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.78 109.84 -179.796 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.38 -41.87 97.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.38 109.271 -179.964 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.8 -50.36 74.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.208 -0.933 . . . . 1.2 109.259 179.629 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.37 -33.59 75.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.424 -0.797 . . . . 2.12 109.601 -179.972 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.26 109.667 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.04 -43.79 98.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.4 109.348 179.944 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.98 -35.25 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.895 . . . . 2.09 109.433 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -65.79 -52.52 50.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.176 -0.952 . . . . 0.75 109.216 -179.871 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.83 -35.49 76.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.832 . . . . 2.19 109.147 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.52 -34.28 66.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.533 -0.73 . . . . 1.34 109.228 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -49.06 62.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.72 109.608 179.981 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -80.68 3.92 20.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.331 -0.856 . . . . 1.8 109.813 -179.722 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.09 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 1.39 109.69 179.99 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.87 55.18 3.46 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.858 -1.297 . . . . 1.66 109.858 -179.707 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.4 118.81 26.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.213 -1.169 . . . . 4.45 109.2 179.772 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' C' ' 360' ' ' GLY . 16.2 mp0 -50.73 152.5 3.46 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 6.19 109.317 -179.593 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.29 4.69 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 121.048 1.166 . . . . 5.58 110.162 179.343 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.967 -1.463 . . . . 6.9 109.445 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' D' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.479 -0.563 . . . . 7.36 109.479 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 76.8 mttt 55.04 -82.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.467 -0.771 . . . . 7.15 109.872 -179.913 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' D' ' 319' ' ' LYS . 33.7 ttpt 58.16 69.32 1.53 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.218 -0.926 . . . . 6.5 109.493 -179.895 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.65 -34.58 73.72 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.791 1.66 . . . . 4.5 110.864 -179.224 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.6 mt -80.31 104.49 10.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 4.32 109.924 -179.378 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.08 105.86 14.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.382 -0.824 . . . . 2.46 109.472 179.623 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -71.49 153.56 50.67 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.909 -1.276 . . . . 0.97 109.909 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -60.25 126.07 26.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -1.128 . . . . 1.67 109.15 179.625 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 66.3 m-85 -95.32 153.21 17.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.148 -0.97 . . . . 0.61 110.033 -179.746 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -140.7 137.2 33.31 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.943 -0.762 . . . . 0.56 108.943 179.232 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.68 164.0 13.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.43 109.205 -179.912 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.75 132.82 14.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.251 -0.905 . . . . 0.35 109.889 -179.609 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -85.8 127.99 34.7 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.455 -0.943 . . . . 1.37 108.455 179.019 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.61 115.6 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.431 -0.793 . . . . 0.48 110.033 -179.481 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.472 ' HG2' HH11 ' D' ' 333' ' ' ARG . 21.4 ttt-85 -75.8 153.37 36.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 2.08 109.648 179.747 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.16 133.98 2.2 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.263 -1.135 . . . . 0.4 110.263 179.472 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.44 -50.12 9.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -1.147 . . . . 2.64 109.392 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.13 -40.02 80.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 2.22 108.935 179.663 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.76 -45.59 91.99 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.589 -0.893 . . . . 2.74 108.589 179.35 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.15 -50.03 72.28 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.69 -0.631 . . . . 0.43 109.33 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.82 -42.25 64.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.69 110.031 -179.625 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.49 -49.12 76.63 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.226 -0.922 . . . . 0.43 110.392 -179.128 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.51 -46.19 91.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.126 -0.984 . . . . 0.27 109.337 -179.581 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.05 -45.26 64.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.197 -0.94 . . . . 2.45 109.424 179.726 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.85 -47.75 84.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 1.75 109.857 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.44 -41.69 97.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.953 . . . . 0.31 109.367 -179.924 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.83 -50.47 73.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.218 -0.926 . . . . 1.22 109.199 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.27 -33.81 75.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 1.73 109.592 -179.963 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.57 -50.93 71.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 0.28 109.748 -179.733 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.08 -43.87 97.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.31 109.356 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.96 -35.18 72.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 1.91 109.499 179.971 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -65.84 -52.51 49.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.43 109.289 -179.925 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.74 -35.53 76.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 1.57 109.111 179.916 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.48 -34.42 66.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.458 -0.776 . . . . 1.44 109.206 179.655 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.29 -48.97 63.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.946 . . . . 0.64 109.712 179.985 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -80.75 4.04 20.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 1.21 109.829 -179.801 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.21 -80.96 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.111 -0.993 . . . . 1.22 109.64 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.86 55.13 3.45 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.841 -1.304 . . . . 1.5 109.841 -179.68 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.42 118.85 26.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.151 -1.205 . . . . 4.18 109.239 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' D' ' 360' ' ' GLY . 16.1 mp0 -50.71 152.55 3.4 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.857 . . . . 5.67 109.261 -179.534 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.37 4.67 0.23 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.123 1.215 . . . . 5.65 110.127 179.329 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.413 0 CA-C-O 117.931 -1.483 . . . . 7.27 109.417 -179.835 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.507 -0.553 . . . . 7.33 109.507 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 41.1 tttp 60.74 -75.86 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.57 -0.706 . . . . 7.21 109.835 179.944 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 319' ' ' LYS . 51.6 tttp 60.92 65.72 1.92 Allowed Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.468 -0.77 . . . . 6.47 109.904 -179.829 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.33 168.05 13.51 Favored 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.357 1.371 . . . . 4.53 109.365 179.672 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.3 94.75 6.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.062 -1.024 . . . . 4.35 109.362 179.876 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -84.7 -158.07 0.33 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.524 -0.735 . . . . 2.48 109.46 179.854 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.34 159.45 53.03 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.396 -1.482 . . . . 0.98 109.396 179.739 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -58.63 137.08 57.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -1.154 . . . . 1.7 109.573 -179.984 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -92.84 156.01 17.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.232 -0.917 . . . . 0.61 109.471 179.826 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.74 -173.57 3.6 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.362 -0.836 . . . . 0.58 109.601 -179.697 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.01 148.33 29.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.409 -0.96 . . . . 0.42 108.409 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -141.11 133.43 28.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.32 -0.862 . . . . 0.36 109.704 -178.572 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -85.06 132.02 34.38 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.411 -0.959 . . . . 1.37 108.411 179.043 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 77.9 mt -123.27 109.19 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.457 -0.777 . . . . 0.47 109.41 -179.468 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.27 22.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.428 -0.795 . . . . 2.1 109.372 179.635 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.62 132.49 4.93 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.691 -1.364 . . . . 0.42 109.691 179.843 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.18 -44.3 15.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -1.057 . . . . 2.68 109.335 179.728 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.08 -46.24 88.77 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.298 -0.876 . . . . 2.22 109.511 -179.94 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 17.7 ttm-85 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.1 -1.0 . . . . 2.77 109.7 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.15 -54.14 40.15 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.39 -0.818 . . . . 0.43 109.359 -179.841 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.63 -38.04 63.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.323 -0.861 . . . . 1.66 109.856 -179.932 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.28 -49.71 72.97 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.267 -0.895 . . . . 0.44 110.282 -179.112 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.29 -43.74 95.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.084 -1.01 . . . . 0.29 109.133 -179.81 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.1 -43.6 61.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.209 -0.932 . . . . 2.44 109.579 179.873 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.77 -45.45 94.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 1.74 109.767 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.3 -45.73 93.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.328 -0.857 . . . . 0.3 109.471 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.43 -48.33 82.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.187 -0.946 . . . . 1.22 109.587 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.13 -38.65 92.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.924 . . . . 1.72 109.873 -179.686 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.61 -56.1 26.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.271 -0.893 . . . . 0.27 109.994 -179.569 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.28 -40.68 95.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.29 109.457 -179.732 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.7 -36.32 80.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 1.91 109.346 179.445 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 63.7 tp -62.99 -50.28 71.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.344 -0.848 . . . . 0.41 109.132 179.967 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.63 -49.53 72.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.372 -0.83 . . . . 1.56 108.909 179.677 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.81 -32.47 70.67 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 1.43 109.727 179.76 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.61 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.66 110.122 -179.452 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.45 ' OE1' ' NE2' ' B' ' 354' ' ' GLN . 27.1 mt-30 -82.63 -9.17 59.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 1.18 109.815 -179.648 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -7.4 50.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 1.23 109.52 179.86 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -5.93 83.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.882 -1.287 . . . . 1.54 109.882 -179.834 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 357' ' ' LYS . 3.8 mptp? -86.19 102.18 13.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.048 -1.266 . . . . 4.18 109.355 -179.688 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -51.73 154.14 3.71 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 5.71 108.644 179.72 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.07 101.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.06 1.173 . . . . 5.61 109.764 179.512 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 117.997 -1.446 . . . . 7.24 109.541 -179.998 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' B' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.464 -0.569 . . . . 7.34 109.464 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.8 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.492 -0.755 . . . . 7.17 109.81 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' B' ' 319' ' ' LYS . 51.5 tttp 60.88 65.69 1.95 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.47 -0.769 . . . . 6.44 109.951 -179.806 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.31 168.07 13.44 Favored 'Trans proline' 0 C--N 1.318 -1.044 0 C-N-CA 121.322 1.348 . . . . 4.54 109.345 179.754 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.39 94.83 6.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 4.32 109.386 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -84.72 -157.99 0.32 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.468 -0.77 . . . . 2.47 109.443 179.875 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.44 159.44 53.08 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.386 -1.486 . . . . 0.95 109.386 179.741 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.59 137.12 57.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -1.121 . . . . 1.61 109.563 -179.967 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.9 155.99 17.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.305 -0.872 . . . . 0.57 109.375 179.865 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.66 -173.56 3.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.321 -0.862 . . . . 0.53 109.63 -179.738 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.01 148.38 29.67 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.373 -0.973 . . . . 0.38 108.373 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.1 133.39 28.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.291 -0.881 . . . . 0.36 109.76 -178.628 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.02 132.02 34.39 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.443 -0.947 . . . . 1.36 108.443 179.012 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 78.5 mt -123.23 109.19 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.493 -0.754 . . . . 0.49 109.407 -179.482 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.45 122.35 22.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.497 -0.752 . . . . 2.1 109.304 179.642 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.6 132.5 4.94 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.752 -1.339 . . . . 0.44 109.752 179.795 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -44.29 15.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.396 -1.061 . . . . 2.72 109.369 179.769 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.14 -46.15 89.11 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.354 -0.841 . . . . 2.21 109.499 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.464 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 17.8 ttm-85 -66.13 -38.06 87.24 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.115 -0.991 . . . . 2.79 109.632 -179.764 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -53.18 -54.09 40.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.391 -0.818 . . . . 0.45 109.365 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.73 -38.05 63.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.68 109.814 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.15 -49.82 72.84 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.261 -0.9 . . . . 0.43 110.332 -179.207 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.22 -43.73 95.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.063 -1.023 . . . . 0.28 109.136 -179.798 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.15 -43.54 61.25 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.312 -0.868 . . . . 2.52 109.6 179.89 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.77 -45.45 94.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 1.75 109.746 -179.809 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.25 -45.83 92.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 0.31 109.395 -179.925 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.38 -48.3 82.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.218 -0.926 . . . . 1.21 109.61 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.19 -38.7 92.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 1.69 109.827 -179.677 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -56.12 26.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.27 109.97 -179.543 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.19 -40.73 95.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.911 . . . . 0.3 109.502 -179.755 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.73 -36.3 80.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.196 -0.94 . . . . 1.93 109.316 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.99 -50.39 70.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.4 109.027 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.57 -49.55 72.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.422 -0.798 . . . . 1.59 108.939 179.701 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.86 -32.45 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.59 -0.694 . . . . 1.43 109.691 179.816 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.59 82.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.65 110.094 -179.443 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.45 ' NE2' ' OE1' ' A' ' 354' ' ' GLN . 91.4 mt-30 -82.58 -9.32 59.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.198 -0.938 . . . . 1.19 109.815 -179.666 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.84 -7.36 50.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 1.22 109.474 179.885 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -5.94 83.93 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.87 -1.292 . . . . 1.53 109.87 -179.871 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' B' ' 357' ' ' LYS . 3.8 mptp? -86.15 102.17 13.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.116 -1.226 . . . . 4.21 109.473 -179.806 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -51.69 154.17 3.63 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 5.68 108.63 179.757 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.13 101.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 121.021 1.147 . . . . 5.57 109.75 179.544 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.529 -1.428 . . . . 7.2 109.529 -179.994 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' C' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.443 -0.577 . . . . 8.96 109.443 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.8 -75.82 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.424 -0.797 . . . . 8.15 109.823 179.887 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' C' ' 319' ' ' LYS . 51.7 tttp 60.85 65.74 1.94 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.811 . . . . 7.15 109.913 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.33 168.09 13.44 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 C-N-CA 121.421 1.414 . . . . 4.35 109.301 179.74 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 22.5 mt -80.45 94.85 6.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.014 -1.054 . . . . 4.63 109.323 179.855 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.403 ' OD2' ' OH ' ' C' ' 327' ' ' TYR . 11.7 m-20 -84.71 -158.08 0.33 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.548 -0.72 . . . . 2.85 109.447 179.856 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.41 159.38 53.08 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.405 -1.478 . . . . 1.12 109.405 179.709 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.6 137.23 57.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -1.131 . . . . 2.11 109.531 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.403 ' OH ' ' OD2' ' C' ' 324' ' ' ASP . 77.2 m-85 -92.95 155.97 17.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -0.927 . . . . 0.64 109.423 179.82 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.76 -173.67 3.62 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.387 -0.821 . . . . 0.49 109.542 -179.696 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -148.94 148.39 29.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.39 -0.967 . . . . 0.47 108.39 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.11 133.3 27.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.42 109.79 -178.55 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -84.96 131.97 34.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.438 -0.949 . . . . 1.81 108.438 179.074 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 78.6 mt -123.25 109.29 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.53 -0.731 . . . . 0.42 109.379 -179.499 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.26 22.77 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.514 -0.741 . . . . 2.35 109.32 179.67 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.57 132.57 4.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.719 -1.352 . . . . 0.41 109.719 179.81 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.568 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -44.35 15.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -1.084 . . . . 2.59 109.31 179.772 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.01 -46.19 88.82 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.361 -0.837 . . . . 2.54 109.583 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' NH1' ' C' ' 337' ' ' ARG . 17.9 ttm-85 -66.07 -38.12 87.51 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.127 -0.983 . . . . 3.39 109.692 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.14 -54.09 40.89 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.385 -0.822 . . . . 0.47 109.408 -179.873 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -53.76 -37.97 63.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 1.66 109.834 -179.928 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.18 -49.87 72.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.269 -0.894 . . . . 0.61 110.333 -179.273 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.2 -43.75 95.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.33 109.177 -179.82 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.14 -43.51 61.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.205 -0.934 . . . . 3.28 109.574 179.884 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.8 -45.44 94.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 1.78 109.732 -179.785 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.4 -45.71 93.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.38 109.365 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -59.49 -48.22 82.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.2 109.582 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.17 -38.83 92.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 2.12 109.87 -179.751 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.4 -56.14 26.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.26 109.992 -179.603 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.24 -40.72 95.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.262 -0.899 . . . . 0.4 109.444 -179.724 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.74 -36.27 80.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 2.09 109.34 179.518 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.91 -50.35 71.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.343 -0.848 . . . . 0.75 109.181 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.6 -49.52 73.01 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.437 -0.789 . . . . 2.19 108.951 179.726 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.79 -32.52 70.7 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.584 -0.698 . . . . 1.34 109.686 179.808 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.63 82.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 0.72 110.082 -179.432 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -82.62 -9.26 59.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.173 -0.955 . . . . 1.8 109.755 -179.571 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.85 -7.36 50.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 1.39 109.516 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 -5.97 84.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.824 -1.31 . . . . 1.66 109.824 -179.877 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' C' ' 357' ' ' LYS . 3.8 mptp? -86.16 102.14 13.63 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.098 -1.236 . . . . 4.45 109.422 -179.735 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -51.62 154.07 3.6 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.894 . . . . 6.19 108.654 179.649 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -54.99 101.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.823 0 C-N-CA 121.048 1.165 . . . . 5.58 109.778 179.451 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.967 -1.463 . . . . 6.9 109.551 -179.979 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' D' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.465 -0.568 . . . . 7.36 109.465 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.82 -75.86 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.48 -0.763 . . . . 7.15 109.777 179.882 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' D' ' 319' ' ' LYS . 51.5 tttp 60.82 65.67 1.97 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.417 -0.802 . . . . 6.5 109.99 -179.777 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.28 168.05 13.42 Favored 'Trans proline' 0 C--N 1.32 -0.956 0 C-N-CA 121.369 1.379 . . . . 4.5 109.321 179.728 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.34 94.73 6.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.988 -1.07 . . . . 4.32 109.405 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -84.6 -158.07 0.32 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.457 -0.777 . . . . 2.46 109.497 179.831 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.41 159.49 53.05 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.324 -1.51 . . . . 0.97 109.324 179.748 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.63 137.12 57.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -1.155 . . . . 1.67 109.536 -179.982 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.9 156.11 17.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.297 -0.877 . . . . 0.61 109.418 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.81 -173.58 3.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.56 109.64 -179.711 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.03 148.32 29.58 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.391 -0.966 . . . . 0.43 108.391 179.947 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.0 tp -141.07 133.4 28.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.35 109.749 -178.549 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.04 131.96 34.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.417 -0.957 . . . . 1.37 108.417 179.081 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 78.3 mt -123.23 109.2 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.424 -0.798 . . . . 0.48 109.362 -179.431 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.53 122.28 22.85 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.475 -0.766 . . . . 2.08 109.355 179.611 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.64 132.56 4.94 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 109.716 -1.353 . . . . 0.4 109.716 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.576 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.28 -44.32 15.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -1.08 . . . . 2.64 109.296 179.829 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.03 -46.14 88.97 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.289 -0.882 . . . . 2.22 109.602 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.457 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 17.8 ttm-85 -66.12 -38.12 87.38 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.095 -1.003 . . . . 2.74 109.638 -179.804 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.18 -54.08 41.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.346 -0.846 . . . . 0.43 109.443 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.68 -37.98 63.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.69 109.852 -179.991 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.27 -49.77 72.75 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.308 -0.87 . . . . 0.43 110.305 -179.158 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.23 -43.72 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.11 -0.994 . . . . 0.27 109.119 -179.819 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.24 -43.39 61.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.212 -0.93 . . . . 2.45 109.565 179.94 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.82 -45.5 94.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.75 109.698 -179.833 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.26 -45.87 92.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.202 -0.936 . . . . 0.31 109.35 -179.896 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.38 -48.37 81.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.858 . . . . 1.22 109.584 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.13 -38.67 92.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.73 109.877 -179.716 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.6 -56.08 26.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.28 109.987 -179.589 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.3 -40.67 95.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.31 109.461 -179.709 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.74 -36.28 80.55 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.154 -0.966 . . . . 1.91 109.264 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.96 -50.39 70.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.43 109.12 179.908 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.55 -49.54 73.03 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.428 -0.795 . . . . 1.57 108.974 179.653 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.82 -32.51 70.72 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.621 -0.674 . . . . 1.44 109.671 179.799 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.66 82.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.325 -0.859 . . . . 0.64 110.086 -179.436 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.59 -9.2 59.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.128 -0.982 . . . . 1.21 109.808 -179.634 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -7.4 50.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.128 -0.982 . . . . 1.22 109.497 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -5.86 84.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.857 -1.297 . . . . 1.5 109.857 -179.848 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' D' ' 357' ' ' LYS . 3.8 mptp? -86.23 102.24 13.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.126 -1.22 . . . . 4.18 109.382 -179.719 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.74 154.08 3.77 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.594 -0.891 . . . . 5.67 108.594 179.72 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.02 101.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.039 1.16 . . . . 5.65 109.752 179.482 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.512 -1.435 . . . . 7.27 109.512 -179.98 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.479 -0.563 . . . . 7.33 109.479 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 319' ' ' LYS . 95.7 mttt 57.99 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.545 0.688 . . . . 7.21 110.051 -179.893 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.88 73.13 1.01 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.132 -0.98 . . . . 6.47 109.529 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -60.96 -72.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.415 1.41 . . . . 4.53 109.737 -179.911 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.3 mt -77.27 107.6 9.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 4.35 108.888 179.819 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.36 -130.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.485 -0.759 . . . . 2.48 109.795 -179.525 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.91 170.82 36.12 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.692 -1.363 . . . . 0.98 109.692 -179.667 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.13 132.5 54.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -1.123 . . . . 1.7 109.593 -179.859 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -94.27 157.52 16.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.271 -0.893 . . . . 0.61 109.65 179.872 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.5 -168.67 2.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.477 -0.765 . . . . 0.58 109.289 -179.813 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.61 148.94 28.57 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.638 -0.875 . . . . 0.42 108.638 179.928 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -142.8 135.06 27.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.254 -0.904 . . . . 0.36 109.739 -178.722 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.94 130.1 34.69 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.433 -0.951 . . . . 1.37 108.433 179.157 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.35 110.73 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.48 -0.763 . . . . 0.47 109.246 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.66 145.65 43.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.596 -0.69 . . . . 2.1 110.06 -179.662 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.09 127.0 2.92 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.135 -1.186 . . . . 0.42 110.135 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.69 -40.96 69.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.322 -1.105 . . . . 2.68 109.211 179.468 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -58.35 -47.44 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 2.22 109.473 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.55 -40.56 97.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.245 -0.909 . . . . 2.77 109.499 179.931 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.32 -54.57 41.9 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.516 -0.74 . . . . 0.43 109.911 -179.765 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.61 -42.15 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 1.66 109.921 -179.623 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.35 -50.09 71.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.21 -0.931 . . . . 0.44 110.419 -179.305 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.1 -45.01 96.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.29 109.084 -179.73 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 346' ' ' GLU . 13.5 ttm180 -51.95 -43.23 63.4 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.333 -0.854 . . . . 2.44 109.743 179.835 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -61.31 -44.32 97.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.28 -0.888 . . . . 1.74 110.135 -179.395 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.75 -40.81 93.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.166 -0.959 . . . . 0.3 109.396 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.97 -53.98 52.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.22 109.661 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 2.0 mp0 -62.77 -38.1 89.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.912 . . . . 1.72 109.612 -179.725 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.88 53.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.169 -0.957 . . . . 0.27 109.831 -179.672 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.08 -45.4 93.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.889 . . . . 0.29 109.406 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.35 -34.27 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 1.91 109.303 179.789 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.86 -45.04 91.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.309 -0.87 . . . . 0.41 109.273 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -63.76 -48.38 77.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 1.56 108.832 179.306 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.8 -31.68 64.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.694 -0.628 . . . . 1.43 109.488 179.762 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.41 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 0.66 109.662 -179.837 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -81.0 -2.89 49.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 1.18 109.571 -179.885 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -7.83 46.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 1.23 109.268 -179.985 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -6.98 82.67 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.287 -1.525 . . . . 1.54 109.287 179.668 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.23 156.34 21.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -1.114 . . . . 4.18 109.563 -179.906 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -51.14 153.84 3.07 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 5.71 109.036 -179.802 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.05 141.28 87.04 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.145 1.23 . . . . 5.61 109.908 179.356 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.457 -1.457 . . . . 7.24 109.457 179.887 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.488 -0.56 . . . . 7.34 109.488 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 319' ' ' LYS . 95.7 mttt 58.09 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.491 0.662 . . . . 7.17 110.06 -179.921 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.8 73.19 1.0 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 6.44 109.583 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -61.07 -72.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.32 -0.973 0 C-N-CA 121.394 1.396 . . . . 4.54 109.691 -179.84 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.3 mt -77.25 107.66 9.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.248 -0.908 . . . . 4.32 108.889 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.41 -130.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 2.47 109.759 -179.534 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.56 170.86 34.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.752 -1.339 . . . . 0.95 109.752 -179.753 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.23 132.56 54.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -1.115 . . . . 1.61 109.619 -179.977 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.29 157.59 15.97 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.255 -0.903 . . . . 0.57 109.595 179.909 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.58 -168.73 2.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.46 -0.775 . . . . 0.53 109.246 -179.809 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.59 149.1 28.78 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.932 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.91 134.98 27.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.295 -0.878 . . . . 0.36 109.703 -178.646 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.89 130.06 34.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.493 -0.929 . . . . 1.36 108.493 179.123 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.32 110.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.403 -0.811 . . . . 0.49 109.325 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.52 145.61 43.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 2.1 110.086 -179.656 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 127.0 2.9 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.21 -1.156 . . . . 0.44 110.21 179.597 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.78 -40.93 68.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -1.087 . . . . 2.72 109.187 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.28 -47.4 83.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.278 -0.889 . . . . 2.21 109.537 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.58 -40.61 97.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.272 -0.892 . . . . 2.79 109.492 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.27 -54.68 40.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 0.45 109.86 -179.705 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.49 -42.11 63.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 1.68 109.917 -179.57 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.46 -50.17 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.334 -0.854 . . . . 0.43 110.314 -179.237 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.02 -44.97 96.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.01 -1.056 . . . . 0.28 109.139 -179.727 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' B' ' 346' ' ' GLU . 13.5 ttm180 -51.99 -43.2 63.49 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.31 -0.869 . . . . 2.52 109.756 179.88 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.26 -44.37 97.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.208 -0.933 . . . . 1.75 110.204 -179.497 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.66 -40.85 93.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.31 109.344 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.98 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 1.21 109.629 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.17 89.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.69 109.639 -179.703 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.92 52.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.27 109.834 -179.693 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.96 -45.61 92.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.3 109.353 -179.861 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.28 -34.29 72.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.93 109.263 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.88 -45.18 90.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.4 109.24 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.6 -48.38 77.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.59 108.814 179.357 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.75 -31.74 64.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.653 -0.655 . . . . 1.43 109.521 179.788 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.38 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.892 . . . . 0.65 109.613 -179.845 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -81.0 -2.92 49.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.357 -0.839 . . . . 1.19 109.567 -179.862 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -7.88 47.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 1.22 109.366 179.955 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -7.05 82.86 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.289 -1.525 . . . . 1.53 109.289 179.649 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.23 156.34 21.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -1.133 . . . . 4.21 109.579 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.11 153.74 3.08 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 5.68 109.088 -179.817 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.02 141.29 86.78 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.096 1.197 . . . . 5.57 109.961 179.365 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.992 -1.449 . . . . 7.2 109.491 179.918 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.539 -0.541 . . . . 8.96 109.539 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 319' ' ' LYS . 95.7 mttt 58.04 133.02 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.524 0.678 . . . . 8.15 110.061 -179.947 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.88 73.11 1.02 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.975 . . . . 7.15 109.584 179.897 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -60.89 -72.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.547 1.498 . . . . 4.35 109.716 -179.907 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -77.33 107.55 9.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 4.63 108.915 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -80.2 -130.43 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.447 -0.783 . . . . 2.85 109.85 -179.572 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.72 170.92 35.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.683 -1.367 . . . . 1.12 109.683 -179.734 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.26 132.57 54.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 2.11 109.575 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -94.26 157.48 16.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.225 -0.922 . . . . 0.64 109.628 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.52 -168.69 2.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.397 -0.815 . . . . 0.49 109.325 -179.89 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.63 148.9 28.51 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.595 -0.891 . . . . 0.47 108.595 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.77 134.98 27.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.42 109.737 -178.648 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -84.86 130.01 34.72 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.509 -0.922 . . . . 1.81 108.509 179.112 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.39 110.83 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.459 -0.775 . . . . 0.42 109.213 -179.668 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.73 145.67 42.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.68 -0.638 . . . . 2.35 109.99 -179.633 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.06 127.11 2.94 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.106 -1.198 . . . . 0.41 110.106 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -71.86 -40.92 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.43 -1.041 . . . . 2.59 109.158 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.31 -47.45 83.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.85 . . . . 2.54 109.439 -179.987 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.57 -40.64 97.52 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.27 -0.894 . . . . 3.39 109.415 -179.978 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.29 -54.57 41.82 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.483 -0.761 . . . . 0.47 109.916 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.57 -42.15 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 1.66 109.922 -179.634 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -50.11 71.21 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.286 -0.884 . . . . 0.61 110.385 -179.295 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.1 -45.04 96.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.138 -0.976 . . . . 0.33 109.037 -179.703 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.412 ' O ' ' OE1' ' C' ' 346' ' ' GLU . 13.5 ttm180 -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.313 -0.867 . . . . 3.28 109.755 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.2 -44.34 97.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.136 -0.977 . . . . 1.78 110.185 -179.505 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.38 109.36 -179.769 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -59.17 -53.89 53.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 1.2 109.597 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.14 89.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 2.12 109.661 -179.784 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.79 54.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.26 109.801 -179.616 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.04 -45.65 92.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 0.4 109.335 -179.881 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -34.34 72.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 2.09 109.306 179.849 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.78 -45.18 90.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 0.75 109.303 179.946 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.64 -48.37 77.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.259 -0.901 . . . . 2.19 108.856 179.339 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.73 -31.82 64.91 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.671 -0.643 . . . . 1.34 109.516 179.754 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.5 79.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.72 109.666 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -80.94 -2.88 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 1.8 109.642 -179.923 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.81 46.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.199 -0.938 . . . . 1.39 109.245 -179.979 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -6.87 82.58 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.266 -1.534 . . . . 1.66 109.266 179.723 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.35 156.34 20.93 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.337 -1.096 . . . . 4.45 109.524 -179.829 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.13 153.74 3.1 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.257 -0.902 . . . . 6.19 109.074 -179.83 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.01 141.26 86.77 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 121.088 1.192 . . . . 5.58 109.934 179.346 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 118.012 -1.438 . . . . 6.9 109.518 179.913 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.574 -0.528 . . . . 7.36 109.574 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 319' ' ' LYS . 95.8 mttt 58.02 133.06 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.508 0.67 . . . . 7.15 110.07 -179.938 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 51.86 73.01 1.03 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 6.5 109.651 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -60.92 -72.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 121.482 1.455 . . . . 4.5 109.648 -179.782 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.29 107.69 9.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.259 -0.901 . . . . 4.32 108.935 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -80.37 -130.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.488 -0.758 . . . . 2.46 109.816 -179.498 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 170.88 35.93 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.97 109.667 -179.722 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.13 132.54 54.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -1.153 . . . . 1.67 109.631 -179.896 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.27 157.43 16.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.259 -0.9 . . . . 0.61 109.61 179.878 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.48 -168.72 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.456 -0.777 . . . . 0.56 109.318 -179.867 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.62 149.0 28.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.283 -0.885 . . . . 0.43 108.62 179.93 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -142.81 134.94 27.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.35 109.735 -178.62 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.85 130.03 34.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.596 -0.89 . . . . 1.37 108.596 179.084 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.37 110.69 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.5 -0.75 . . . . 0.48 109.25 -179.555 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.62 145.6 43.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.649 -0.657 . . . . 2.08 109.99 -179.607 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.15 127.08 2.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.083 -1.207 . . . . 0.4 110.083 179.519 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.83 -40.95 68.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.369 -1.077 . . . . 2.64 109.162 179.477 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.34 -47.41 83.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 2.22 109.492 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -62.61 -40.59 97.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.24 -0.913 . . . . 2.74 109.41 -179.996 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.31 -54.54 42.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.53 -0.731 . . . . 0.43 109.94 -179.711 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.53 -42.1 64.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 1.69 109.944 -179.702 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.5 -50.07 71.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.214 -0.929 . . . . 0.43 110.342 -179.218 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.08 -45.02 96.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.006 . . . . 0.27 109.048 -179.687 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' D' ' 346' ' ' GLU . 13.5 ttm180 -52.0 -43.29 63.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.196 -0.94 . . . . 2.45 109.714 179.931 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.06 -44.42 97.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.18 -0.95 . . . . 1.75 110.259 -179.515 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.8 -40.71 93.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.065 -1.022 . . . . 0.31 109.374 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -59.05 -53.93 52.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.22 109.661 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 2.0 mp0 -62.75 -38.12 89.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.73 109.614 -179.726 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.7 55.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.28 109.855 -179.628 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.06 -45.44 93.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.239 -0.913 . . . . 0.31 109.392 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.4 -34.25 72.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.91 109.286 179.855 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.91 -45.08 90.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.43 109.243 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.74 -48.37 77.28 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.318 -0.864 . . . . 1.57 108.758 179.401 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.72 -31.8 64.87 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.727 -0.608 . . . . 1.44 109.463 179.757 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -44.43 79.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 0.64 109.653 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -80.98 -2.87 49.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 1.21 109.632 -179.927 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -7.87 47.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.161 -0.962 . . . . 1.22 109.261 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.54 -6.96 82.8 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.232 -1.547 . . . . 1.5 109.232 179.701 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.27 156.38 20.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 4.18 109.544 -179.842 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -51.09 153.81 3.01 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.89 . . . . 5.67 109.042 -179.838 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -56.21 141.25 88.22 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 121.145 1.23 . . . . 5.65 109.912 179.397 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.5 -1.44 . . . . 7.27 109.5 179.972 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.331 -0.618 . . . . 7.33 109.331 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 56.56 17.34 2.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 7.21 109.748 179.939 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 323' ' ' LEU . 72.7 mttt 53.81 80.25 0.3 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.127 -0.983 . . . . 6.47 109.391 179.813 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.36 28.49 0.11 Allowed 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 121.595 1.53 . . . . 4.53 110.787 -179.397 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.3 mt -79.02 127.85 32.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.134 . . . . 4.35 108.865 179.531 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.2 98.59 7.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.101 -0.999 . . . . 2.48 110.36 -179.269 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -73.71 163.13 54.67 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.042 -1.623 . . . . 0.98 109.042 179.022 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.93 122.76 16.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.958 -1.319 . . . . 1.7 109.521 179.632 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 79.2 m-85 -98.9 152.5 19.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 0.61 110.153 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -141.49 137.3 31.99 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.722 -0.844 . . . . 0.58 108.722 178.92 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -93.72 163.76 13.41 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.42 109.119 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.24 130.78 14.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 0.36 110.038 -179.209 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.51 34.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.651 -0.87 . . . . 1.37 108.651 179.377 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.28 115.63 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.538 -0.726 . . . . 0.47 109.706 -179.377 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.26 156.95 33.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.447 -0.783 . . . . 2.1 109.777 179.675 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.8 138.9 2.29 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.348 -1.101 . . . . 0.42 110.348 179.331 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.42 -48.93 9.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -1.065 . . . . 2.68 109.395 179.69 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.08 -39.88 79.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -0.92 . . . . 2.22 109.101 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.94 -43.05 99.21 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.416 -0.802 . . . . 2.77 109.386 179.829 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.52 -56.0 25.31 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.544 -0.723 . . . . 0.43 109.863 -179.808 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.25 -38.61 41.63 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.224 -0.923 . . . . 1.66 109.917 -179.565 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.3 -53.98 40.41 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.126 -0.984 . . . . 0.44 110.476 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.56 -43.26 99.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.017 -1.052 . . . . 0.29 109.187 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.67 -44.5 63.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.196 -0.94 . . . . 2.44 109.208 179.454 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.9 -43.95 97.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.74 109.865 -179.874 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.78 -40.84 94.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 0.3 109.242 -179.96 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.41 -54.77 43.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.925 . . . . 1.22 109.443 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.64 -33.72 75.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.892 . . . . 1.72 109.509 -179.8 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.78 -56.33 23.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.327 -0.858 . . . . 0.27 109.847 -179.613 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.5 -45.21 95.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.29 109.485 -179.865 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.82 -34.19 72.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 1.91 109.462 179.965 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.31 -50.08 69.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.41 109.336 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.37 -47.17 83.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 1.56 109.051 179.867 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.8 -31.68 66.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.552 -0.718 . . . . 1.43 109.474 179.679 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.88 78.59 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.66 109.654 -179.831 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.09 -37.69 25.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.18 109.239 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.66 -5.05 30.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 1.23 109.226 179.738 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.49 1.95 86.48 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.509 -1.436 . . . . 1.54 109.509 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.28 110.3 18.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.18 -1.188 . . . . 4.18 109.395 -179.887 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 1.6 mt-10 -50.89 -53.38 48.24 Favored Pre-proline 0 N--CA 1.487 1.406 0 O-C-N 121.183 -0.948 . . . . 5.71 110.295 179.995 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.1 Cg_endo -60.63 142.76 98.72 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 N-CA-C 109.685 -0.929 . . . . 5.61 109.685 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 117.935 -1.481 . . . . 7.24 109.546 179.914 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.315 -0.624 . . . . 7.34 109.315 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 45.9 mttm 56.51 17.38 2.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.868 . . . . 7.17 109.753 179.919 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' B' ' 323' ' ' LEU . 72.8 mttt 53.83 80.21 0.31 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.013 . . . . 6.44 109.364 179.787 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.28 28.49 0.1 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 121.618 1.545 . . . . 4.54 110.834 -179.448 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.2 mt -79.0 127.81 32.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.878 -1.139 . . . . 4.32 108.935 179.515 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.18 99.37 7.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.169 -0.957 . . . . 2.47 110.266 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -75.01 163.11 54.12 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.936 -1.666 . . . . 0.95 108.936 179.212 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.67 122.61 15.75 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.966 -1.314 . . . . 1.61 109.6 179.957 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 79.0 m-85 -98.86 152.48 19.7 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.185 -0.947 . . . . 0.57 110.074 -179.934 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -141.57 137.31 31.87 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.694 -0.854 . . . . 0.53 108.694 178.929 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -93.74 163.95 13.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.335 -0.853 . . . . 0.38 109.066 -179.912 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.38 130.74 14.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.36 110.087 -179.228 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.15 128.43 34.66 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.642 -0.873 . . . . 1.36 108.642 179.381 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.25 115.64 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.541 -0.724 . . . . 0.49 109.706 -179.44 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.24 156.95 33.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.429 -0.795 . . . . 2.1 109.812 179.633 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.81 138.79 2.27 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.349 -1.1 . . . . 0.44 110.349 179.359 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.31 -48.93 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -1.09 . . . . 2.72 109.386 179.713 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.21 -39.68 79.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 2.21 109.095 179.879 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.02 99.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.407 -0.808 . . . . 2.79 109.391 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.46 -56.18 23.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.568 -0.708 . . . . 0.45 109.805 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.69 40.06 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 1.68 109.964 -179.542 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.32 -53.91 41.47 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.162 -0.961 . . . . 0.43 110.552 -179.266 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.65 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.058 -1.026 . . . . 0.28 109.183 -179.575 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.222 -0.924 . . . . 2.52 109.152 179.456 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.05 -43.85 98.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 1.75 109.851 -179.825 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.75 94.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.31 109.262 -179.959 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.43 -54.7 44.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 1.21 109.513 179.792 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.69 -33.75 75.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.69 109.48 -179.897 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.26 24.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.27 109.951 -179.652 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.49 -45.31 94.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.3 109.462 -179.879 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.75 -34.24 72.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 1.93 109.494 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.21 -50.03 69.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.277 -0.89 . . . . 0.4 109.398 -179.883 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.43 -47.13 83.19 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 1.59 109.009 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.83 -31.76 66.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.51 -0.744 . . . . 1.43 109.454 179.693 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.91 78.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.65 109.612 -179.779 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.0 -37.64 26.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.937 . . . . 1.19 109.378 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -5.01 30.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.345 -0.847 . . . . 1.22 109.292 179.634 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.93 86.64 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.484 -1.446 . . . . 1.53 109.484 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.26 110.31 18.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.214 -1.168 . . . . 4.21 109.394 -179.888 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.456 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 1.6 mt-10 -50.95 -53.38 48.56 Favored Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.258 -0.901 . . . . 5.68 110.209 -179.942 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.1 Cg_endo -60.58 142.68 98.55 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 120.684 0.923 . . . . 5.57 109.719 179.946 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.967 -1.463 . . . . 7.2 109.549 179.971 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.311 -0.625 . . . . 8.96 109.311 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 56.4 17.42 2.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.36 -0.838 . . . . 8.15 109.815 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' C' ' 323' ' ' LEU . 72.7 mttt 53.87 80.26 0.3 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.118 -0.989 . . . . 7.15 109.346 179.71 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.3 28.39 0.1 Allowed 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.601 1.534 . . . . 4.35 110.798 -179.396 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.2 mt -79.03 127.94 32.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.935 -1.103 . . . . 4.63 108.824 179.607 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.25 98.98 7.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.123 -0.986 . . . . 2.85 110.235 -179.256 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.544 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -74.34 163.13 54.41 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.999 -1.641 . . . . 1.12 108.999 179.063 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.81 122.73 16.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.32 . . . . 2.11 109.576 179.8 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 79.3 m-85 -98.92 152.51 19.69 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.64 110.081 -179.936 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.56 137.3 31.86 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.721 -0.844 . . . . 0.49 108.721 178.891 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -93.7 163.87 13.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.318 -0.864 . . . . 0.47 109.105 -179.971 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.29 130.69 14.73 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.115 -0.991 . . . . 0.42 110.113 -179.197 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.12 128.48 34.67 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.597 -0.89 . . . . 1.81 108.597 179.395 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.31 115.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.463 -0.773 . . . . 0.42 109.752 -179.459 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.28 156.95 33.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.449 -0.782 . . . . 2.35 109.77 179.762 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.76 138.93 2.28 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.337 -1.105 . . . . 0.41 110.337 179.344 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -83.47 -48.84 9.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.345 -1.091 . . . . 2.59 109.395 179.702 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.15 -39.86 79.9 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.213 -0.929 . . . . 2.54 109.134 179.776 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.89 -43.15 98.87 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 3.39 109.329 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.51 -56.05 24.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.728 . . . . 0.47 109.83 -179.758 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.72 40.11 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.349 -0.845 . . . . 1.66 110.006 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.29 -53.89 41.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.22 -0.925 . . . . 0.61 110.486 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.61 -43.21 99.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.055 -1.028 . . . . 0.33 109.211 -179.595 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -51.83 -44.41 63.55 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.224 -0.922 . . . . 3.28 109.127 179.539 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.88 -43.92 97.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.78 109.924 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.81 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.38 109.195 -179.907 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.37 -54.77 43.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.194 -0.941 . . . . 1.2 109.47 179.854 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.489 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.76 -33.68 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.12 109.435 -179.774 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -56.3 23.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.26 109.973 -179.678 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.5 -45.32 94.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 0.4 109.426 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.74 -34.18 72.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.239 -0.913 . . . . 2.09 109.447 -179.984 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.24 -50.12 69.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.343 -0.848 . . . . 0.75 109.391 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.31 -47.19 83.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 2.19 109.056 179.816 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.82 -31.77 66.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.56 -0.712 . . . . 1.34 109.41 179.743 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -34.84 78.62 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 0.72 109.68 -179.823 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.14 -37.59 25.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 1.8 109.323 -179.964 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.72 -4.98 30.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 1.39 109.246 179.659 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.51 1.99 86.43 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.552 -1.419 . . . . 1.66 109.552 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.31 110.34 19.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.28 -1.13 . . . . 4.45 109.366 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 1.6 mt-10 -50.97 -53.34 49.04 Favored Pre-proline 0 N--CA 1.488 1.447 0 O-C-N 121.235 -0.915 . . . . 6.19 110.178 -179.911 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.1 Cg_endo -60.7 142.78 98.74 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 N-CA-C 109.644 -0.945 . . . . 5.58 109.644 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 CA-C-O 118.024 -1.431 . . . . 6.9 109.542 179.898 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.326 -0.62 . . . . 7.36 109.326 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 45.9 mttm 56.45 17.37 2.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.427 -0.796 . . . . 7.15 109.778 179.94 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' D' ' 323' ' ' LEU . 72.7 mttt 53.82 80.26 0.3 Allowed Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.968 . . . . 6.5 109.376 179.791 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -66.24 28.37 0.1 Allowed 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 121.686 1.59 . . . . 4.5 110.843 -179.429 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.3 mt -78.95 127.79 32.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.887 -1.133 . . . . 4.32 108.863 179.609 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.26 98.98 7.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 2.46 110.294 -179.271 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -74.2 163.14 54.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.053 -1.619 . . . . 0.97 109.053 179.037 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -61.82 122.69 16.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.886 -1.361 . . . . 1.67 109.571 179.761 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 78.7 m-85 -98.89 152.44 19.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.231 -0.918 . . . . 0.61 110.131 -179.975 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -141.51 137.36 32.02 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.713 -0.847 . . . . 0.56 108.713 178.901 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -93.72 163.97 13.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 0.43 109.109 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.35 130.76 14.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.35 110.015 -179.217 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.48 34.68 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.673 -0.862 . . . . 1.37 108.673 179.319 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.29 115.59 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.551 -0.718 . . . . 0.48 109.711 -179.408 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.26 156.95 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.419 -0.801 . . . . 2.08 109.797 179.689 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.86 138.74 2.28 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.301 -1.12 . . . . 0.4 110.301 179.293 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.25 -48.86 10.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.373 -1.075 . . . . 2.64 109.453 179.734 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.25 -39.7 79.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 2.22 109.092 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.0 99.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.419 -0.801 . . . . 2.74 109.395 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.5 -56.13 23.82 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.563 -0.71 . . . . 0.43 109.854 -179.863 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.1 -38.68 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 1.69 109.961 -179.614 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.37 -53.9 41.37 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.193 -0.942 . . . . 0.43 110.475 -179.177 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -43.24 99.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.049 -1.032 . . . . 0.27 109.185 -179.596 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.74 -44.41 63.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.243 -0.911 . . . . 2.45 109.186 179.511 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.93 -43.88 98.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.75 109.869 -179.869 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.84 -40.82 94.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.933 . . . . 0.31 109.175 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.36 -54.77 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -0.92 . . . . 1.22 109.476 179.839 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.79 -33.73 75.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.343 -0.848 . . . . 1.73 109.429 -179.74 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -56.19 25.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.28 109.944 -179.632 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.53 -45.16 95.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.31 109.516 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.92 -34.18 72.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.191 -0.943 . . . . 1.91 109.426 -179.987 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.17 -50.15 69.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.43 109.376 -179.94 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.36 -47.2 83.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.863 . . . . 1.57 108.973 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.73 -31.84 66.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 1.44 109.483 179.727 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.88 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 0.64 109.665 -179.807 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -82.04 -37.67 26.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.92 . . . . 1.21 109.353 179.953 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -5.04 30.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.894 . . . . 1.22 109.256 179.655 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.95 86.6 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.554 -1.418 . . . . 1.5 109.554 179.988 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.23 110.31 18.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -1.186 . . . . 4.18 109.425 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 1.6 mt-10 -50.85 -53.42 47.63 Favored Pre-proline 0 C--N 1.304 -1.379 0 O-C-N 121.176 -0.952 . . . . 5.67 110.284 -179.995 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.1 Cg_endo -60.63 142.82 98.88 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 N-CA-C 109.662 -0.938 . . . . 5.65 109.662 179.975 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 117.95 -1.472 . . . . 7.27 109.494 179.9 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.457 -0.571 . . . . 7.33 109.457 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 322' ' ' PRO . 10.0 mptt 52.06 10.99 0.13 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.351 -0.843 . . . . 7.21 110.139 179.652 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 320' ' ' LYS . 35.5 mtmt 18.62 -81.15 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.591 0 CA-C-O 118.028 -0.987 . . . . 6.47 112.19 -179.356 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 320' ' ' LYS . 1.4 Cg_endo -57.18 105.86 0.2 Allowed 'Trans proline' 0 N--CA 1.479 0.626 0 CA-C-N 120.731 1.297 . . . . 4.53 109.64 178.74 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.99 93.5 6.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.997 . . . . 4.35 109.132 179.705 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -87.61 -12.33 45.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.479 -0.763 . . . . 2.48 109.985 -179.681 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.42 124.01 12.57 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 119.702 -1.237 . . . . 0.98 110.215 -179.471 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.61 133.72 52.85 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.735 -0.862 . . . . 1.7 109.195 179.291 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -96.79 148.99 22.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.131 -0.981 . . . . 0.61 109.838 -179.934 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.53 140.75 35.28 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.373 -0.829 . . . . 0.58 108.921 179.466 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -98.19 165.08 12.05 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.303 -0.873 . . . . 0.42 109.332 -179.949 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -150.41 133.01 15.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.275 -0.891 . . . . 0.36 109.952 -179.463 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.73 126.57 34.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.382 -0.824 . . . . 1.37 108.872 179.353 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.93 114.59 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.462 -0.774 . . . . 0.47 109.871 -179.632 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.11 154.31 35.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 2.1 109.657 179.625 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.53 4.16 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.169 -1.172 . . . . 0.42 110.169 179.418 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -84.23 -51.08 7.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -1.076 . . . . 2.68 109.379 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.25 -40.92 78.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 2.22 109.125 179.84 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.17 -45.69 90.64 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.683 -0.858 . . . . 2.77 108.683 179.487 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.72 -52.65 64.15 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.647 -0.658 . . . . 0.43 109.259 179.434 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.57 -40.15 62.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 1.66 109.866 -179.73 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 24.3 ttp -62.71 -50.33 71.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.321 -0.862 . . . . 0.44 110.229 -179.577 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.08 -44.96 96.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.19 -0.944 . . . . 0.29 109.148 -179.74 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.58 60.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 2.44 109.261 179.764 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -61.33 -52.76 63.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.74 109.868 -179.646 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.22 -35.75 76.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.096 -1.003 . . . . 0.3 108.675 179.788 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.74 -57.6 12.3 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.46 -0.775 . . . . 1.22 109.387 179.522 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 1.72 109.573 179.962 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.46 -51.62 69.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.337 -0.852 . . . . 0.27 110.138 -179.447 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.77 -46.51 89.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.29 109.428 -179.741 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 1.91 109.146 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -65.38 -51.86 57.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 0.41 109.085 179.902 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.27 -37.99 85.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.276 -0.89 . . . . 1.56 108.946 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -55.73 -36.83 67.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.67 -0.644 . . . . 1.43 109.294 179.784 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.15 73.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.446 -0.784 . . . . 0.66 109.556 179.905 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -81.2 -2.62 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 1.18 109.656 -179.843 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.31 -85.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.23 109.374 -179.961 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.16 103.56 1.6 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.757 -1.337 . . . . 1.54 109.757 -179.928 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -85.33 134.84 34.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -1.127 . . . . 4.18 108.959 179.758 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.05 138.89 24.57 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 5.71 109.331 -179.379 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.47 140.06 89.52 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 C-N-CA 120.783 0.988 . . . . 5.61 109.603 179.407 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 117.929 -1.484 . . . . 7.24 109.423 179.896 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.5 -0.556 . . . . 7.34 109.5 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' B' ' 321' ' ' LYS . 10.0 mptt 52.15 10.88 0.13 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.362 -0.836 . . . . 7.17 110.125 179.61 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' B' ' 320' ' ' LYS . 35.5 mtmt 18.63 -81.13 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.62 0 CA-C-O 117.998 -1.001 . . . . 6.44 112.226 -179.318 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.493 ' N ' ' O ' ' B' ' 320' ' ' LYS . 1.4 Cg_endo -57.25 105.9 0.21 Allowed 'Trans proline' 0 C--O 1.215 -0.659 0 CA-C-N 120.734 1.298 . . . . 4.54 109.605 178.771 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 93.63 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.951 . . . . 4.32 109.111 179.701 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -87.63 -12.05 46.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.43 -0.794 . . . . 2.47 110.023 -179.747 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.8 124.12 11.71 Favored Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.706 -1.235 . . . . 0.95 110.143 -179.402 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.67 133.76 52.85 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.741 -0.858 . . . . 1.61 109.209 179.331 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.85 148.86 22.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.202 -0.936 . . . . 0.57 109.893 -179.916 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.49 140.68 35.36 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.455 -0.778 . . . . 0.53 108.921 179.526 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.12 164.95 12.12 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.342 -0.848 . . . . 0.38 109.322 -179.896 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.29 133.04 15.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.94 . . . . 0.36 110.0 -179.544 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.77 126.55 34.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 1.36 108.932 179.337 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.96 114.56 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.418 -0.801 . . . . 0.49 109.868 -179.572 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.455 -0.778 . . . . 2.1 109.727 179.606 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.46 4.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.127 -1.189 . . . . 0.44 110.127 179.412 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -84.15 -51.04 7.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -1.082 . . . . 2.72 109.408 179.671 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.1 78.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 2.21 109.074 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.06 -45.71 90.92 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.711 -0.848 . . . . 2.79 108.711 179.508 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.66 -52.67 64.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.277 -0.638 . . . . 0.45 109.277 179.428 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.16 62.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 1.68 109.842 -179.71 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.3 ttp -62.73 -50.32 71.57 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.43 110.234 -179.563 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.19 -44.83 96.67 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.247 -0.908 . . . . 0.28 109.165 -179.751 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.65 60.27 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.167 -0.958 . . . . 2.52 109.234 179.703 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.29 -52.71 63.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 1.75 109.901 -179.612 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.27 -35.7 76.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.31 108.741 179.726 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.77 -57.64 12.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.471 -0.768 . . . . 1.21 109.382 179.476 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.57 -31.42 72.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.27 -0.894 . . . . 1.69 109.629 179.97 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.56 -51.47 69.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.27 110.147 -179.475 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.79 -46.43 89.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.076 -1.015 . . . . 0.3 109.481 -179.808 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -58.54 -34.0 70.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 1.93 109.045 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -65.34 -51.87 57.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.363 -0.835 . . . . 0.4 109.147 179.828 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.2 -38.18 85.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.84 . . . . 1.59 108.892 179.739 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.56 -36.91 67.34 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.574 -0.704 . . . . 1.43 109.273 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.06 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.38 -0.825 . . . . 0.65 109.545 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.21 -2.64 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 1.19 109.572 -179.827 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.25 -85.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 1.22 109.422 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.02 103.43 1.57 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.804 -1.318 . . . . 1.53 109.804 179.996 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.19 134.8 34.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -1.123 . . . . 4.21 109.045 179.66 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.07 138.83 24.85 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 5.68 109.383 -179.386 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.42 140.05 89.61 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.833 1.022 . . . . 5.57 109.648 179.436 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.44 -1.464 . . . . 7.2 109.44 179.919 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' C' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.245 0.545 . . . . 8.96 109.551 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' C' ' 322' ' ' PRO . 10.0 mptt 52.04 10.99 0.13 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 8.15 110.149 179.638 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' C' ' 320' ' ' LYS . 35.5 mtmt 18.6 -81.09 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.621 0 CA-C-O 117.948 -1.025 . . . . 7.15 112.175 -179.359 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' C' ' 320' ' ' LYS . 1.3 Cg_endo -57.28 105.96 0.21 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.748 1.303 . . . . 4.35 109.572 178.812 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 21.0 mt -82.03 93.55 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.935 . . . . 4.63 109.123 179.676 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.63 -12.11 46.52 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.478 -0.764 . . . . 2.85 110.056 -179.753 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.61 124.15 12.24 Favored Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.698 -1.239 . . . . 1.12 110.17 -179.466 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.73 133.74 52.71 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.728 -0.866 . . . . 2.11 109.173 179.357 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.79 149.03 22.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 0.64 109.774 -179.898 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -140.62 140.7 35.11 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -0.76 . . . . 0.49 108.963 179.423 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.15 165.08 12.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.402 -0.811 . . . . 0.47 109.242 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -150.43 132.95 15.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.977 . . . . 0.42 110.003 -179.512 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.68 126.55 34.03 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.895 -0.78 . . . . 1.81 108.895 179.356 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.6 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.617 -0.677 . . . . 0.42 109.861 -179.69 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.33 -0.856 . . . . 2.35 109.662 179.582 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.56 4.14 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.079 -1.208 . . . . 0.41 110.079 179.366 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.31 -51.03 7.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.24 -1.153 . . . . 2.59 109.364 179.725 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.04 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.336 -0.853 . . . . 2.54 109.114 179.839 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.02 -45.78 90.68 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.736 -0.839 . . . . 3.39 108.736 179.437 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -56.58 -52.73 63.69 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.614 -0.679 . . . . 0.47 109.245 179.435 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.18 62.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.436 -0.79 . . . . 1.66 109.815 -179.633 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.2 ttp -62.69 -50.26 71.87 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.339 -0.851 . . . . 0.61 110.269 -179.574 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.21 -44.88 96.57 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.188 -0.945 . . . . 0.33 109.165 -179.736 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.15 -41.63 60.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.156 -0.965 . . . . 3.28 109.206 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -61.19 -52.87 62.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 1.78 109.855 -179.638 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.17 -35.75 76.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.38 108.703 179.794 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.86 -57.57 12.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.546 -0.721 . . . . 1.2 109.319 179.581 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.58 -31.44 72.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 2.12 109.593 -179.972 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -51.54 69.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.351 -0.843 . . . . 0.26 110.106 -179.474 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.82 -46.45 89.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.046 -1.034 . . . . 0.4 109.432 -179.712 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.37 -34.06 70.28 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.24 -0.913 . . . . 2.09 109.163 179.821 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -65.36 -51.78 58.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.345 -0.847 . . . . 0.75 109.144 179.885 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -61.23 -38.13 85.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 2.19 109.006 179.612 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.72 -36.74 67.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.615 -0.678 . . . . 1.34 109.363 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.06 74.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.339 -0.85 . . . . 0.72 109.632 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -81.22 -2.68 49.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.321 -0.862 . . . . 1.8 109.574 -179.843 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.28 -85.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.186 -0.946 . . . . 1.39 109.42 179.999 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.14 103.5 1.59 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.792 -1.323 . . . . 1.66 109.792 -179.94 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.23 134.85 34.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.298 -1.119 . . . . 4.45 109.02 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -50.97 138.87 23.91 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.136 -0.978 . . . . 6.19 109.33 -179.403 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.58 140.12 89.53 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 N-CA-C 109.632 -0.949 . . . . 5.58 109.632 179.386 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.945 -1.475 . . . . 6.9 109.483 179.878 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.43 ' C ' ' H ' ' D' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.446 -0.575 . . . . 7.36 109.446 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' D' ' 321' ' ' LYS . 10.0 mptt 52.12 10.9 0.13 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.293 -0.879 . . . . 7.15 110.103 179.608 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' D' ' 320' ' ' LYS . 35.5 mtmt 18.65 -81.18 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.614 0 CA-C-O 117.975 -1.012 . . . . 6.5 112.234 -179.346 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' D' ' 320' ' ' LYS . 1.4 Cg_endo -57.19 105.88 0.2 Allowed 'Trans proline' 0 C--O 1.215 -0.646 0 CA-C-N 120.78 1.314 . . . . 4.5 109.577 178.757 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.98 93.58 6.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -0.956 . . . . 4.32 109.119 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -87.63 -12.2 46.26 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.397 -0.814 . . . . 2.46 110.066 -179.738 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.47 124.02 12.46 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.743 -1.218 . . . . 0.97 110.171 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.73 133.74 52.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.643 -0.916 . . . . 1.67 109.119 179.341 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.74 149.02 22.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.179 -0.951 . . . . 0.61 109.872 -179.947 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.56 140.72 35.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.31 -0.869 . . . . 0.56 108.932 179.475 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -98.17 165.07 12.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.43 109.29 -179.939 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.35 133.05 15.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.35 109.957 -179.505 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.9 126.66 34.25 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.84 -0.8 . . . . 1.37 108.84 179.349 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.56 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.603 -0.686 . . . . 0.48 109.895 -179.593 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.08 154.23 35.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 2.08 109.758 179.62 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.78 138.55 4.2 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.131 -1.188 . . . . 0.4 110.131 179.451 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.24 -51.11 7.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -1.08 . . . . 2.64 109.384 179.628 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.21 -41.05 78.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.889 . . . . 2.22 109.085 179.914 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.05 -45.77 90.67 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.66 -0.867 . . . . 2.74 108.66 179.47 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.63 -52.71 63.84 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.646 -0.659 . . . . 0.43 109.246 179.498 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.55 -40.23 62.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -0.772 . . . . 1.69 109.752 -179.644 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 24.2 ttp -62.68 -50.33 71.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.35 -0.843 . . . . 0.43 110.278 -179.525 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.14 -44.86 96.67 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.187 -0.946 . . . . 0.27 109.179 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -51.2 -41.54 60.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.15 -0.969 . . . . 2.45 109.282 179.737 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.31 -52.78 63.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 1.75 109.843 -179.66 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.27 -35.67 76.06 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.205 -0.934 . . . . 0.31 108.658 179.826 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.8 -57.65 12.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.432 -0.792 . . . . 1.22 109.337 179.531 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.57 -31.46 72.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 1.73 109.601 -179.999 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.48 -51.55 69.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 0.28 110.188 -179.503 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.75 -46.65 88.72 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.127 -0.983 . . . . 0.31 109.414 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.3 -34.08 70.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.938 . . . . 1.91 109.112 179.863 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -65.41 -51.71 58.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.36 -0.837 . . . . 0.43 109.189 179.887 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.22 -38.15 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 1.57 108.943 179.636 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.66 -36.75 67.42 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.616 -0.677 . . . . 1.44 109.325 179.807 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.16 73.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.64 109.47 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -81.18 -2.62 49.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 1.21 109.608 -179.828 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.23 -85.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 1.22 109.418 -179.991 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.18 103.55 1.6 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.752 -1.339 . . . . 1.5 109.752 -179.98 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.27 134.84 34.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.236 -1.155 . . . . 4.18 109.002 179.648 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.05 138.83 24.65 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.133 -0.979 . . . . 5.67 109.374 -179.376 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -60.43 140.0 89.36 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 120.827 1.018 . . . . 5.65 109.626 179.378 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.413 -1.475 . . . . 7.27 109.413 179.947 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.268 -0.641 . . . . 7.33 109.268 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 55.94 -144.06 0.69 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.885 . . . . 7.21 109.749 -179.995 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 323' ' ' LEU . 46.6 tttm 56.86 66.92 2.88 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.342 -0.849 . . . . 6.47 109.999 -179.917 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.21 4.53 0.93 Allowed 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.506 1.47 . . . . 4.53 109.788 179.868 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.9 mm? -80.94 24.15 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.364 -0.835 . . . . 4.35 109.421 -179.843 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -77.99 -133.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.375 -0.828 . . . . 2.48 109.838 -179.591 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.47 146.9 46.34 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.011 -1.236 . . . . 0.98 110.011 -179.43 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.56 142.35 55.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.479 -1.013 . . . . 1.7 109.379 179.84 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.51 148.62 22.63 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.61 110.23 -179.751 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.5 137.15 35.26 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.64 -0.874 . . . . 0.58 108.64 179.083 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.6 166.15 12.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.42 109.313 -179.692 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.1 tp -149.79 129.28 13.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.36 109.693 -179.581 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.7 125.59 32.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.374 -0.828 . . . . 1.37 108.943 179.73 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -124.43 115.84 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.582 -0.699 . . . . 0.47 109.701 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -76.42 158.26 31.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 2.1 109.766 179.408 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.03 1.75 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.293 -1.123 . . . . 0.42 110.293 179.364 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 335' ' ' ARG . 0.0 OUTLIER -83.14 -47.29 11.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.358 -1.084 . . . . 2.68 108.995 179.639 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.14 -43.5 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 2.22 109.369 179.854 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' C' ' 352' ' ' ASP . 42.7 ttm180 -62.43 -42.95 99.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.398 -0.814 . . . . 2.77 109.196 179.726 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -55.39 -50.0 70.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.525 -0.735 . . . . 0.43 109.498 179.687 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.44 -39.61 61.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -0.889 . . . . 1.66 110.086 -179.632 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.05 -49.12 77.26 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.267 -0.896 . . . . 0.44 110.251 -179.282 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.64 -44.56 96.26 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.175 -0.953 . . . . 0.29 109.25 -179.713 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.89 -42.75 59.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.913 . . . . 2.44 109.458 179.632 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.03 -51.42 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 1.74 109.709 -179.882 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.8 -37.44 81.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 0.3 108.952 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.52 -54.69 44.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.323 -0.86 . . . . 1.22 109.213 179.514 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -63.18 -32.92 74.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 1.72 109.687 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -55.05 40.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 0.27 110.093 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 0.29 109.556 -179.712 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -59.24 -35.77 74.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.91 109.654 -179.91 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.24 -49.82 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 0.41 109.408 -179.841 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.74 -46.7 86.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 1.56 109.101 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.439 ' CG ' HH22 ' C' ' 337' ' ' ARG . 2.6 m-20 -57.7 -30.9 65.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.514 -0.741 . . . . 1.43 109.433 179.613 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.92 -45.68 73.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.66 110.17 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.26 -7.83 59.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.158 -0.964 . . . . 1.18 109.8 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.82 -8.94 57.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.112 -0.993 . . . . 1.23 109.311 179.749 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -11.57 73.91 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.742 -1.343 . . . . 1.54 109.742 -179.945 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.13 -0.84 57.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.268 . . . . 4.18 109.383 179.971 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.73 111.45 1.88 Allowed Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 5.71 109.344 -179.901 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.98 138.45 78.78 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 C-N-CA 120.645 0.897 . . . . 5.61 110.089 -179.73 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.534 -1.426 . . . . 7.24 109.534 179.725 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.344 -0.613 . . . . 7.34 109.344 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 55.87 -143.93 0.7 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.255 -0.903 . . . . 7.17 109.762 -179.963 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' B' ' 323' ' ' LEU . 46.6 tttm 56.67 66.98 2.9 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.356 -0.84 . . . . 6.44 110.015 -179.846 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.16 4.58 0.9 Allowed 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.507 1.472 . . . . 4.54 109.896 179.783 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 323' ' ' LEU . 3.8 mm? -81.03 24.19 0.52 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.921 . . . . 4.32 109.348 -179.779 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -78.0 -133.32 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -0.824 . . . . 2.47 109.818 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.27 146.88 46.64 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.11 -1.196 . . . . 0.95 110.11 -179.535 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.5 142.37 55.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.488 -1.007 . . . . 1.61 109.374 179.806 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -96.53 148.58 22.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.25 -0.906 . . . . 0.57 110.234 -179.766 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.44 137.15 35.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.61 -0.885 . . . . 0.53 108.61 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.57 166.4 12.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.329 -0.857 . . . . 0.38 109.342 -179.728 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -150.04 129.15 12.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.36 109.665 -179.593 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.62 125.54 32.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.844 . . . . 1.36 109.031 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -124.37 115.75 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.557 -0.714 . . . . 0.49 109.744 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -76.43 158.28 31.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.852 . . . . 2.1 109.788 179.447 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.29 135.13 1.73 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.268 -1.133 . . . . 0.44 110.268 179.442 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.35 11.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -1.023 . . . . 2.72 109.024 179.631 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.19 -43.39 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 2.21 109.411 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.503 HH22 ' CG ' ' D' ' 352' ' ' ASP . 42.7 ttm180 -62.47 -42.99 99.87 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.249 -0.907 . . . . 2.79 109.183 179.699 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.33 -50.05 70.61 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.542 -0.724 . . . . 0.45 109.477 179.667 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.47 -39.55 61.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 1.68 110.02 -179.617 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.09 -49.13 77.15 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.257 -0.902 . . . . 0.43 110.234 -179.24 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.68 -44.54 96.37 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.28 109.265 -179.706 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.84 -42.84 58.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.923 . . . . 2.52 109.442 179.601 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.29 69.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.939 . . . . 1.75 109.688 -179.821 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.87 -37.43 82.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.31 108.948 179.867 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.57 -54.61 45.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 1.21 109.264 179.498 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.23 -32.9 74.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -0.86 . . . . 1.69 109.647 179.866 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -55.05 40.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 0.27 110.142 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.09 -43.87 98.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 0.3 109.598 -179.765 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.18 -35.8 74.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 1.93 109.613 -179.844 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.24 -49.82 70.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 0.4 109.4 -179.872 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.78 -46.61 87.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.375 -0.828 . . . . 1.59 109.06 -179.938 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.471 ' CG ' HH22 ' D' ' 337' ' ' ARG . 2.6 m-20 -57.83 -30.83 66.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.523 -0.736 . . . . 1.43 109.437 179.635 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.59 73.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 0.65 110.16 -179.655 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.36 -7.84 59.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.19 109.766 -179.584 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.87 57.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 1.22 109.318 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -11.58 73.89 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.749 -1.34 . . . . 1.53 109.749 -179.961 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.15 -0.85 57.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -1.186 . . . . 4.21 109.358 -179.983 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.74 111.5 1.91 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.857 . . . . 5.68 109.344 -179.889 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.0 138.44 78.61 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 C-N-CA 120.669 0.913 . . . . 5.57 110.148 -179.737 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.975 -1.458 . . . . 7.2 109.533 179.809 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.268 -0.642 . . . . 8.96 109.268 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 55.89 -144.03 0.69 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.315 -0.866 . . . . 8.15 109.772 -179.941 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' C' ' 323' ' ' LEU . 46.4 tttm 56.79 66.98 2.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.343 -0.848 . . . . 7.15 110.034 -179.87 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.24 4.6 0.91 Allowed 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 121.554 1.503 . . . . 4.35 109.822 179.84 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.506 HD22 ' N ' ' C' ' 323' ' ' LEU . 3.9 mm? -81.1 24.21 0.53 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 4.63 109.361 -179.783 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.98 -133.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 2.85 109.853 -179.654 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 146.86 46.37 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.972 -1.251 . . . . 1.12 109.972 -179.419 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.46 142.3 55.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.464 -1.021 . . . . 2.11 109.366 179.836 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.49 148.6 22.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.216 -0.928 . . . . 0.64 110.25 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.54 137.02 35.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.672 -0.862 . . . . 0.49 108.672 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.5 166.15 12.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.311 -0.868 . . . . 0.47 109.409 -179.697 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.92 129.28 12.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 0.42 109.582 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.64 125.56 32.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.81 108.968 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -124.45 115.8 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.629 -0.67 . . . . 0.42 109.683 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -76.41 158.18 31.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.35 109.834 179.371 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 135.1 1.82 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.21 -1.156 . . . . 0.41 110.21 179.37 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -83.09 -47.39 11.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -1.093 . . . . 2.59 109.014 179.557 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.12 -43.44 91.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 2.54 109.44 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.439 HH22 ' CG ' ' A' ' 352' ' ' ASP . 42.7 ttm180 -62.48 -42.96 99.85 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.351 -0.843 . . . . 3.39 109.172 179.728 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.36 -50.03 70.72 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.509 -0.744 . . . . 0.47 109.472 179.657 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.42 -39.56 61.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 1.66 110.058 -179.598 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.06 -49.1 77.31 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.184 -0.948 . . . . 0.61 110.304 -179.216 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.74 -44.56 96.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.235 -0.916 . . . . 0.33 109.194 -179.691 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.77 -42.8 58.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 3.28 109.502 179.598 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.33 69.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 1.78 109.76 -179.893 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -60.77 -37.62 82.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 0.38 108.915 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.39 -54.74 43.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.375 -0.828 . . . . 1.2 109.242 179.536 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.2 -32.8 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.389 -0.82 . . . . 2.12 109.685 179.904 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.71 -54.88 42.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.26 110.08 -179.421 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.18 -0.95 . . . . 0.4 109.526 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.13 -35.79 74.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 2.09 109.653 -179.914 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.28 -49.68 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.172 -0.955 . . . . 0.75 109.512 -179.873 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.86 -46.6 87.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.348 -0.845 . . . . 2.19 109.061 179.955 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' A' ' 337' ' ' ARG . 2.6 m-20 -57.76 -30.85 65.94 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.471 -0.768 . . . . 1.34 109.379 179.602 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.67 73.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 0.72 110.09 -179.591 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.31 -7.84 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.166 -0.959 . . . . 1.8 109.814 -179.496 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.71 -9.06 58.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 1.39 109.333 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -11.59 74.21 Favored Glycine 0 N--CA 1.493 2.433 0 N-CA-C 109.78 -1.328 . . . . 1.66 109.78 -179.943 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.12 -0.88 57.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -1.234 . . . . 4.45 109.328 -179.968 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.67 111.4 1.85 Allowed Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.324 -0.86 . . . . 6.19 109.376 -179.926 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.99 138.5 79.11 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 C-N-CA 120.704 0.936 . . . . 5.58 110.091 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 118.04 -1.422 . . . . 6.9 109.55 179.771 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.299 -0.63 . . . . 7.36 109.299 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 55.92 -144.0 0.69 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.326 -0.859 . . . . 7.15 109.74 179.954 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' D' ' 323' ' ' LEU . 46.5 tttm 56.7 66.97 2.9 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.371 -0.83 . . . . 6.5 110.066 -179.854 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.15 4.49 0.93 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.529 1.486 . . . . 4.5 109.892 179.838 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.51 HD22 ' N ' ' D' ' 323' ' ' LEU . 3.8 mm? -81.01 24.21 0.52 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -0.882 . . . . 4.32 109.408 -179.798 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.94 -133.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 2.46 109.849 -179.631 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 146.9 46.38 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.055 -1.218 . . . . 0.97 110.055 -179.485 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.46 142.18 55.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.477 -1.014 . . . . 1.67 109.417 179.818 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.39 148.59 22.63 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.284 -0.885 . . . . 0.61 110.232 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.6 137.0 34.97 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.678 -0.86 . . . . 0.56 108.678 179.088 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.32 166.26 12.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.291 -0.881 . . . . 0.43 109.425 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.95 129.18 12.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 0.35 109.705 -179.627 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.65 125.64 32.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.419 -0.8 . . . . 1.37 108.981 179.723 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.4 115.86 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.521 -0.737 . . . . 0.48 109.733 -179.548 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 158.22 31.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.32 -0.862 . . . . 2.08 109.796 179.375 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.11 1.77 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.258 -1.137 . . . . 0.4 110.258 179.373 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' D' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.39 11.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.427 -1.043 . . . . 2.64 108.993 179.621 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.13 -43.35 91.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 2.22 109.407 179.871 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.471 HH22 ' CG ' ' B' ' 352' ' ' ASP . 42.7 ttm180 -62.54 -42.91 99.84 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.284 -0.885 . . . . 2.74 109.153 179.757 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.37 -50.02 70.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.524 -0.735 . . . . 0.43 109.497 179.694 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.41 -39.66 61.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.69 110.051 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.07 -49.11 77.28 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.157 -0.964 . . . . 0.43 110.233 -179.209 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.208 -0.932 . . . . 0.27 109.181 -179.65 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.76 -42.83 58.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 2.45 109.475 179.624 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.98 -51.4 69.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 1.75 109.712 -179.842 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.74 -37.55 82.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.113 -0.992 . . . . 0.31 108.972 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.48 -54.65 44.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.396 -0.815 . . . . 1.22 109.222 179.546 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.21 -32.96 74.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.73 109.71 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.53 -55.01 40.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.28 110.103 -179.481 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.14 -43.68 98.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.31 109.579 -179.748 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.32 -35.77 74.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -0.936 . . . . 1.91 109.563 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.9 tp -64.22 -49.85 70.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.138 -0.976 . . . . 0.43 109.427 -179.87 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.73 -46.71 86.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.57 109.05 179.995 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.503 ' CG ' HH22 ' B' ' 337' ' ' ARG . 2.6 m-20 -57.73 -30.82 65.86 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.471 -0.768 . . . . 1.44 109.445 179.667 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.62 73.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 0.64 110.129 -179.594 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.32 -7.96 59.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 1.21 109.705 -179.522 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.69 -8.94 57.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.187 -0.946 . . . . 1.22 109.356 179.767 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.73 -11.58 73.82 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.72 -1.352 . . . . 1.5 109.72 -179.929 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.1 -0.85 57.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -1.198 . . . . 4.18 109.425 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -48.67 111.36 1.83 Allowed Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.414 -0.804 . . . . 5.67 109.423 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.91 138.49 79.25 Favored 'Trans proline' 0 C--O 1.216 -0.622 0 C-N-CA 120.684 0.923 . . . . 5.65 110.143 -179.729 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 118.0 -1.445 . . . . 7.27 109.502 179.754 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.48 -0.563 . . . . 7.33 109.48 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 321' ' ' LYS . 57.9 mttp 52.85 177.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.856 . . . . 7.21 109.631 179.956 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 320' ' ' LYS . 34.4 tttp 62.28 129.68 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.668 -0.645 . . . . 6.47 109.365 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.51 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.64 0 C-N-CA 120.676 0.917 . . . . 4.53 109.975 179.81 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.7 108.74 14.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.868 . . . . 4.35 109.418 179.957 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.09 -101.56 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 2.48 109.75 -179.971 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.06 150.1 49.9 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.85 -1.3 . . . . 0.98 109.85 -179.615 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.79 133.85 56.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -1.019 . . . . 1.7 109.612 179.914 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 30.5 m-85 -95.13 151.12 19.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.269 -0.895 . . . . 0.61 109.471 179.802 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -141.32 138.57 33.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.2 -0.937 . . . . 0.58 109.325 179.621 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.3 165.79 11.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.45 -0.781 . . . . 0.42 109.069 179.817 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.3 tp -149.54 133.55 17.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.081 -1.012 . . . . 0.36 109.885 -179.601 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.47 126.85 33.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 1.37 108.734 179.558 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.7 mt -124.17 110.03 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 CA-C-O 121.575 0.702 . . . . 0.47 109.755 -179.565 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.73 148.97 38.15 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.608 -0.683 . . . . 2.1 109.412 179.44 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.39 132.52 5.52 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.214 -1.154 . . . . 0.42 110.214 179.544 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.12 -43.09 16.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -1.092 . . . . 2.68 109.172 179.587 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.51 -46.86 87.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.348 -0.845 . . . . 2.22 109.637 -179.919 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.473 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 16.6 ttm-85 -63.32 -40.42 97.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.265 -0.897 . . . . 2.77 109.803 -179.614 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.6 -54.19 24.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.43 109.449 179.973 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -52.73 -37.07 58.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.192 -0.942 . . . . 1.66 109.802 179.928 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.5 -51.78 64.08 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.3 -0.875 . . . . 0.44 110.419 -179.453 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.04 -43.95 94.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.09 -1.007 . . . . 0.29 109.115 -179.86 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.82 -43.31 58.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.234 -0.916 . . . . 2.44 109.348 179.703 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.16 -51.11 71.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 1.74 109.765 -179.729 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.28 -39.06 85.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.125 -0.984 . . . . 0.3 108.694 179.685 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.19 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.526 -0.734 . . . . 1.22 109.67 179.725 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.39 -34.87 78.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 1.72 110.096 -179.62 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.2 38.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.182 -0.949 . . . . 0.27 110.159 -179.485 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.94 -38.94 87.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.296 -0.877 . . . . 0.29 109.623 -179.613 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.95 -39.68 86.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.098 -1.001 . . . . 1.91 108.743 179.226 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.35 -47.34 79.68 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.608 -0.886 . . . . 0.41 108.608 179.528 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.49 -45.66 91.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 122.03 0.919 . . . . 1.56 108.91 179.423 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.02 -31.13 60.83 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.224 0.535 . . . . 1.43 109.726 -179.786 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.51 85.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.66 109.497 -179.964 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -81.42 -3.02 51.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.18 109.715 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.88 -82.44 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 1.23 109.554 -179.872 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.51 84.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.605 -1.398 . . . . 1.54 109.605 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.449 ' NZ ' ' CB ' ' A' ' 357' ' ' LYS . 0.3 OUTLIER -85.93 121.81 29.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -1.146 . . . . 4.18 109.642 -179.927 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.47 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 3.4 mt-10 -52.78 -52.26 66.22 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.252 -0.905 . . . . 5.71 110.413 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 5.7 Cg_exo -59.03 156.86 31.8 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 120.747 0.965 . . . . 5.61 109.888 -179.576 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 109.517 -1.433 . . . . 7.24 109.517 -179.982 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.308 0.575 . . . . 7.34 109.451 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 321' ' ' LYS . 58.0 mttp 52.84 177.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 7.17 109.672 179.938 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 320' ' ' LYS . 34.5 tttp 62.27 129.73 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.628 -0.67 . . . . 6.44 109.333 -179.992 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.48 -172.2 0.05 OUTLIER 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 120.666 0.91 . . . . 4.54 109.98 179.792 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.67 108.69 14.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.3 -0.875 . . . . 4.32 109.471 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.03 -101.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.314 -0.866 . . . . 2.47 109.823 -179.966 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.03 150.06 49.9 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.997 -1.241 . . . . 0.95 109.997 -179.785 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.75 133.91 56.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -1.064 . . . . 1.61 109.61 179.936 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.3 m-85 -95.17 151.06 19.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.266 -0.896 . . . . 0.57 109.416 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.32 138.56 33.21 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.53 109.32 179.517 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.22 165.83 11.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 0.38 109.105 179.791 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.56 133.61 17.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.068 -1.02 . . . . 0.36 109.882 -179.701 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.48 126.94 33.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 1.36 108.767 179.495 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -124.21 110.09 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 CA-C-O 121.639 0.733 . . . . 0.49 109.733 -179.521 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.77 148.92 38.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 2.1 109.377 179.434 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.153 -1.179 . . . . 0.44 110.153 179.462 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.14 -43.1 16.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -1.099 . . . . 2.72 109.129 179.585 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.52 -46.94 87.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.265 -0.897 . . . . 2.21 109.598 -179.88 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.48 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 16.7 ttm-85 -63.29 -40.43 97.35 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.254 -0.904 . . . . 2.79 109.798 -179.516 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.55 -54.26 23.9 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.316 -0.865 . . . . 0.45 109.395 179.979 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.83 -36.95 59.43 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 1.68 109.727 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.52 -51.93 63.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.296 -0.878 . . . . 0.43 110.366 -179.472 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.86 -44.03 94.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.28 109.134 -179.835 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.79 -43.32 58.64 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.292 -0.88 . . . . 2.52 109.39 179.732 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.09 -51.19 70.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 1.75 109.731 -179.758 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' B' ' 344' ' ' LEU . 36.9 mt -60.28 -39.03 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.147 -0.97 . . . . 0.31 108.703 179.729 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -59.22 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.772 . . . . 1.21 109.684 179.751 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.31 -34.98 78.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.393 -0.817 . . . . 1.69 110.061 -179.653 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.35 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 0.27 110.175 -179.509 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -60.85 -39.04 87.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.3 109.599 -179.559 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -59.98 -39.58 86.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.043 -1.036 . . . . 1.93 108.763 179.214 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.509 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.36 -47.17 80.33 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.58 -0.896 . . . . 0.4 108.58 179.518 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.74 -45.79 91.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.321 -0.862 . . . . 1.59 108.833 179.46 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.97 -31.02 60.4 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 116.126 -0.488 . . . . 1.43 109.722 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.67 84.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.862 . . . . 0.65 109.451 -179.939 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -81.31 -3.02 51.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 1.19 109.717 -179.863 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.84 -82.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 1.22 109.582 -179.932 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.59 84.28 0.02 OUTLIER Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.637 -1.385 . . . . 1.53 109.637 -179.901 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.453 ' NZ ' ' CB ' ' B' ' 357' ' ' LYS . 0.3 OUTLIER -85.94 121.88 29.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -1.18 . . . . 4.21 109.538 -179.864 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 3.4 mt-10 -52.93 -52.24 66.93 Favored Pre-proline 0 N--CA 1.488 1.458 0 O-C-N 121.143 -0.973 . . . . 5.68 110.412 179.971 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 5.5 Cg_exo -58.88 156.77 31.51 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 120.779 0.986 . . . . 5.57 109.997 -179.702 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.969 -1.462 . . . . 7.2 109.465 179.989 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.519 -0.549 . . . . 8.96 109.519 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' C' ' 321' ' ' LYS . 57.9 mttp 52.89 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 8.15 109.62 -179.996 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' C' ' 320' ' ' LYS . 34.5 tttp 62.27 129.67 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.611 -0.68 . . . . 7.15 109.334 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.45 -172.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 120.66 0.907 . . . . 4.35 110.009 179.748 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.67 108.76 14.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 4.63 109.412 179.932 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.12 -101.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.31 -0.869 . . . . 2.85 109.749 -179.969 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.11 150.09 49.82 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.883 -1.287 . . . . 1.12 109.883 -179.65 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.81 133.83 56.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.385 -1.068 . . . . 2.11 109.571 179.916 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 31.3 m-85 -95.11 151.09 19.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.252 -0.905 . . . . 0.64 109.489 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -141.3 138.59 33.28 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.205 -0.934 . . . . 0.49 109.326 179.601 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.32 165.8 11.85 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.504 -0.747 . . . . 0.47 109.067 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.6 tp -149.55 133.58 17.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.42 109.864 -179.646 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.43 126.84 33.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 1.81 108.822 179.502 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.13 110.13 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.524 -0.735 . . . . 0.42 109.725 -179.515 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -75.89 148.95 37.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.622 -0.673 . . . . 2.35 109.424 179.427 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.43 132.64 5.57 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.172 -1.171 . . . . 0.41 110.172 179.595 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.22 -43.04 16.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.126 . . . . 2.59 109.179 179.529 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.318 -0.864 . . . . 2.54 109.614 -179.93 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' NH1' ' C' ' 337' ' ' ARG . 16.5 ttm-85 -63.3 -40.45 97.38 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.244 -0.91 . . . . 3.39 109.808 -179.608 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -50.55 -54.26 23.86 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.217 -0.927 . . . . 0.47 109.397 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -52.81 -36.98 59.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 1.66 109.726 -179.998 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.59 -51.77 63.86 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.286 -0.883 . . . . 0.61 110.357 -179.421 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.03 -43.87 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.072 -1.018 . . . . 0.33 109.181 -179.834 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.93 -43.23 60.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 3.28 109.351 179.695 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.13 -51.15 70.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.416 -0.803 . . . . 1.78 109.775 -179.771 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.31 -39.06 85.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 0.38 108.718 179.692 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.1 -55.39 35.71 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.535 -0.728 . . . . 1.2 109.68 179.67 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.28 -35.03 79.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.373 -0.83 . . . . 2.12 110.081 -179.614 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -55.27 37.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.26 110.19 -179.465 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.95 -38.98 87.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.306 -0.871 . . . . 0.4 109.557 -179.596 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.9 -39.69 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.029 -1.044 . . . . 2.09 108.716 179.211 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.514 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.42 -47.03 80.68 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.591 -0.892 . . . . 0.75 108.591 179.612 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.81 -45.76 91.33 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.849 0.833 . . . . 2.19 108.862 179.362 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.86 -31.08 59.24 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.241 0.543 . . . . 1.34 109.807 -179.885 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.55 84.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.302 -0.873 . . . . 0.72 109.451 -179.905 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -81.41 -2.96 51.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.342 -0.849 . . . . 1.8 109.713 -179.893 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.87 -82.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.18 -0.95 . . . . 1.39 109.585 -179.934 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.57 84.25 0.02 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.646 -1.381 . . . . 1.66 109.646 -179.905 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' C' ' 355' ' ' ALA . 0.3 OUTLIER -85.83 121.87 29.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.285 -1.127 . . . . 4.45 109.618 -179.914 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 3.4 mt-10 -52.92 -52.25 66.88 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.229 -0.919 . . . . 6.19 110.362 179.986 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 5.6 Cg_exo -59.02 156.83 31.93 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 120.674 0.916 . . . . 5.58 109.95 -179.597 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 117.887 -1.507 . . . . 6.9 109.521 -179.996 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.43 -0.582 . . . . 7.36 109.43 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' D' ' 321' ' ' LYS . 57.8 mttp 52.82 177.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 7.15 109.767 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' D' ' 320' ' ' LYS . 34.4 tttp 62.32 129.81 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.669 -0.644 . . . . 6.5 109.291 179.932 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.61 -172.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 120.679 0.919 . . . . 4.5 109.996 179.767 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.64 108.71 14.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 4.32 109.402 179.913 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.06 -101.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 2.46 109.739 -179.954 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.1 150.1 49.85 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.841 -1.304 . . . . 0.97 109.841 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.81 133.9 56.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.482 -1.01 . . . . 1.67 109.591 179.905 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 31.3 m-85 -95.22 151.08 19.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 0.61 109.366 179.877 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.34 138.57 33.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.158 -0.964 . . . . 0.56 109.367 179.522 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.24 165.83 11.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.494 -0.754 . . . . 0.43 109.105 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.54 133.57 17.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.015 -1.053 . . . . 0.35 109.889 -179.635 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.51 126.91 33.72 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.344 -0.847 . . . . 1.37 108.778 179.525 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -124.18 110.09 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.568 -0.707 . . . . 0.48 109.777 -179.535 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.83 148.97 37.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.601 -0.687 . . . . 2.08 109.405 179.477 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.181 -1.168 . . . . 0.4 110.181 179.561 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.19 -43.13 16.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -1.066 . . . . 2.64 109.147 179.58 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.45 -46.95 87.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.304 -0.873 . . . . 2.22 109.646 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.479 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 16.7 ttm-85 -63.34 -40.33 97.0 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 2.74 109.795 -179.542 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -50.57 -54.28 23.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.3 -0.875 . . . . 0.43 109.386 179.982 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -52.73 -37.03 58.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.69 109.781 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.56 -51.84 63.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.249 -0.907 . . . . 0.43 110.388 -179.4 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.87 -43.99 94.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.122 -0.986 . . . . 0.27 109.169 -179.922 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.9 -43.3 59.75 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.19 -0.944 . . . . 2.45 109.351 179.785 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.08 -51.17 70.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 1.75 109.754 -179.798 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.31 -39.09 85.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.146 -0.971 . . . . 0.31 108.652 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -59.13 -55.33 36.36 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.515 -0.74 . . . . 1.22 109.657 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -0.808 . . . . 1.73 110.06 -179.638 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -55.3 36.84 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.28 110.168 -179.466 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.88 -38.98 87.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 0.31 109.625 -179.582 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -60.05 -39.55 86.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.91 108.743 179.233 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.515 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.53 -47.23 79.59 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.558 -0.904 . . . . 0.43 108.558 179.535 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.62 -45.61 91.45 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.953 0.883 . . . . 1.57 108.789 179.498 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.09 -31.02 60.88 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.154 0.502 . . . . 1.44 109.695 -179.78 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 0.64 109.525 179.961 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -81.38 -3.05 51.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.324 -0.86 . . . . 1.21 109.74 -179.954 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.83 -82.38 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 1.22 109.601 -179.935 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.51 84.2 0.02 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.618 -1.393 . . . . 1.5 109.618 -179.898 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.455 ' NZ ' ' CB ' ' D' ' 357' ' ' LYS . 0.3 OUTLIER -85.94 121.95 29.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -1.151 . . . . 4.18 109.556 -179.865 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.462 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 3.4 mt-10 -52.96 -52.19 67.55 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 5.67 110.422 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 5.6 Cg_exo -58.95 156.79 31.77 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 120.759 0.973 . . . . 5.65 110.007 -179.676 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.935 -1.48 . . . . 7.27 109.436 179.994 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.506 -0.553 . . . . 7.33 109.506 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.46 -82.2 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 7.21 109.743 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 319' ' ' LYS . 21.6 mtpp 51.99 68.32 3.29 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 6.47 109.74 -179.781 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.3 Cg_endo -64.91 6.77 0.32 Allowed 'Trans proline' 0 C--N 1.317 -1.079 0 C-N-CA 121.521 1.48 . . . . 4.53 110.15 -179.833 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.5 mt -80.8 30.86 0.31 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 4.35 109.377 -179.935 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 322' ' ' PRO . 15.0 m-20 -78.0 -161.75 0.28 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.602 -0.686 . . . . 2.48 109.673 -179.744 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.88 149.65 49.58 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.773 -1.331 . . . . 0.98 109.773 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.53 142.55 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -1.068 . . . . 1.7 109.525 179.935 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 37.0 m-85 -95.15 148.7 22.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.187 -0.946 . . . . 0.61 109.72 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.82 137.72 33.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.319 -0.863 . . . . 0.58 109.091 179.355 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.64 162.94 13.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.387 -0.82 . . . . 0.42 108.905 179.832 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -149.13 132.08 16.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.089 -1.007 . . . . 0.36 109.922 -179.364 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -84.18 125.51 32.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 1.37 108.975 179.436 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.97 116.3 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.599 -0.688 . . . . 0.47 109.492 -179.663 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.51 34.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.932 . . . . 2.1 109.922 179.902 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.73 137.67 2.42 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.518 -1.033 . . . . 0.42 110.518 179.187 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -83.08 -46.38 12.87 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.372 -1.075 . . . . 2.68 109.196 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.88 -45.7 85.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 2.22 109.135 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.24 -43.92 98.09 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.334 -0.854 . . . . 2.77 109.109 179.69 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.25 -58.45 7.65 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.643 -0.661 . . . . 0.43 109.423 179.891 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.53 -35.48 40.81 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.277 -0.89 . . . . 1.66 109.653 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.8 ttp -64.2 -53.71 45.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.44 110.163 -179.561 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -43.29 99.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.29 108.998 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.54 -42.06 61.53 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.261 -0.899 . . . . 2.44 109.328 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -60.68 -46.1 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 1.74 109.702 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.12 -45.02 96.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 0.3 109.279 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.76 75.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 1.22 109.247 179.769 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.2 -36.95 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 1.72 109.427 179.904 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.64 -50.6 73.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.857 . . . . 0.27 109.678 -179.791 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.74 -43.02 99.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -0.889 . . . . 0.29 109.428 -179.953 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.73 -39.48 80.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.907 . . . . 1.91 109.196 179.789 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.5 tt -63.65 -42.38 98.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.523 -0.917 . . . . 0.41 108.523 179.652 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -58.71 -52.14 66.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 1.56 108.54 179.378 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.55 -29.1 64.11 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.837 -0.539 . . . . 1.43 109.574 179.853 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.71 71.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 0.66 109.405 -179.747 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -83.54 -57.54 3.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.864 . . . . 1.18 109.538 179.718 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.02 2.93 3.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.233 -0.917 . . . . 1.23 109.847 -179.768 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.15 90.7 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.85 -1.3 . . . . 1.54 109.85 -179.762 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.52 122.32 30.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.19 -1.182 . . . . 4.18 109.614 -179.892 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.54 112.18 2.45 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 5.71 109.369 -179.942 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.68 138.45 75.0 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.579 0.853 . . . . 5.61 109.912 -179.873 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.013 -1.437 . . . . 7.24 109.566 179.91 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.312 0.577 . . . . 7.34 109.511 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.43 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.321 -0.862 . . . . 7.17 109.73 -179.865 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 319' ' ' LYS . 21.7 mtpp 51.83 68.48 3.18 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.101 -0.999 . . . . 6.44 109.679 -179.777 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.3 Cg_endo -65.08 6.99 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.462 1.441 . . . . 4.54 110.1 -179.88 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.5 mt -80.95 30.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 4.32 109.321 -179.931 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' B' ' 322' ' ' PRO . 15.0 m-20 -78.07 -161.81 0.29 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.621 -0.674 . . . . 2.47 109.638 -179.72 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 149.69 49.8 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.84 -1.304 . . . . 0.95 109.84 -179.707 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.62 142.59 55.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -1.1 . . . . 1.61 109.485 179.949 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.5 m-85 -95.19 148.68 22.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.22 -0.925 . . . . 0.57 109.762 179.957 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.77 137.67 33.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.35 -0.844 . . . . 0.53 109.092 179.4 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.61 162.86 13.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.383 -0.823 . . . . 0.38 108.997 179.756 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 45.7 tp -149.09 132.12 16.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.36 109.909 -179.338 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.27 125.58 32.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.395 -0.815 . . . . 1.36 108.96 179.477 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.93 116.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.584 -0.698 . . . . 0.49 109.545 -179.622 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -76.42 155.37 34.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.229 -0.919 . . . . 2.1 109.997 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.81 137.75 2.48 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.493 -1.043 . . . . 0.44 110.493 179.238 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.19 -46.34 12.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -1.095 . . . . 2.72 109.181 179.508 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 -45.8 85.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.291 -0.88 . . . . 2.21 109.127 179.844 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -61.16 -43.94 98.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.289 -0.882 . . . . 2.79 109.131 179.705 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.24 -58.51 7.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.552 -0.718 . . . . 0.45 109.415 179.889 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.37 -35.57 39.26 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.338 -0.851 . . . . 1.68 109.63 -179.743 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.2 -53.8 43.56 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.43 110.051 -179.423 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.28 -43.35 99.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 0.28 109.036 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.45 -42.12 61.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.874 . . . . 2.52 109.388 179.634 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 15.8 tp10 -60.65 -46.16 91.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.75 109.708 -179.912 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.07 -44.98 96.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.302 -0.874 . . . . 0.31 109.356 -179.986 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.48 -49.85 74.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.207 -0.933 . . . . 1.21 109.181 179.741 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.06 -36.94 83.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.69 109.521 179.884 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.7 -50.53 73.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.361 -0.837 . . . . 0.27 109.713 -179.786 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.69 -43.11 99.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.895 . . . . 0.3 109.43 -179.995 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.62 -39.54 80.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.93 109.162 179.759 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.5 tt -63.54 -42.3 98.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.484 -0.932 . . . . 0.4 108.484 179.666 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -52.24 66.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 1.59 108.598 179.359 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.51 -29.07 64.01 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.186 0.517 . . . . 1.43 109.617 179.786 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.79 71.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.65 109.477 -179.745 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -83.51 -57.55 3.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.229 -0.92 . . . . 1.19 109.568 179.716 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.99 2.93 3.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 1.22 109.82 -179.804 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.49 -3.12 90.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.827 -1.309 . . . . 1.53 109.827 -179.779 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.49 122.38 30.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -1.201 . . . . 4.21 109.597 -179.919 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.57 112.17 2.45 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.837 . . . . 5.68 109.38 -179.962 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.62 138.42 75.18 Favored 'Trans proline' 0 C--O 1.215 -0.649 0 C-N-CA 120.679 0.92 . . . . 5.57 109.884 -179.874 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.544 -1.423 . . . . 7.2 109.544 179.874 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' C' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.262 0.553 . . . . 8.96 109.509 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.35 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.372 -0.83 . . . . 8.15 109.806 -179.897 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' C' ' 319' ' ' LYS . 21.6 mtpp 52.03 68.38 3.23 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.116 -0.99 . . . . 7.15 109.652 -179.843 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.3 Cg_endo -65.03 6.93 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 121.481 1.454 . . . . 4.35 110.159 -179.9 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.5 mt -80.86 30.8 0.31 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.157 -0.964 . . . . 4.63 109.369 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' C' ' 322' ' ' PRO . 15.1 m-20 -77.99 -161.81 0.28 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.622 -0.674 . . . . 2.85 109.67 -179.731 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 149.64 49.71 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.808 -1.317 . . . . 1.12 109.808 -179.716 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.56 142.5 55.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.437 -1.037 . . . . 2.11 109.546 179.924 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.4 m-85 -95.18 148.64 22.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.198 -0.939 . . . . 0.64 109.792 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.74 137.67 33.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.49 109.105 179.412 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.9 p -96.62 162.74 13.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.391 -0.818 . . . . 0.47 108.963 179.814 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -148.91 132.23 16.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.048 -1.032 . . . . 0.42 109.923 -179.324 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.36 125.58 32.43 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.899 -0.778 . . . . 1.81 108.899 179.507 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -123.91 116.31 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.597 -0.69 . . . . 0.42 109.539 -179.675 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.51 155.49 33.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.219 -0.926 . . . . 2.35 109.896 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.82 137.66 2.46 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.446 -1.062 . . . . 0.41 110.446 179.164 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.17 -46.31 12.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.408 -1.054 . . . . 2.59 109.226 179.528 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.8 -45.7 85.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.909 . . . . 2.54 109.187 179.755 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.25 -44.01 97.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 3.39 109.091 179.721 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.22 -58.43 7.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.586 -0.696 . . . . 0.47 109.425 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.43 -35.58 40.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.848 . . . . 1.66 109.607 -179.742 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.17 -53.8 43.65 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -0.958 . . . . 0.61 110.057 -179.463 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.35 -43.28 99.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.976 . . . . 0.33 108.985 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.59 -42.01 61.6 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.292 -0.88 . . . . 3.28 109.386 179.692 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 15.6 tp10 -60.65 -46.19 91.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.29 -0.881 . . . . 1.78 109.641 -179.965 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.16 -45.04 96.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.38 109.26 -179.876 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.81 75.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 1.2 109.184 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.04 -37.02 83.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.392 -0.818 . . . . 2.12 109.52 179.886 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.65 -50.5 73.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.26 109.731 -179.76 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.79 -43.03 99.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.4 109.361 -179.954 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.67 -39.47 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.942 . . . . 2.09 109.228 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.5 tt -63.52 -42.33 98.45 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.486 -0.931 . . . . 0.75 108.486 179.629 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -52.27 66.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 2.19 108.598 179.366 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.46 -29.08 63.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.856 -0.528 . . . . 1.34 109.619 179.781 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.73 71.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.72 109.406 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -83.56 -57.59 3.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.276 -0.89 . . . . 1.8 109.491 179.733 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 2.79 3.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 1.39 109.806 -179.755 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.4 -3.13 90.71 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.857 -1.297 . . . . 1.66 109.857 -179.735 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.46 122.38 30.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.084 -1.245 . . . . 4.45 109.631 -179.95 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.6 112.14 2.44 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.34 -0.85 . . . . 6.19 109.333 -179.919 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.59 138.51 75.87 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 120.639 0.893 . . . . 5.58 109.844 -179.885 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.958 -1.468 . . . . 6.9 109.589 179.847 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' D' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.273 0.559 . . . . 7.36 109.5 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 57.42 -82.1 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 7.15 109.777 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' D' ' 319' ' ' LYS . 21.7 mtpp 51.91 68.43 3.21 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 6.5 109.673 -179.812 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.3 Cg_endo -65.05 6.92 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.453 1.435 . . . . 4.5 110.095 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.6 mt -80.86 30.82 0.31 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 4.32 109.298 -179.919 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' D' ' 322' ' ' PRO . 15.1 m-20 -78.03 -161.83 0.29 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.683 -0.635 . . . . 2.46 109.615 -179.729 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 149.57 49.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.84 -1.304 . . . . 0.97 109.84 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.53 142.59 55.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -1.055 . . . . 1.67 109.554 179.915 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 37.4 m-85 -95.24 148.63 22.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.891 . . . . 0.61 109.811 179.947 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.77 137.63 33.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.34 -0.85 . . . . 0.56 109.097 179.445 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 47.1 p -96.53 162.82 13.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.363 -0.835 . . . . 0.43 108.922 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 45.6 tp -148.99 132.23 16.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.048 -1.032 . . . . 0.35 109.927 -179.396 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.33 125.61 32.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.449 -0.782 . . . . 1.37 108.893 179.497 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.04 116.24 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.527 -0.733 . . . . 0.48 109.512 -179.645 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.46 34.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 2.08 109.913 179.919 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.76 137.66 2.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.476 -1.05 . . . . 0.4 110.476 179.135 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.05 -46.34 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -1.075 . . . . 2.64 109.232 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.84 -45.73 85.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 2.22 109.138 179.841 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.397 -0.815 . . . . 2.74 109.099 179.758 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.17 -58.42 7.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.504 -0.748 . . . . 0.43 109.467 179.876 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.56 -35.5 41.29 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.355 -0.841 . . . . 1.69 109.621 -179.737 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.14 -53.84 43.16 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.287 -0.883 . . . . 0.43 110.093 -179.514 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.29 -43.28 99.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.27 109.055 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.49 -42.07 61.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 2.45 109.426 179.653 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -60.69 -46.17 91.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 1.75 109.634 -179.906 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.8 mt -61.09 -44.99 96.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.234 -0.917 . . . . 0.31 109.302 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -57.53 -49.74 75.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.166 -0.959 . . . . 1.22 109.179 179.794 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.1 -36.92 83.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.905 . . . . 1.73 109.517 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.75 -50.52 73.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.28 109.695 -179.733 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.76 -43.05 99.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.886 . . . . 0.31 109.358 -179.971 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.74 -39.45 80.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 1.91 109.168 179.849 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.567 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -63.69 -42.3 98.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.43 108.527 179.659 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.479 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -58.83 -51.99 67.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.018 -1.051 . . . . 1.57 108.605 179.403 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.6 -29.14 64.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.27 0.557 . . . . 1.44 109.615 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.66 71.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.195 -0.941 . . . . 0.64 109.384 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -83.57 -57.63 3.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 1.21 109.491 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 2.85 3.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 1.22 109.729 -179.723 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.36 -3.1 90.71 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.918 -1.273 . . . . 1.5 109.918 -179.814 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.59 122.38 30.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.092 -1.24 . . . . 4.18 109.57 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.53 112.09 2.39 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.822 . . . . 5.67 109.327 -179.9 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.64 138.41 75.04 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.591 0.861 . . . . 5.65 109.941 -179.895 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.516 -1.433 . . . . 7.27 109.516 179.955 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.442 -0.577 . . . . 7.33 109.442 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 74.9 tttt 60.64 151.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.439 -0.788 . . . . 7.21 109.717 179.959 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.39 63.62 5.56 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 6.47 110.077 -179.708 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.14 131.6 29.1 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 121.56 1.507 . . . . 4.53 109.626 179.6 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.23 75.89 9.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.065 -1.022 . . . . 4.35 109.597 179.76 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.9 -150.57 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.651 -0.656 . . . . 2.48 109.48 179.722 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.95 171.9 41.28 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.672 -1.371 . . . . 0.98 109.672 179.662 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -59.94 137.23 58.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -1.161 . . . . 1.7 109.796 179.918 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.23 156.43 16.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.303 -0.873 . . . . 0.61 109.254 179.665 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.33 -170.08 2.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.36 -0.837 . . . . 0.58 109.23 179.624 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.2 p -153.51 147.11 25.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.151 -0.968 . . . . 0.42 109.129 -179.961 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.2 136.72 33.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.438 -0.789 . . . . 0.36 109.804 -179.048 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.67 33.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.701 -0.625 . . . . 1.37 109.345 179.185 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -123.35 116.5 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.656 -0.868 . . . . 0.47 108.656 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -73.75 152.8 40.25 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.32 -0.863 . . . . 2.1 109.918 -179.577 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.46 141.07 2.67 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.095 -1.202 . . . . 0.42 110.095 179.392 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.4 -48.62 11.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.378 -1.072 . . . . 2.68 109.281 179.688 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.84 -37.56 74.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.093 -1.005 . . . . 2.22 109.047 179.841 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.96 -42.98 99.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.218 -0.926 . . . . 2.77 108.844 179.362 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.1 -56.05 25.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.552 -0.717 . . . . 0.43 109.6 179.697 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.89 -38.46 56.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.863 . . . . 1.66 109.756 -179.768 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.76 -53.07 59.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.289 -0.882 . . . . 0.44 110.087 -179.418 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.24 -45.79 93.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.147 -0.971 . . . . 0.29 108.958 -179.934 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.32 -41.87 60.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.295 -0.878 . . . . 2.44 109.352 179.788 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.96 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 1.74 109.848 -179.597 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.09 -40.4 93.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.207 -0.933 . . . . 0.3 108.833 179.833 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.03 -53.73 55.07 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 1.22 109.432 179.488 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.17 -34.05 75.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.375 -0.828 . . . . 1.72 109.382 179.993 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.26 -48.38 80.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.27 109.214 -179.985 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.51 -46.39 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.383 -0.823 . . . . 0.29 109.353 179.588 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.1 -35.78 74.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 1.91 109.53 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.51 -51.7 61.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.41 109.569 -179.801 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.79 -43.93 97.52 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.433 -0.792 . . . . 1.56 109.063 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.59 -33.43 66.21 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.54 -0.725 . . . . 1.43 109.68 179.885 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -51.29 52.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 0.66 109.815 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.532 ' OE1' ' NE2' ' B' ' 354' ' ' GLN . 24.8 mt-30 -80.69 1.81 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 1.18 109.782 -179.77 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.15 -81.09 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.215 -0.928 . . . . 1.23 109.994 -179.742 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.64 9.27 0.64 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.209 -1.156 . . . . 1.54 110.209 -179.448 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 355' ' ' ALA . 78.9 tttt -86.14 49.42 1.78 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.29 . . . . 4.18 109.132 179.91 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.82 155.54 1.95 Allowed Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.198 -0.939 . . . . 5.71 109.39 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.73 -81.09 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.1 1.2 . . . . 5.61 110.066 179.248 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 CA-C-O 117.916 -1.491 . . . . 7.24 109.684 -179.684 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.401 -0.592 . . . . 7.34 109.401 . . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 319' ' ' LYS . 75.0 tttt 60.65 151.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 7.17 109.666 179.901 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.46 63.49 5.61 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.442 -0.786 . . . . 6.44 110.056 -179.778 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.12 131.59 29.11 Favored 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.589 1.526 . . . . 4.54 109.597 179.626 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.24 75.89 9.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.095 -1.003 . . . . 4.32 109.507 179.861 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.88 -150.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.607 -0.683 . . . . 2.47 109.447 179.718 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 171.99 42.29 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.641 -1.384 . . . . 0.95 109.641 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -59.96 137.1 58.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 1.61 109.749 179.997 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.14 156.47 16.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.328 -0.857 . . . . 0.57 109.323 179.569 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.33 -170.1 2.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.413 -0.804 . . . . 0.53 109.218 179.609 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.6 p -153.57 147.04 24.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.301 -0.874 . . . . 0.38 109.136 -179.868 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.24 136.73 33.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.36 109.751 -179.037 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.79 33.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.634 -0.666 . . . . 1.36 109.287 179.197 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.42 116.5 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 108.672 -0.862 . . . . 0.49 108.672 179.469 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.75 152.78 40.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.383 -0.823 . . . . 2.1 109.94 -179.581 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.52 141.04 2.69 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.423 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -81.36 -48.62 11.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -1.057 . . . . 2.72 109.257 179.712 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.81 -37.57 74.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.21 109.115 179.837 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -62.0 -42.92 99.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.203 -0.935 . . . . 2.79 108.835 179.45 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.08 -56.03 25.79 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.606 -0.684 . . . . 0.45 109.622 179.659 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.81 -38.43 55.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.786 . . . . 1.68 109.869 -179.847 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.82 -53.07 59.97 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.174 -0.954 . . . . 0.43 110.081 -179.439 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.27 -45.83 92.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.204 -0.935 . . . . 0.28 108.949 -179.917 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.26 -41.84 60.67 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.279 -0.888 . . . . 2.52 109.47 179.731 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.94 -53.48 57.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.213 -0.93 . . . . 1.75 109.919 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.1 -40.42 93.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 0.31 108.848 179.746 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.05 -53.74 54.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.401 -0.812 . . . . 1.21 109.412 179.534 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -61.97 -34.3 75.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 1.69 109.423 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -48.32 80.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 0.27 109.231 -179.938 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.69 -46.16 89.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.358 -0.839 . . . . 0.3 109.37 179.623 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.24 -35.77 74.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.93 109.574 179.939 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.5 -51.75 61.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.4 109.498 -179.81 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.75 -43.95 97.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.325 -0.859 . . . . 1.59 109.061 -179.951 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.62 -33.28 66.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.494 -0.754 . . . . 1.43 109.726 179.881 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.22 51.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.65 109.766 -179.681 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.532 ' NE2' ' OE1' ' A' ' 354' ' ' GLN . 89.4 mt-30 -80.75 1.81 28.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.245 -0.909 . . . . 1.19 109.723 -179.758 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.23 -81.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.146 -0.971 . . . . 1.22 109.904 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.57 9.3 0.62 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.226 -1.15 . . . . 1.53 110.226 -179.443 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 355' ' ' ALA . 78.9 tttt -86.23 49.46 1.79 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.004 -1.292 . . . . 4.21 109.2 179.916 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.84 155.55 1.96 Allowed Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.281 -0.887 . . . . 5.68 109.41 -179.462 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.76 -80.99 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 121.087 1.191 . . . . 5.57 110.084 179.269 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.95 -1.472 . . . . 7.2 109.712 -179.751 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' C' ' 320' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.385 -0.598 . . . . 8.96 109.385 . . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' C' ' 319' ' ' LYS . 74.9 tttt 60.57 151.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.368 -0.833 . . . . 8.15 109.712 179.943 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 61.3 tttm 56.44 63.58 5.55 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 7.15 110.05 -179.739 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.7 Cg_endo -65.07 131.6 29.23 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 121.537 1.492 . . . . 4.35 109.607 179.63 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.25 75.83 9.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 4.63 109.523 179.776 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.82 -150.49 0.12 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.643 -0.661 . . . . 2.85 109.494 179.654 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.04 172.1 41.21 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.661 -1.375 . . . . 1.12 109.661 179.733 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -60.04 137.19 58.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -1.151 . . . . 2.11 109.746 179.978 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.2 156.49 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.266 -0.896 . . . . 0.64 109.324 179.566 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.43 -170.07 2.66 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.451 -0.78 . . . . 0.49 109.202 179.634 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.8 p -153.56 147.15 25.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -0.885 . . . . 0.47 109.139 -179.876 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.4 136.67 33.33 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.406 -0.809 . . . . 0.42 109.736 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.07 132.64 34.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.7 -0.625 . . . . 1.81 109.45 179.133 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.4 116.51 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 N-CA-C 108.672 -0.862 . . . . 0.42 108.672 179.493 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.77 152.78 40.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.391 -0.818 . . . . 2.35 109.954 -179.579 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.03 2.68 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.091 -1.204 . . . . 0.41 110.091 179.361 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -81.42 -48.49 11.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.308 -1.113 . . . . 2.59 109.281 179.735 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -37.5 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 2.54 109.121 179.831 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.225 -0.922 . . . . 3.39 108.88 179.381 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -56.11 -56.02 25.98 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.526 -0.734 . . . . 0.47 109.629 179.616 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -51.79 -38.53 55.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.66 109.785 -179.869 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.84 -53.01 60.82 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.202 -0.936 . . . . 0.61 110.084 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.26 -45.83 92.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.121 -0.987 . . . . 0.33 108.952 -179.996 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -51.3 -41.92 60.8 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.24 -0.912 . . . . 3.28 109.389 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.91 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.78 109.827 -179.567 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.117 -0.989 . . . . 0.38 108.855 179.791 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.0 -53.75 54.88 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.486 -0.758 . . . . 1.2 109.393 179.495 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.1 -34.28 76.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.454 -0.779 . . . . 2.12 109.394 -179.954 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.18 -48.23 80.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.833 . . . . 0.26 109.25 -179.926 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.66 -46.35 88.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.367 -0.833 . . . . 0.4 109.389 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.12 -35.7 73.92 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.361 -0.837 . . . . 2.09 109.538 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.56 -51.59 62.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.847 . . . . 0.75 109.54 -179.748 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.86 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.286 -0.884 . . . . 2.19 109.034 -179.96 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.65 -33.32 66.22 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.525 -0.735 . . . . 1.34 109.664 179.898 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -51.16 52.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.72 109.839 -179.67 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.465 ' NE2' ' OE1' ' D' ' 354' ' ' GLN . 89.3 mt-30 -80.75 1.76 28.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.341 -0.849 . . . . 1.8 109.756 -179.856 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.15 -81.14 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.952 . . . . 1.39 109.952 -179.697 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.54 9.36 0.61 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.207 -1.157 . . . . 1.66 110.207 -179.431 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' C' ' 355' ' ' ALA . 78.9 tttt -86.3 49.4 1.78 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.294 . . . . 4.45 109.146 179.949 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.76 155.52 1.93 Allowed Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.2 -0.938 . . . . 6.19 109.393 -179.459 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.66 -80.98 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.058 1.172 . . . . 5.58 110.119 179.209 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 117.956 -1.469 . . . . 6.9 109.693 -179.691 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' D' ' 320' ' ' LYS . 97.0 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.49 -0.559 . . . . 7.36 109.49 . . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' D' ' 319' ' ' LYS . 74.9 tttt 60.61 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 7.15 109.679 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.38 63.52 5.64 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 6.5 110.054 -179.72 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.03 131.59 29.27 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 C-N-CA 121.579 1.52 . . . . 4.5 109.626 179.589 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.25 75.8 9.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.039 -1.038 . . . . 4.32 109.531 179.846 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -84.79 -150.52 0.12 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.672 -0.642 . . . . 2.46 109.525 179.668 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.1 172.07 41.47 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.635 -1.386 . . . . 0.97 109.635 179.767 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -60.11 137.14 58.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -1.116 . . . . 1.67 109.707 -179.949 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.11 156.56 16.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.286 -0.884 . . . . 0.61 109.326 179.618 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.53 -170.15 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.368 -0.832 . . . . 0.56 109.221 179.686 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.4 p -153.54 147.09 25.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.236 -0.915 . . . . 0.43 109.167 -179.855 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.3 136.69 33.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.508 -0.745 . . . . 0.35 109.83 -179.057 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.75 33.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.695 -0.628 . . . . 1.37 109.343 179.199 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.36 116.5 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 108.652 -0.87 . . . . 0.48 108.652 179.528 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.83 152.78 40.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.481 -0.762 . . . . 2.08 109.896 -179.544 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.12 2.7 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.06 -1.216 . . . . 0.4 110.06 179.412 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.52 -48.43 11.84 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -1.078 . . . . 2.64 109.357 179.678 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.93 -37.56 74.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 2.22 109.027 179.793 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.226 -0.922 . . . . 2.74 108.872 179.385 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.04 -55.95 26.66 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.551 -0.718 . . . . 0.43 109.699 179.645 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.9 -38.42 56.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.524 -0.735 . . . . 1.69 109.802 -179.864 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.91 -52.95 61.09 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.207 -0.933 . . . . 0.43 110.093 -179.361 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.126 -0.984 . . . . 0.27 108.993 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.34 -41.82 60.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.313 -0.867 . . . . 2.45 109.424 179.807 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.94 -53.55 56.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.229 -0.92 . . . . 1.75 109.884 -179.636 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.0 -40.47 93.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.162 -0.962 . . . . 0.31 108.813 179.761 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.99 -53.82 54.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.499 -0.75 . . . . 1.22 109.379 179.592 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.07 -34.13 75.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 1.73 109.419 -179.977 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.23 -48.27 80.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.273 -0.892 . . . . 0.28 109.238 -179.944 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -46.5 88.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 0.31 109.361 179.537 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.99 -35.76 73.76 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.321 -0.862 . . . . 1.91 109.528 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.57 -51.61 61.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.43 109.509 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.331 -0.856 . . . . 1.57 109.054 -179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -56.67 -33.3 66.25 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.522 -0.736 . . . . 1.44 109.726 179.866 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.21 52.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.64 109.78 -179.661 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.465 ' OE1' ' NE2' ' C' ' 354' ' ' GLN . 24.8 mt-30 -80.81 1.94 28.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 1.21 109.732 -179.802 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.3 -81.1 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 1.22 109.917 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.52 9.31 0.61 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.167 -1.173 . . . . 1.5 110.167 -179.451 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' D' ' 355' ' ' ALA . 78.9 tttt -86.24 49.43 1.79 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.286 . . . . 4.18 109.158 179.944 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.71 155.52 1.9 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 5.67 109.464 -179.504 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.73 -80.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 121.085 1.19 . . . . 5.65 110.094 179.274 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 CA-C-O 117.936 -1.48 . . . . 7.27 109.702 -179.741 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.265 0.555 . . . . 7.33 109.524 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.1 167.13 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 7.21 109.422 179.891 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 323' ' ' LEU . 46.6 tttp 57.92 70.62 1.23 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 6.47 109.551 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.0 Cg_endo -64.17 4.88 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 121.489 1.459 . . . . 4.53 110.029 -179.627 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.8 mt -82.23 30.29 0.4 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.186 -0.946 . . . . 4.35 109.193 179.722 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 322' ' ' PRO . 26.2 m-20 -78.23 -126.52 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.737 -0.602 . . . . 2.48 110.205 -179.299 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.642 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -67.5 161.2 48.74 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.121 -1.192 . . . . 0.98 110.121 -179.216 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.1 129.58 42.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.404 -1.056 . . . . 1.7 109.674 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.287 -0.883 . . . . 0.61 109.594 179.878 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -138.99 139.65 37.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.352 -0.843 . . . . 0.58 108.836 179.462 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.7 p -93.77 164.79 12.99 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.42 109.164 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.65 14.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.156 -0.965 . . . . 0.36 110.104 -179.243 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.15 127.25 33.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.37 108.864 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.43 117.25 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 121.563 -0.711 . . . . 0.47 109.76 -179.514 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.665 HH21 ' H ' ' C' ' 325' ' ' GLY . 19.2 ttt-85 -76.88 154.38 33.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 2.1 109.62 179.474 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.37 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.336 -1.106 . . . . 0.42 110.336 179.154 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' C' ' 326' ' ' GLU . 34.8 ttm180 -83.28 -47.4 11.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -1.091 . . . . 2.68 109.398 179.639 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.74 -42.38 93.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.958 . . . . 2.22 109.418 179.9 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.51 -41.89 97.97 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.376 -0.828 . . . . 2.77 109.554 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.04 -55.75 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.695 . . . . 0.43 109.791 -179.884 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.02 -38.06 49.04 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.272 -0.893 . . . . 1.66 109.958 -179.661 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -52.6 59.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.286 -0.884 . . . . 0.44 110.695 -179.152 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.72 -43.56 97.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.29 109.279 -179.519 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.47 -43.65 62.19 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.201 -0.937 . . . . 2.44 109.567 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.92 -46.36 91.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 1.74 109.971 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.7 mt -61.19 -42.56 98.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 0.3 109.373 -179.755 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.58 -50.64 73.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.19 -0.944 . . . . 1.22 109.594 179.97 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.34 -34.88 78.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.89 . . . . 1.72 109.865 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.49 -50.43 73.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.27 110.073 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.51 -43.75 98.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.29 109.67 -179.719 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.55 -34.66 72.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.117 -0.989 . . . . 1.91 109.433 179.938 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -64.71 -51.2 63.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 0.41 109.314 -179.883 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.03 -42.42 94.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.895 . . . . 1.56 109.035 179.843 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.36 -46.05 80.17 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.504 -0.748 . . . . 1.43 109.12 179.587 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.11 65.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.66 109.193 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -82.27 -3.12 54.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.876 . . . . 1.18 109.585 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.38 -88.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.964 . . . . 1.23 109.402 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.16 83.13 0.07 OUTLIER Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.488 -1.445 . . . . 1.54 109.488 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.34 151.74 23.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.2 -1.176 . . . . 4.18 109.657 -179.814 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -51.29 152.31 4.39 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.858 . . . . 5.71 109.19 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.4 143.76 85.62 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.02 1.147 . . . . 5.61 109.919 179.426 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.967 -1.463 . . . . 7.24 109.512 179.903 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.522 -0.547 . . . . 7.34 109.522 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.08 167.19 0.06 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.348 -0.845 . . . . 7.17 109.381 179.887 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' B' ' 323' ' ' LEU . 46.5 tttp 57.9 70.55 1.25 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.299 -0.876 . . . . 6.44 109.571 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -64.09 4.82 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.098 0 C-N-CA 121.557 1.505 . . . . 4.54 110.048 -179.664 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.7 mt -82.21 30.29 0.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.258 -0.901 . . . . 4.32 109.148 179.739 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -78.34 -126.91 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.73 -0.606 . . . . 2.47 110.09 -179.23 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.729 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -66.91 161.25 47.27 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.143 -1.183 . . . . 0.95 110.143 -179.286 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' D' ' 335' ' ' ARG . 53.2 mt-10 -60.23 129.62 42.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.442 -1.034 . . . . 1.61 109.699 179.948 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 32.2 m-85 -97.85 152.94 18.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.22 -0.925 . . . . 0.57 109.625 179.928 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -138.88 139.74 38.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.283 -0.885 . . . . 0.53 108.831 179.447 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.4 p -93.9 164.8 12.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.339 -0.851 . . . . 0.38 109.176 -179.783 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.72 14.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.36 110.129 -179.201 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.2 33.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.854 -0.795 . . . . 1.36 108.854 179.528 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.41 117.12 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.491 -0.756 . . . . 0.49 109.829 -179.465 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.744 HH21 ' H ' ' D' ' 325' ' ' GLY . 19.3 ttt-85 -76.66 154.38 34.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 2.1 109.607 179.508 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.94 137.24 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.386 -1.086 . . . . 0.44 110.386 179.124 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.17 -47.45 11.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.347 -1.09 . . . . 2.72 109.409 179.585 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.75 -42.52 93.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.176 -0.952 . . . . 2.21 109.374 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.31 -41.91 97.79 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.415 -0.803 . . . . 2.79 109.524 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.12 -55.7 28.16 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.493 -0.754 . . . . 0.45 109.741 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.1 -38.06 49.55 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.198 -0.939 . . . . 1.68 109.96 -179.642 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.8 -52.74 58.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 0.43 110.689 -179.205 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.65 -43.52 97.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.06 -1.025 . . . . 0.28 109.322 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.42 -43.85 62.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.251 -0.906 . . . . 2.52 109.489 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.86 -46.32 91.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.873 . . . . 1.75 110.024 -179.673 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.1 -42.57 98.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.219 -0.926 . . . . 0.31 109.436 -179.835 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.57 -50.62 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 1.21 109.652 179.96 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.33 -34.9 78.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.185 -0.947 . . . . 1.69 109.85 -179.817 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.58 -50.32 74.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 0.27 110.033 -179.51 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.63 -43.61 98.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.3 109.686 -179.723 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.61 -34.6 72.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 1.93 109.413 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -64.71 -51.29 63.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.4 109.28 -179.875 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -59.9 -42.51 94.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.21 -0.931 . . . . 1.59 109.061 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.29 -46.09 79.91 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.108 -0.701 . . . . 1.43 109.108 179.552 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.19 65.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.322 -0.861 . . . . 0.65 109.201 179.788 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -82.4 -2.94 54.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 1.19 109.596 -179.993 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.35 -88.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 1.22 109.381 179.952 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.18 83.14 0.07 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.465 -1.454 . . . . 1.53 109.465 179.919 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.32 151.78 23.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.173 -1.193 . . . . 4.21 109.592 -179.806 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -51.23 152.22 4.34 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.395 -0.816 . . . . 5.68 109.193 -179.852 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.31 143.74 84.85 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 121.109 1.206 . . . . 5.57 109.868 179.378 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.505 -1.438 . . . . 7.2 109.505 179.805 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.568 -0.53 . . . . 8.96 109.568 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.1 167.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.35 -0.844 . . . . 8.15 109.331 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' C' ' 323' ' ' LEU . 46.6 tttp 57.89 70.54 1.25 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.851 . . . . 7.15 109.601 179.97 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -64.1 4.81 0.47 Allowed 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.591 1.527 . . . . 4.35 109.991 -179.595 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.8 mt -82.18 30.24 0.4 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 4.63 109.195 179.729 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.25 -126.67 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.72 -0.612 . . . . 2.85 110.204 -179.309 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.665 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -67.19 161.2 48.05 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.159 -1.176 . . . . 1.12 110.159 -179.282 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 335' ' ' ARG . 53.2 mt-10 -60.11 129.6 42.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.425 -1.044 . . . . 2.11 109.7 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.345 -0.847 . . . . 0.64 109.639 179.874 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.94 139.65 38.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.49 108.837 179.5 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.87 164.84 12.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.293 -0.879 . . . . 0.47 109.219 -179.824 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.22 130.61 14.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.42 110.026 -179.117 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.11 127.22 33.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 1.81 108.874 179.513 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.45 117.2 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 O-C-N 121.551 -0.718 . . . . 0.42 109.753 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.642 HH21 ' H ' ' A' ' 325' ' ' GLY . 19.3 ttt-85 -76.72 154.34 34.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.827 . . . . 2.35 109.641 179.44 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.98 137.17 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.364 -1.094 . . . . 0.41 110.364 179.126 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.22 -47.43 11.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -1.096 . . . . 2.59 109.379 179.657 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.46 93.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.166 -0.958 . . . . 2.54 109.383 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.353 -0.842 . . . . 3.39 109.515 -179.946 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.02 -55.74 27.52 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.473 -0.767 . . . . 0.47 109.745 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.06 -38.05 49.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.66 109.923 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.89 -52.75 58.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.253 -0.904 . . . . 0.61 110.64 -179.102 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.61 -43.66 97.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.33 109.239 -179.444 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.4 -43.74 62.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.228 -0.92 . . . . 3.28 109.554 179.763 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.42 90.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 1.78 109.969 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -42.51 98.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.141 -0.974 . . . . 0.38 109.431 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.62 -50.61 73.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 1.2 109.572 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.33 -34.93 78.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 2.12 109.877 -179.815 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.54 -50.36 74.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 0.26 110.088 -179.554 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.55 -43.59 98.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -0.88 . . . . 0.4 109.683 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -59.7 -34.53 73.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.213 -0.93 . . . . 2.09 109.473 179.987 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.71 -51.28 63.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.383 -0.823 . . . . 0.75 109.266 -179.904 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.02 -42.46 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 2.19 109.059 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.28 -46.07 79.9 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.1 -0.704 . . . . 1.34 109.1 179.549 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.18 -26.12 65.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.358 -0.839 . . . . 0.72 109.178 179.793 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -82.32 -3.02 54.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.379 -0.826 . . . . 1.8 109.56 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.45 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 1.39 109.367 -179.971 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.19 83.13 0.07 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.481 -1.448 . . . . 1.66 109.481 179.931 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.27 151.68 23.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -1.145 . . . . 4.45 109.679 -179.837 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -51.27 152.22 4.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 6.19 109.206 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.32 143.81 84.72 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 120.955 1.103 . . . . 5.58 109.961 179.432 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.464 -1.454 . . . . 6.9 109.464 179.876 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.259 0.552 . . . . 7.36 109.554 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.05 167.19 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.271 -0.893 . . . . 7.15 109.42 179.92 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' D' ' 323' ' ' LEU . 46.7 tttp 57.84 70.61 1.24 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.242 -0.911 . . . . 6.5 109.56 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -64.12 4.85 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.511 1.474 . . . . 4.5 110.013 -179.627 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.7 mt -82.08 30.15 0.4 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 4.32 109.205 179.648 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.24 -126.67 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.684 -0.635 . . . . 2.46 110.184 -179.219 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.744 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -67.28 161.3 48.15 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.154 -1.178 . . . . 0.97 110.154 -179.249 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.21 129.58 42.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.422 -1.046 . . . . 1.67 109.701 -179.944 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 32.2 m-85 -97.77 152.99 18.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.227 -0.92 . . . . 0.61 109.69 179.879 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -138.94 139.67 38.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.878 . . . . 0.56 108.822 179.479 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.84 164.78 12.98 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.274 -0.891 . . . . 0.43 109.187 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.75 14.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.186 -0.946 . . . . 0.35 110.044 -179.18 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.19 33.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 1.37 108.869 179.495 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.41 117.23 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.533 -0.729 . . . . 0.48 109.731 -179.474 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.729 HH21 ' H ' ' B' ' 325' ' ' GLY . 19.4 ttt-85 -76.74 154.33 34.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.388 -0.82 . . . . 2.08 109.647 179.446 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.36 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.331 -1.108 . . . . 0.4 110.331 179.076 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' B' ' 326' ' ' GLU . 34.9 ttm180 -83.23 -47.45 11.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.39 -1.065 . . . . 2.64 109.348 179.679 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.54 93.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 2.22 109.366 179.983 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.35 -41.96 97.91 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.319 -0.863 . . . . 2.74 109.496 -179.954 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -55.06 -55.73 27.75 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.577 -0.702 . . . . 0.43 109.75 -179.794 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.07 -38.03 49.21 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.224 -0.923 . . . . 1.69 109.954 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.87 -52.71 58.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.238 -0.914 . . . . 0.43 110.711 -179.206 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.57 -43.71 96.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.12 -0.987 . . . . 0.27 109.277 -179.55 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -51.4 -43.71 62.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.279 -0.888 . . . . 2.45 109.518 179.768 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.48 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.308 -0.87 . . . . 1.75 109.947 -179.748 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.12 -42.58 98.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.31 109.414 -179.75 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -58.47 -50.7 72.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.2 -0.938 . . . . 1.22 109.651 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -63.28 -34.9 78.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 1.73 109.863 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -50.36 74.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 0.28 110.095 -179.567 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.6 -43.51 98.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.31 109.695 -179.667 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.71 -34.65 73.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.91 109.432 179.954 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.516 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -64.66 -51.26 63.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.345 -0.847 . . . . 0.43 109.328 -179.916 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.04 -42.4 94.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 1.57 109.015 179.915 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.37 -46.08 80.2 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.065 -0.717 . . . . 1.44 109.065 179.612 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.18 65.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.358 -0.839 . . . . 0.64 109.223 179.777 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -82.26 -3.02 54.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 1.21 109.548 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.44 -88.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.95 . . . . 1.22 109.394 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.18 83.12 0.07 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.447 -1.461 . . . . 1.5 109.447 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.23 151.74 23.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.256 -1.144 . . . . 4.18 109.629 -179.845 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -51.28 152.22 4.44 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 5.67 109.187 -179.822 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.3 143.78 84.62 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.035 1.156 . . . . 5.65 109.913 179.395 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.486 -1.445 . . . . 7.27 109.486 179.832 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 321' ' ' LYS . 29.3 mmtp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.326 -0.62 . . . . 7.33 109.326 . . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 321' ' ' LYS . 64.6 mmtt 60.85 -5.78 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.462 -0.773 . . . . 7.21 110.237 179.973 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' A' ' 319' ' ' LYS . 79.4 mttt 57.59 118.72 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.443 -0.786 . . . . 6.47 109.954 179.835 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.7 Cg_exo -58.25 -161.34 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.69 0 N-CA-C 109.315 -1.071 . . . . 4.53 109.315 179.776 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.2 mm? -80.49 84.91 6.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.989 -1.069 . . . . 4.35 109.199 179.942 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.88 155.88 21.51 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.758 -0.589 . . . . 2.48 109.517 179.834 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.09 153.75 52.99 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.111 -1.596 . . . . 0.98 109.111 179.58 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.49 135.57 57.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.243 -1.151 . . . . 1.7 109.421 -179.917 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.336 -0.853 . . . . 0.61 109.762 -179.815 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -138.39 -173.96 3.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.374 -0.829 . . . . 0.58 109.332 179.946 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -149.73 147.97 28.69 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.569 -0.9 . . . . 0.42 108.569 179.99 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 67.5 tp -141.18 134.21 29.2 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.834 . . . . 0.36 109.913 -178.565 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.72 127.36 34.07 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.312 -0.996 . . . . 1.37 108.312 179.137 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.52 112.25 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.431 -0.793 . . . . 0.47 109.064 -179.406 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -75.52 149.99 38.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.532 -0.73 . . . . 2.1 109.863 -179.88 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.98 134.33 5.97 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.883 -1.287 . . . . 0.42 109.883 179.529 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.6 -48.43 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -1.089 . . . . 2.68 109.419 179.785 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.86 -44.16 90.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.37 -0.831 . . . . 2.22 109.359 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.246 -0.909 . . . . 2.77 109.233 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.83 -56.68 16.77 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.43 109.667 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.61 -39.25 57.65 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.294 -0.879 . . . . 1.66 109.728 -179.807 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.12 -51.94 64.51 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.273 -0.892 . . . . 0.44 110.155 -179.237 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.96 -46.57 90.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.109 -0.994 . . . . 0.29 108.899 -179.8 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.69 -43.15 62.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 2.44 109.5 179.74 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.72 -45.45 92.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.864 . . . . 1.74 110.093 -179.579 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.51 -42.49 96.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.3 109.221 -179.985 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.72 -52.7 64.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.357 -0.839 . . . . 1.22 109.323 179.707 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.42 ' CD ' ' HZ2' ' B' ' 351' ' ' LYS . 79.4 tt0 -63.51 -35.9 81.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 1.72 109.752 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.49 57.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.2 -0.937 . . . . 0.27 109.898 -179.601 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.06 -43.59 98.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.933 . . . . 0.29 109.296 -179.882 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -35.68 73.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.91 109.143 179.87 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.8 -44.19 94.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.435 -0.791 . . . . 0.41 109.329 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.99 -42.82 99.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 1.56 108.763 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -57.74 -29.51 64.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.622 -0.674 . . . . 1.43 109.388 179.547 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.79 84.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.66 109.911 -179.734 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -80.99 -5.14 57.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.18 109.39 -179.819 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.69 -6.41 40.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 1.23 109.347 179.713 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 -1.85 88.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.621 -1.392 . . . . 1.54 109.621 -179.933 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -85.66 124.44 32.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.213 -1.169 . . . . 4.18 109.489 -179.857 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -48.6 115.62 4.49 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 5.71 109.243 179.878 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -59.4 139.1 88.04 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.743 -0.907 . . . . 5.61 109.743 -179.783 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 118.002 -1.443 . . . . 7.24 109.568 -179.865 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' C ' ' H ' ' B' ' 321' ' ' LYS . 29.3 mmtp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.385 -0.598 . . . . 7.34 109.385 . . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' B' ' 321' ' ' LYS . 64.7 mmtt 60.77 -5.72 0.1 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 7.17 110.21 -179.936 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' B' ' 319' ' ' LYS . 79.4 mttt 57.57 118.8 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.623 -0.673 . . . . 6.44 109.918 179.814 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.36 -161.34 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.689 0 N-CA-C 109.302 -1.076 . . . . 4.54 109.302 179.806 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.514 HD22 ' N ' ' B' ' 323' ' ' LEU . 3.2 mm? -80.47 84.93 5.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.986 -1.071 . . . . 4.32 109.181 179.923 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.84 155.87 21.57 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.793 -0.567 . . . . 2.47 109.559 179.738 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 153.84 53.1 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.16 -1.576 . . . . 0.95 109.16 179.496 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.58 135.49 57.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -1.182 . . . . 1.61 109.387 -179.904 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.212 -0.93 . . . . 0.57 109.726 -179.803 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -138.35 -173.94 3.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.53 109.338 179.996 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -149.7 148.08 28.83 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.984 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.32 134.16 28.87 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.379 -0.826 . . . . 0.36 109.776 -178.524 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.68 127.37 34.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.326 -0.991 . . . . 1.36 108.326 179.085 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.48 112.23 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.399 -0.813 . . . . 0.49 109.184 -179.473 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.53 149.97 38.26 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.73 . . . . 2.1 109.816 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.35 5.98 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.921 -1.272 . . . . 0.44 109.921 179.498 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.63 -48.48 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -1.112 . . . . 2.72 109.318 179.882 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.8 -44.13 90.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.288 -0.883 . . . . 2.21 109.409 179.91 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.42 99.54 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.216 -0.928 . . . . 2.79 109.253 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.79 -56.68 16.75 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.514 -0.741 . . . . 0.45 109.69 -179.929 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.65 -39.23 57.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.841 . . . . 1.68 109.789 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.14 -51.9 64.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.43 110.191 -179.321 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.95 -46.6 90.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.28 108.899 -179.856 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.59 -43.2 62.4 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.368 -0.832 . . . . 2.52 109.573 179.716 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -59.68 -45.55 91.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 1.75 109.968 -179.563 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.56 -42.43 96.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.131 -0.981 . . . . 0.31 109.177 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.75 -52.66 64.75 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 1.21 109.365 179.684 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.5 -35.98 82.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 1.69 109.729 -179.945 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.65 55.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 0.27 109.919 -179.627 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.11 -43.5 98.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.96 . . . . 0.3 109.24 -179.785 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -59.0 -35.7 73.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 1.93 109.239 179.753 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.8 -44.2 94.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.307 -0.871 . . . . 0.4 109.25 179.832 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ2' ' CD ' ' A' ' 346' ' ' GLU . 11.5 ttmm -61.0 -42.96 99.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 1.59 108.792 179.911 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.63 -29.46 64.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.579 -0.7 . . . . 1.43 109.416 179.458 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.79 84.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.65 109.873 -179.668 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -80.96 -5.08 57.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 1.19 109.388 -179.833 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -6.42 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.955 . . . . 1.22 109.257 179.782 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 -1.88 88.25 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.605 -1.398 . . . . 1.53 109.605 -179.914 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.64 124.44 32.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.18 -1.188 . . . . 4.21 109.556 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -48.66 115.65 4.56 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.326 -0.859 . . . . 5.68 109.164 179.982 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -59.34 138.95 87.48 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 N-CA-C 109.774 -0.895 . . . . 5.57 109.774 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 117.962 -1.466 . . . . 7.2 109.532 -179.929 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' C' ' 321' ' ' LYS . 29.2 mmtp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.381 -0.6 . . . . 8.96 109.381 . . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' C' ' 321' ' ' LYS . 64.7 mmtt 60.77 -5.67 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.494 -0.754 . . . . 8.15 110.226 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' C' ' 319' ' ' LYS . 79.6 mttt 57.47 118.77 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.503 -0.748 . . . . 7.15 109.948 179.859 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.29 -161.33 0.02 OUTLIER 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.325 -1.067 . . . . 4.35 109.325 179.811 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.2 mm? -80.5 84.94 6.0 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.984 -1.073 . . . . 4.63 109.18 179.951 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 155.86 21.62 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.744 -0.598 . . . . 2.85 109.495 179.78 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.96 153.84 53.09 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.149 -1.58 . . . . 1.12 109.149 179.472 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.65 135.53 57.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.209 -1.171 . . . . 2.11 109.41 -179.958 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -93.96 145.91 24.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.902 . . . . 0.64 109.719 -179.748 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -138.3 -173.93 3.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.421 -0.799 . . . . 0.49 109.343 179.993 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.6 p -149.74 148.1 28.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.557 -0.905 . . . . 0.47 108.557 179.892 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 67.4 tp -141.29 134.24 29.05 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.368 -0.832 . . . . 0.42 109.825 -178.534 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.73 127.42 34.1 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.342 -0.984 . . . . 1.81 108.342 179.073 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.55 112.15 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.486 -0.759 . . . . 0.42 109.174 -179.421 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.5 150.01 38.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.543 -0.723 . . . . 2.35 109.874 -179.791 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.94 134.36 5.96 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.922 -1.271 . . . . 0.41 109.922 179.554 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -79.58 -48.43 13.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.423 -1.045 . . . . 2.59 109.369 179.845 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.89 -44.16 91.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.845 . . . . 2.54 109.332 179.898 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.63 -42.3 99.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.339 -0.85 . . . . 3.39 109.283 179.907 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.86 -56.64 17.28 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.513 -0.742 . . . . 0.47 109.637 -179.954 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.73 -39.17 57.96 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.42 -0.8 . . . . 1.66 109.783 -179.753 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.15 -51.86 64.76 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.293 -0.879 . . . . 0.61 110.244 -179.286 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.01 -46.56 90.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.33 108.904 -179.884 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.63 -43.11 62.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.307 -0.87 . . . . 3.28 109.527 179.701 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.84 -45.42 92.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.78 110.0 -179.539 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.61 -42.3 96.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.943 . . . . 0.38 109.241 -179.942 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -58.88 -52.59 65.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.895 . . . . 1.2 109.356 179.673 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.48 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 2.12 109.764 -179.964 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.55 56.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.26 109.958 -179.605 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.01 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.176 -0.952 . . . . 0.4 109.377 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.02 -35.74 73.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 2.09 109.218 179.779 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.85 -44.12 94.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 0.75 109.25 179.937 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.427 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 11.5 ttmm -61.04 -42.93 99.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.335 -0.853 . . . . 2.19 108.755 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.67 -29.44 64.64 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.666 -0.646 . . . . 1.34 109.452 179.486 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.74 84.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.72 109.92 -179.668 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -80.9 -5.18 57.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.161 -0.962 . . . . 1.8 109.467 -179.938 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.71 -6.4 40.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.973 . . . . 1.39 109.317 179.763 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 -1.85 88.29 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.64 -1.384 . . . . 1.66 109.64 -179.908 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.66 124.44 32.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -1.18 . . . . 4.45 109.567 -179.913 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -48.62 115.66 4.54 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 6.19 109.18 179.957 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -59.43 139.0 87.49 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 N-CA-C 109.703 -0.922 . . . . 5.58 109.703 -179.839 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.462 -1.455 . . . . 6.9 109.462 -179.961 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' D' ' 321' ' ' LYS . 29.2 mmtp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.407 -0.59 . . . . 7.36 109.407 . . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' D' ' 321' ' ' LYS . 64.6 mmtt 60.79 -5.73 0.1 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.539 -0.725 . . . . 7.15 110.269 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' D' ' 319' ' ' LYS . 79.4 mttt 57.53 118.72 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 6.5 109.976 179.83 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -58.25 -161.32 0.02 OUTLIER 'Trans proline' 0 C--O 1.215 -0.638 0 N-CA-C 109.336 -1.063 . . . . 4.5 109.336 179.821 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.2 mm? -80.47 84.91 5.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.006 -1.058 . . . . 4.32 109.199 179.909 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.92 155.89 21.47 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.775 -0.578 . . . . 2.46 109.468 179.848 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.95 153.82 53.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.18 -1.568 . . . . 0.97 109.18 179.482 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.55 135.51 57.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.158 -1.201 . . . . 1.67 109.411 -179.962 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.96 145.87 24.33 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.26 -0.9 . . . . 0.61 109.728 -179.81 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -138.26 -173.9 3.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.382 -0.824 . . . . 0.56 109.302 179.995 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.76 148.05 28.75 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.528 -0.916 . . . . 0.43 108.528 179.938 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.25 134.21 29.07 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.315 -0.865 . . . . 0.35 109.848 -178.554 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.72 127.39 34.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.28 -1.008 . . . . 1.37 108.28 179.12 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.45 112.32 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.483 -0.761 . . . . 0.48 109.196 -179.549 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -75.65 150.06 38.04 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.545 -0.722 . . . . 2.08 109.819 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.37 5.99 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.889 -1.284 . . . . 0.4 109.889 179.556 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.71 -48.41 13.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -1.077 . . . . 2.64 109.357 179.787 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -44.16 90.96 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 2.22 109.341 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -62.6 -42.29 99.48 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.242 -0.911 . . . . 2.74 109.294 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.9 -56.69 16.81 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.578 -0.702 . . . . 0.43 109.591 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.69 -39.18 57.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 1.69 109.773 -179.749 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.04 -51.98 64.65 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.201 -0.937 . . . . 0.43 110.229 -179.374 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.95 -46.62 89.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.065 -1.022 . . . . 0.27 108.932 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.59 -43.18 62.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -0.848 . . . . 2.45 109.567 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.73 -45.43 92.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.312 -0.868 . . . . 1.75 110.037 -179.571 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.65 -42.41 96.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.31 109.197 -179.931 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.73 -52.69 64.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.309 -0.869 . . . . 1.22 109.34 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.427 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 79.4 tt0 -63.46 -35.99 82.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 1.73 109.757 -179.946 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.49 57.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.28 109.976 -179.628 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.1 -43.55 98.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.31 109.293 -179.934 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.97 -35.74 73.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 1.91 109.17 179.818 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 23.8 tp -63.8 -44.16 94.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.381 -0.825 . . . . 0.43 109.324 179.875 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.03 -42.81 99.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.318 -0.864 . . . . 1.57 108.773 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -57.72 -29.52 64.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.625 -0.672 . . . . 1.44 109.35 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.85 84.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.64 109.879 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -80.84 -5.21 56.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.173 -0.955 . . . . 1.21 109.415 -179.877 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -6.28 40.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.172 -0.955 . . . . 1.22 109.334 179.772 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.19 -1.87 88.2 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.611 -1.396 . . . . 1.5 109.611 -179.96 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.68 124.43 32.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.206 -1.173 . . . . 4.18 109.541 -179.838 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -48.61 115.66 4.53 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.363 -0.835 . . . . 5.67 109.171 179.955 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -59.38 139.01 87.68 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 N-CA-C 109.769 -0.897 . . . . 5.65 109.769 -179.886 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.471 -1.451 . . . . 7.27 109.471 -179.952 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 320' ' ' LYS . 94.8 mttt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.408 -0.59 . . . . 7.33 109.408 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 319' ' ' LYS . 34.5 mttp 60.32 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.655 -0.653 . . . . 7.21 109.778 -179.743 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 321' ' ' LYS . 4.3 mptp? 49.78 69.01 2.92 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 6.47 109.176 -179.962 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -59.6 -80.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.471 1.447 . . . . 4.53 109.469 -179.598 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 12.8 mt -80.6 114.84 19.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.068 -1.02 . . . . 4.35 109.635 -179.928 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.62 -149.53 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.306 -0.871 . . . . 2.48 109.479 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 167.51 45.1 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.691 -1.364 . . . . 0.98 109.691 179.994 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.77 136.15 57.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -1.154 . . . . 1.7 109.463 179.987 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.54 153.41 18.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.176 -0.953 . . . . 0.61 109.469 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -135.73 -170.63 2.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.265 -0.897 . . . . 0.58 109.068 179.832 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.71 145.19 24.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.202 -0.936 . . . . 0.42 108.758 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.16 136.17 33.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.445 -0.784 . . . . 0.36 109.614 -178.502 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.17 128.64 34.93 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.464 -0.939 . . . . 1.37 108.464 179.031 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.03 116.41 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.309 0 N-CA-C 108.997 -0.742 . . . . 0.47 108.997 -179.804 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.61 152.66 39.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.728 -0.607 . . . . 2.1 110.006 -179.432 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.06 136.26 1.52 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.46 -1.056 . . . . 0.42 110.46 178.854 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -80.48 -41.6 24.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.422 -1.046 . . . . 2.68 109.057 179.313 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.39 -48.34 80.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 2.22 108.982 179.505 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.2 ttm180 -60.87 -42.53 98.1 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.463 -0.773 . . . . 2.77 109.155 179.676 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -55.12 -54.9 37.34 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.591 -0.693 . . . . 0.43 109.527 179.936 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.17 63.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.66 109.83 -179.772 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -61.66 -50.07 73.98 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.298 -0.876 . . . . 0.44 110.132 -179.133 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.77 -45.77 93.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.942 . . . . 0.29 108.902 -179.945 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -40.63 54.48 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.383 -0.823 . . . . 2.44 109.58 179.607 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.12 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 1.74 109.932 -179.588 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.91 -34.05 72.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.251 -0.905 . . . . 0.3 108.784 179.762 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.49 -57.45 12.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.535 -0.728 . . . . 1.22 109.33 179.317 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.53 -35.02 79.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.538 -0.726 . . . . 1.72 109.912 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.57 33.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.27 110.079 -179.253 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.76 -43.33 99.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.128 -0.982 . . . . 0.29 109.405 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.81 -33.43 70.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 1.91 109.093 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' B' ' 350' ' ' LEU . 2.3 tt -65.67 -52.06 54.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.428 -0.795 . . . . 0.41 109.191 -179.915 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.92 -42.36 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.314 -0.866 . . . . 1.56 109.097 179.819 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.494 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 35.0 m-20 -57.12 -35.62 69.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.582 -0.699 . . . . 1.43 109.514 179.898 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.24 78.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.66 109.388 -179.976 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -81.83 -2.72 51.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 1.18 109.608 -179.972 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -89.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.137 -0.977 . . . . 1.23 109.487 -179.922 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.89 83.71 0.93 Allowed Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.576 -1.41 . . . . 1.54 109.576 179.96 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -87.1 143.32 27.36 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -1.141 . . . . 4.18 109.614 -179.913 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -47.87 110.16 1.31 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.264 -0.897 . . . . 5.71 109.532 -179.657 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -61.41 172.2 3.62 Favored 'Trans proline' 0 N--CA 1.479 0.661 0 C-N-CA 120.705 0.937 . . . . 5.61 109.832 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 109.488 -1.445 . . . . 7.24 109.488 179.955 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.441 -0.577 . . . . 7.34 109.441 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 319' ' ' LYS . 34.5 mttp 60.43 144.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.594 -0.691 . . . . 7.17 109.712 -179.691 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 321' ' ' LYS . 4.3 mptp? 49.91 68.41 3.48 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.146 -0.971 . . . . 6.44 109.268 179.933 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -58.99 -80.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.398 1.399 . . . . 4.54 109.752 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.54 114.98 19.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.079 -1.013 . . . . 4.32 109.604 -179.835 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.8 -149.56 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.89 . . . . 2.47 109.491 -179.983 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 167.55 44.4 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.605 -1.398 . . . . 0.95 109.605 -179.965 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.63 136.13 57.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.288 -1.124 . . . . 1.61 109.555 179.699 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.53 153.05 18.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.125 -0.985 . . . . 0.57 109.621 179.931 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.54 -170.63 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.25 -0.906 . . . . 0.53 109.003 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.79 144.87 23.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.267 -0.896 . . . . 0.38 108.832 179.794 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -139.92 136.12 33.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.459 -0.776 . . . . 0.36 109.711 -178.417 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.29 128.6 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.395 -0.965 . . . . 1.36 108.395 179.143 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.89 116.46 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 N-CA-C 109.03 -0.73 . . . . 0.49 109.03 -179.838 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -74.67 153.06 39.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.657 -0.652 . . . . 2.1 109.943 -179.418 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.62 136.45 1.4 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.497 -1.041 . . . . 0.44 110.497 178.991 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.58 -41.54 23.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.397 -1.06 . . . . 2.72 109.037 179.26 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.45 -48.34 81.06 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 2.21 108.97 179.512 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -60.96 -42.52 98.44 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.529 -0.732 . . . . 2.79 109.115 179.678 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.19 -54.81 38.59 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.545 -0.722 . . . . 0.45 109.547 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.17 -43.12 63.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.411 -0.806 . . . . 1.68 109.828 -179.812 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -61.75 -50.05 73.93 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.318 -0.864 . . . . 0.43 110.087 -179.087 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.73 -45.8 92.86 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.079 -1.013 . . . . 0.28 108.905 -179.977 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.73 -40.6 54.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.407 -0.808 . . . . 2.52 109.584 179.625 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.16 -49.53 77.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.313 -0.867 . . . . 1.75 109.876 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.98 -34.01 72.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.31 108.74 179.847 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.4 -57.43 13.04 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.369 -0.832 . . . . 1.21 109.374 179.302 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.62 -35.0 79.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.523 -0.736 . . . . 1.69 109.945 -179.858 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.54 33.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.291 -0.881 . . . . 0.27 109.989 -179.223 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.73 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.3 109.372 -179.777 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.83 -33.37 70.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.307 -0.871 . . . . 1.93 109.177 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' A' ' 350' ' ' LEU . 2.3 tt -65.58 -52.16 54.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.466 -0.771 . . . . 0.4 109.169 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.468 -0.77 . . . . 1.59 109.078 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.42 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 35.6 m-20 -56.98 -35.67 69.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.509 -0.745 . . . . 1.43 109.619 179.777 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.15 77.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.29 -0.881 . . . . 0.65 109.417 -179.907 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -81.78 -2.86 52.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.315 -0.866 . . . . 1.19 109.565 179.899 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.43 -89.7 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 1.22 109.461 -179.998 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.74 83.66 0.91 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.51 -1.436 . . . . 1.53 109.51 -179.929 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -87.09 143.18 27.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.243 -1.151 . . . . 4.21 109.62 -179.967 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.7 110.16 1.29 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 5.68 109.525 -179.752 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -61.52 172.36 3.58 Favored 'Trans proline' 0 N--CA 1.479 0.643 0 C-N-CA 120.728 0.952 . . . . 5.57 109.763 -179.932 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.526 -1.43 . . . . 7.2 109.526 179.93 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.5 -0.556 . . . . 8.96 109.5 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 319' ' ' LYS . 34.6 mttp 60.49 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.63 -0.669 . . . . 8.15 109.679 -179.903 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' C' ' 321' ' ' LYS . 4.3 mptp? 49.89 68.44 3.46 Favored Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 121.152 -0.967 . . . . 7.15 109.216 179.934 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.96 -81.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.421 1.414 . . . . 4.35 109.751 179.91 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.4 114.86 19.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.046 -1.034 . . . . 4.63 109.613 -179.878 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.8 -149.53 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.105 -0.997 . . . . 2.85 109.376 -179.94 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 167.58 44.75 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.588 -1.405 . . . . 1.12 109.588 -179.917 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.61 136.06 57.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.113 . . . . 2.11 109.449 179.825 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -93.62 153.42 18.4 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.203 -0.935 . . . . 0.64 109.423 179.873 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.76 -170.64 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.218 -0.926 . . . . 0.49 109.001 179.838 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.61 145.31 24.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 0.47 108.815 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.3 136.01 32.82 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.449 -0.782 . . . . 0.42 109.612 -178.507 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.18 128.5 34.9 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.482 -0.933 . . . . 1.81 108.482 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.84 116.46 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 N-CA-C 109.034 -0.728 . . . . 0.42 109.034 -179.721 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.68 152.99 39.08 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.408 0.623 . . . . 2.35 109.964 -179.428 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.72 136.45 1.43 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.448 -1.061 . . . . 0.41 110.448 178.937 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.63 -41.42 23.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -1.097 . . . . 2.59 109.041 179.282 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.53 -48.24 81.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.413 -0.805 . . . . 2.54 108.983 179.517 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.494 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 26.2 ttm180 -60.86 -42.67 98.31 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.396 -0.815 . . . . 3.39 109.168 179.573 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.18 -54.82 38.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.569 -0.707 . . . . 0.47 109.512 179.973 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.11 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.321 -0.862 . . . . 1.66 109.822 -179.861 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.77 -49.98 74.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.346 -0.846 . . . . 0.61 110.113 -179.079 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.81 -45.73 93.28 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.192 -0.942 . . . . 0.33 109.015 179.99 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.78 -40.66 55.67 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.377 -0.827 . . . . 3.28 109.485 179.626 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.95 -49.81 76.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.87 . . . . 1.78 109.882 -179.603 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.83 -33.98 72.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 0.38 108.809 179.84 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.43 -57.6 12.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.547 -0.72 . . . . 1.2 109.285 179.276 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.36 -35.03 79.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.474 -0.766 . . . . 2.12 110.006 -179.868 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.58 33.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.26 109.998 -179.236 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.75 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.207 -0.933 . . . . 0.4 109.357 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.78 -33.44 70.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 2.09 109.098 179.741 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' D' ' 350' ' ' LEU . 2.3 tt -65.53 -52.18 54.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.341 -0.849 . . . . 0.75 109.237 -179.921 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.02 -42.3 99.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.475 -0.765 . . . . 2.19 109.021 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 35.5 m-20 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.589 -0.694 . . . . 1.34 109.556 179.837 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.17 77.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.72 109.436 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -81.77 -2.79 52.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.319 -0.863 . . . . 1.8 109.515 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -89.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 1.39 109.392 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.64 83.56 0.9 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.567 -1.413 . . . . 1.66 109.567 -179.974 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -87.06 143.27 27.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.288 -1.124 . . . . 4.45 109.674 -179.943 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.83 110.14 1.3 Allowed Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 6.19 109.495 -179.628 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -61.4 172.4 3.44 Favored 'Trans proline' 0 N--CA 1.479 0.653 0 C-N-CA 120.751 0.968 . . . . 5.58 109.788 -179.918 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 109.486 -1.446 . . . . 6.9 109.486 179.901 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' D' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.495 -0.557 . . . . 7.36 109.495 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' D' ' 319' ' ' LYS . 34.5 mttp 60.4 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.542 -0.724 . . . . 7.15 109.722 -179.781 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' D' ' 321' ' ' LYS . 4.3 mptp? 49.84 68.5 3.4 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 121.223 -0.923 . . . . 6.5 109.286 -179.973 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.03 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 121.519 1.479 . . . . 4.5 109.678 -179.817 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.55 114.79 19.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.944 -1.098 . . . . 4.32 109.587 -179.844 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.69 -149.68 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.217 -0.927 . . . . 2.46 109.389 -179.887 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 167.53 44.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.674 -1.37 . . . . 0.97 109.674 179.996 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.72 136.08 57.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.279 -1.13 . . . . 1.67 109.445 179.89 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.57 153.25 18.52 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.61 109.475 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -135.63 -170.59 2.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.307 -0.871 . . . . 0.56 108.994 179.848 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.4 p -152.65 145.4 24.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 0.43 108.83 179.745 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.43 135.89 32.5 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.408 -0.807 . . . . 0.35 109.676 -178.449 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.0 128.59 34.89 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.575 -0.898 . . . . 1.37 108.575 179.098 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.93 116.45 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 109.041 -0.726 . . . . 0.48 109.041 -179.723 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -74.62 152.99 39.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.721 -0.612 . . . . 2.08 110.074 -179.486 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.69 136.39 1.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.568 -1.013 . . . . 0.4 110.568 179.014 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -80.64 -41.59 23.6 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -1.118 . . . . 2.64 108.912 179.417 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -58.29 -48.51 80.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.403 -0.811 . . . . 2.22 108.926 179.451 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.42 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.2 ttm180 -60.85 -42.64 98.22 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.418 -0.801 . . . . 2.74 109.161 179.747 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.11 -54.87 37.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.535 -0.728 . . . . 0.43 109.507 179.895 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.05 -43.27 63.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 1.69 109.865 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.65 -50.06 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.238 -0.914 . . . . 0.43 110.141 -179.075 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.8 -45.77 93.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.27 108.93 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.71 -40.71 54.82 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.389 -0.819 . . . . 2.45 109.492 179.577 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.03 -49.6 77.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.344 -0.847 . . . . 1.75 109.915 -179.545 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.95 -33.94 72.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.185 -0.947 . . . . 0.31 108.763 179.854 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.44 -57.5 12.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.417 -0.802 . . . . 1.22 109.287 179.242 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.58 -34.99 79.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.493 -0.754 . . . . 1.73 109.923 -179.733 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -55.59 33.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 0.28 110.039 -179.234 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.75 -43.48 98.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.31 109.35 -179.729 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.74 -33.46 70.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.278 -0.889 . . . . 1.91 109.065 179.785 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' C' ' 350' ' ' LEU . 2.3 tt -65.56 -52.11 54.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.43 109.202 -179.928 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.362 -0.836 . . . . 1.57 109.053 179.826 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 35.6 m-20 -56.93 -35.65 69.3 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.59 -0.694 . . . . 1.44 109.583 179.827 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -35.23 77.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.64 109.382 -179.84 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -81.76 -2.76 51.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 1.21 109.62 179.903 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.51 -89.54 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.128 -0.982 . . . . 1.22 109.495 -179.935 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.84 83.66 0.92 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.53 -1.428 . . . . 1.5 109.53 179.912 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -87.01 143.32 27.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.254 -1.145 . . . . 4.18 109.665 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -47.81 110.07 1.28 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 5.67 109.516 -179.698 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -61.32 172.44 3.32 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 120.84 1.027 . . . . 5.65 109.718 -179.969 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.51 -1.436 . . . . 7.27 109.51 179.898 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.472 -0.566 . . . . 7.33 109.472 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 55.78 96.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 7.21 109.565 179.946 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 323' ' ' LEU . 93.6 mttt 52.82 77.92 0.42 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.299 -0.876 . . . . 6.47 109.61 179.748 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.95 3.55 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 121.254 1.303 . . . . 4.53 110.005 -179.583 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.1 mt -82.5 32.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 4.35 109.185 179.649 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -77.7 -130.01 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.651 -0.656 . . . . 2.48 110.07 -179.348 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.57 154.97 53.0 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.96 -1.256 . . . . 0.98 109.96 -179.455 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.36 136.89 58.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.437 -1.037 . . . . 1.7 109.539 -179.95 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -95.55 144.69 25.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.61 109.821 -179.772 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.462 ' N ' ' OE1' ' C' ' 331' ' ' GLN . 78.4 m-85 -132.96 -172.47 2.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.451 -0.781 . . . . 0.58 109.18 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.99 151.2 31.74 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.554 -0.906 . . . . 0.42 108.554 -179.957 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.97 134.11 25.83 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.357 -0.84 . . . . 0.36 109.776 -178.515 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.835 -0.802 . . . . 1.37 108.835 179.549 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.69 111.48 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 109.032 -0.729 . . . . 0.47 109.032 -179.729 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.44 151.01 38.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.787 . . . . 2.1 109.889 -179.75 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 133.25 5.09 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.055 -1.218 . . . . 0.42 110.055 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.546 HH11 ' HG2' ' A' ' 335' ' ' ARG . 2.5 ttt-85 -79.57 -45.42 19.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -1.079 . . . . 2.68 109.038 179.683 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.12 -46.22 85.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 2.22 109.424 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.454 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -63.13 -42.24 99.48 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.277 -0.89 . . . . 2.77 109.415 179.956 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -53.83 -55.35 27.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.699 -0.626 . . . . 0.43 109.808 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.5 -39.17 60.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.873 . . . . 1.66 109.731 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.37 -52.24 62.51 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.266 -0.896 . . . . 0.44 110.603 -179.408 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.83 -48.09 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.29 109.172 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.59 -41.27 61.07 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.889 . . . . 2.44 109.683 179.774 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -58.84 -49.28 78.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.202 -0.936 . . . . 1.74 109.954 -179.543 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.22 -37.21 79.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 0.3 108.768 179.74 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.78 11.52 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.559 -0.713 . . . . 1.22 109.72 179.736 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.16 -33.53 75.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.403 -0.811 . . . . 1.72 109.904 -179.597 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.61 56.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.287 -0.883 . . . . 0.27 110.127 -179.497 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.36 -41.67 97.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.138 -0.976 . . . . 0.29 109.483 -179.826 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.58 -35.48 72.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 1.91 109.001 179.684 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -63.81 -49.75 71.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.379 -0.825 . . . . 0.41 108.816 179.658 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.89 -48.6 81.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.363 -0.836 . . . . 1.56 108.961 179.579 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -57.08 -30.57 64.42 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.214 -0.661 . . . . 1.43 109.214 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -31.68 72.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.917 . . . . 0.66 109.426 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.48 -36.24 26.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.292 -0.88 . . . . 1.18 109.362 179.865 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -19.2 61.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.27 -0.894 . . . . 1.23 109.163 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 11.61 60.38 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.306 -1.517 . . . . 1.54 109.306 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -85.1 119.25 25.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -1.125 . . . . 4.18 109.536 -179.736 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.42 151.04 5.76 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.245 -0.91 . . . . 5.71 109.143 -179.967 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.55 133.06 55.87 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 120.899 1.066 . . . . 5.61 109.932 179.387 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.465 -1.454 . . . . 7.24 109.465 179.929 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.286 0.565 . . . . 7.34 109.493 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttm 55.84 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 7.17 109.572 179.976 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' B' ' 323' ' ' LEU . 93.6 mttt 52.73 77.95 0.42 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 6.44 109.614 179.794 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.97 3.5 0.53 Allowed 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.299 1.333 . . . . 4.54 109.991 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.0 mt -82.35 32.49 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 4.32 109.224 179.586 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -77.71 -130.18 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.702 -0.624 . . . . 2.47 110.105 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.21 154.98 52.86 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.973 -1.251 . . . . 0.95 109.973 -179.505 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.45 136.92 58.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -1.093 . . . . 1.61 109.507 179.954 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.47 144.75 25.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.57 109.839 -179.827 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.439 ' N ' ' OE1' ' D' ' 331' ' ' GLN . 78.4 m-85 -133.01 -172.57 2.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.467 -0.77 . . . . 0.53 109.161 179.842 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.9 151.35 32.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.197 -0.94 . . . . 0.38 108.602 179.921 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -143.03 134.15 25.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.36 109.838 -178.569 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -85.87 126.35 34.0 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.89 -0.781 . . . . 1.36 108.89 179.571 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.69 111.55 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.418 -0.802 . . . . 0.49 109.0 -179.632 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.52 151.0 38.02 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 2.1 109.848 -179.697 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.89 133.41 5.15 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.967 -1.253 . . . . 0.44 109.967 179.531 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.548 HH11 ' HG2' ' B' ' 335' ' ' ARG . 2.5 ttt-85 -79.53 -45.44 19.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.355 -1.085 . . . . 2.72 109.1 179.584 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.19 -46.24 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 2.21 109.436 -179.997 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -63.17 -42.15 99.34 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.245 -0.91 . . . . 2.79 109.388 179.938 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.528 -0.733 . . . . 0.45 109.771 -179.696 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -39.08 60.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.68 109.765 -179.854 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.5 -52.19 62.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.286 -0.884 . . . . 0.43 110.573 -179.344 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.92 -48.03 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.069 -1.019 . . . . 0.28 109.136 -179.615 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.63 -41.2 61.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.307 -0.87 . . . . 2.52 109.704 179.818 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.86 -49.33 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 1.75 109.907 -179.569 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.18 79.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.076 -1.015 . . . . 0.31 108.749 179.756 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.85 11.22 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.638 -0.664 . . . . 1.21 109.735 179.711 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.08 -33.6 75.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 1.69 109.914 -179.624 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -53.69 55.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.213 -0.929 . . . . 0.27 110.084 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.34 -41.73 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.3 109.436 -179.787 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.52 -35.58 72.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 1.93 108.988 179.72 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -63.76 -49.73 71.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.893 -0.78 . . . . 0.4 108.893 179.644 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.99 -48.46 81.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 1.59 108.896 179.673 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 17.1 m-20 -57.16 -30.53 64.55 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.61 -0.682 . . . . 1.43 109.222 179.689 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.65 109.528 -179.924 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -82.59 -36.13 26.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 1.19 109.342 179.912 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -19.18 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -0.86 . . . . 1.22 109.146 179.7 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 11.75 60.27 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.246 -1.542 . . . . 1.53 109.246 179.832 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -85.22 119.16 25.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 4.21 109.561 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -51.45 151.06 5.81 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 5.68 109.11 -179.879 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.56 133.08 55.95 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 120.9 1.066 . . . . 5.57 109.957 179.419 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.455 -1.458 . . . . 7.2 109.455 179.971 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.465 -0.568 . . . . 8.96 109.465 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 55.88 96.1 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.902 . . . . 8.15 109.62 179.978 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' C' ' 323' ' ' LEU . 93.6 mttt 52.79 78.02 0.42 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 7.15 109.626 179.833 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.01 3.5 0.53 Allowed 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.305 1.337 . . . . 4.35 110.014 -179.537 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.0 mt -82.42 32.59 0.4 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 4.63 109.247 179.599 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.77 -130.1 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.691 -0.63 . . . . 2.85 110.025 -179.286 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.33 155.15 52.84 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.879 -1.288 . . . . 1.12 109.879 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.56 136.93 58.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -1.046 . . . . 2.11 109.537 179.944 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.55 144.8 25.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.301 -0.875 . . . . 0.64 109.799 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.408 ' N ' ' OE1' ' A' ' 331' ' ' GLN . 78.5 m-85 -133.08 -172.51 2.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.36 -0.837 . . . . 0.49 109.176 179.863 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.38 32.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.221 -0.925 . . . . 0.47 108.525 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.5 tp -143.05 134.07 25.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.298 -0.876 . . . . 0.42 109.868 -178.559 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -85.83 126.29 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.824 -0.806 . . . . 1.81 108.824 179.61 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.64 111.52 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.463 -0.773 . . . . 0.42 109.059 -179.694 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.51 151.06 38.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.803 . . . . 2.35 109.865 -179.678 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 133.4 5.11 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.974 -1.251 . . . . 0.41 109.974 179.57 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.548 HH11 ' HG2' ' C' ' 335' ' ' ARG . 2.5 ttt-85 -79.64 -45.35 19.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -1.067 . . . . 2.59 109.059 179.695 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.23 -46.22 86.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.355 -0.841 . . . . 2.54 109.43 179.985 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -63.08 -42.23 99.6 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.417 -0.802 . . . . 3.39 109.43 179.866 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.81 -55.42 26.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.604 -0.685 . . . . 0.47 109.757 -179.743 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.45 -39.21 60.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 1.66 109.744 -179.756 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.36 -52.29 62.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.28 -0.888 . . . . 0.61 110.547 -179.312 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.85 -48.08 83.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.993 -1.067 . . . . 0.33 109.152 -179.577 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.68 -41.08 61.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.29 -0.881 . . . . 3.28 109.752 179.809 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.93 -49.3 78.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.241 -0.912 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.09 79.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.38 108.76 179.771 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.24 -57.76 11.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.529 -0.732 . . . . 1.2 109.737 179.745 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.18 -33.56 75.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.412 -0.805 . . . . 2.12 109.907 -179.633 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -53.67 55.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.26 110.165 -179.513 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -41.68 97.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.4 109.412 -179.791 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.57 -35.62 72.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 2.09 108.915 179.721 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -63.7 -49.89 71.33 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.876 -0.787 . . . . 0.75 108.876 179.674 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.78 -48.57 81.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 2.19 108.913 179.655 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.454 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 17.0 m-20 -57.04 -30.67 64.44 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.64 -0.663 . . . . 1.34 109.233 179.703 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -31.63 72.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.72 109.503 -179.887 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.5 -36.35 26.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 1.8 109.31 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.23 61.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 1.39 109.173 179.764 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 11.67 60.37 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.329 -1.509 . . . . 1.66 109.329 179.777 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -85.22 119.2 25.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -1.095 . . . . 4.45 109.561 -179.775 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.37 151.08 5.61 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.847 . . . . 6.19 109.113 -179.886 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.57 133.07 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 120.943 1.095 . . . . 5.58 109.912 179.407 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.563 -1.415 . . . . 6.9 109.563 179.862 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.448 -0.575 . . . . 7.36 109.448 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttm 55.9 96.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 7.15 109.528 179.959 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' D' ' 323' ' ' LEU . 93.6 mttt 52.87 77.91 0.42 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.273 -0.892 . . . . 6.5 109.656 179.779 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.09 3.65 0.53 Allowed 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 121.288 1.325 . . . . 4.5 110.006 -179.505 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.0 mt -82.48 32.56 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.232 -0.917 . . . . 4.32 109.154 179.576 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -77.73 -130.1 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.685 -0.634 . . . . 2.46 110.033 -179.343 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.49 155.01 52.97 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.901 -1.28 . . . . 0.97 109.901 -179.389 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.41 136.93 58.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -1.065 . . . . 1.67 109.447 -179.909 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -95.54 144.79 25.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.906 . . . . 0.61 109.815 -179.824 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.449 ' N ' ' OE1' ' B' ' 331' ' ' GLN . 78.6 m-85 -133.07 -172.56 2.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.483 -0.761 . . . . 0.56 109.144 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.31 31.95 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.43 108.576 179.97 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -142.99 134.19 25.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 0.35 109.761 -178.514 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -85.95 126.29 34.0 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.857 -0.794 . . . . 1.37 108.857 179.561 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.65 111.44 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.437 -0.79 . . . . 0.48 109.026 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -75.39 150.98 38.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 2.08 109.946 -179.765 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 133.36 5.12 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.024 -1.23 . . . . 0.4 110.024 179.587 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.536 HH11 ' HG2' ' D' ' 335' ' ' ARG . 2.5 ttt-85 -79.61 -45.36 19.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.389 -1.065 . . . . 2.64 109.094 179.616 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.23 -46.2 86.34 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.393 -0.817 . . . . 2.22 109.438 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -63.11 -42.26 99.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.297 -0.877 . . . . 2.74 109.38 179.93 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -53.82 -55.41 26.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.604 -0.685 . . . . 0.43 109.809 -179.7 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.44 -39.13 60.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 1.69 109.784 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.38 -52.31 62.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.372 -0.83 . . . . 0.43 110.568 -179.394 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.87 -48.15 83.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.117 -0.989 . . . . 0.27 109.089 -179.528 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.52 -41.18 60.84 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.284 -0.885 . . . . 2.45 109.775 179.775 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.92 -49.25 78.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -0.959 . . . . 1.75 109.934 -179.566 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.26 -37.2 79.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.071 -1.018 . . . . 0.31 108.68 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.551 -0.718 . . . . 1.22 109.775 179.729 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.04 -33.59 75.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.411 -0.806 . . . . 1.73 109.894 -179.655 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.71 55.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.87 . . . . 0.28 110.076 -179.443 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 0.31 109.515 -179.744 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.51 -35.57 72.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.91 109.025 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -63.78 -49.78 71.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.378 -0.827 . . . . 0.43 108.868 179.671 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.89 -48.61 81.04 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.378 -0.826 . . . . 1.57 109.006 179.498 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 17.1 m-20 -57.09 -30.47 64.37 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.666 -0.646 . . . . 1.44 109.287 179.632 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.68 72.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.64 109.511 -179.938 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.48 -36.4 26.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.181 -0.95 . . . . 1.21 109.293 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.05 -19.12 61.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.346 -0.846 . . . . 1.22 109.231 179.758 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 11.71 60.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.254 -1.539 . . . . 1.5 109.254 179.769 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -85.18 119.22 25.32 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -1.116 . . . . 4.18 109.513 -179.761 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.46 151.07 5.83 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 5.67 109.101 -179.892 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.49 133.06 55.86 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 120.962 1.108 . . . . 5.65 109.937 179.39 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.454 -1.458 . . . . 7.27 109.454 179.925 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.33 109.434 . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 54.13 -86.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 7.21 109.717 179.961 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 319' ' ' LYS . 18.0 ttpp 56.35 68.16 2.39 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 6.47 109.732 -179.944 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.83 -148.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.41 1.407 . . . . 4.53 109.69 -179.865 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.86 143.05 39.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.024 -1.048 . . . . 4.35 108.971 179.927 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -78.85 111.53 15.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.242 -0.911 . . . . 2.48 109.896 -179.472 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.09 155.62 53.55 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.966 -1.653 . . . . 0.98 108.966 179.44 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 14.5 mp0 -61.68 121.24 12.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.054 -1.262 . . . . 1.7 109.994 -179.695 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 69.8 m-85 -96.59 151.85 19.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.243 -0.91 . . . . 0.61 109.378 179.505 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.31 4.12 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.58 109.262 179.898 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.26 146.55 26.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.297 -0.877 . . . . 0.42 108.762 -179.801 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.08 132.18 27.98 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.36 109.735 -178.573 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.72 130.64 34.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.358 -0.979 . . . . 1.37 108.358 179.12 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -123.33 113.29 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.412 -0.805 . . . . 0.47 109.331 -179.49 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -74.49 149.52 40.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.531 -0.73 . . . . 2.1 109.311 179.704 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 135.12 4.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.868 -1.293 . . . . 0.42 109.868 179.836 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.77 -46.18 15.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -1.102 . . . . 2.68 109.555 179.861 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.06 -42.83 86.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 2.22 109.513 -179.936 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.06 -42.87 99.64 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.337 -0.852 . . . . 2.77 109.313 179.96 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -55.54 -56.9 14.95 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.585 -0.697 . . . . 0.43 110.039 -179.694 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.6 -37.82 51.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.66 110.083 -179.505 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.7 -50.78 67.83 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.44 110.502 -179.221 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.86 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.091 -1.006 . . . . 0.29 109.189 -179.515 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.6 -43.67 62.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.293 -0.88 . . . . 2.44 109.511 179.669 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.04 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.107 -0.995 . . . . 1.74 109.76 -179.792 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.56 -44.43 97.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.232 -0.917 . . . . 0.3 109.463 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -58.02 -48.2 80.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 1.22 109.247 179.868 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.99 -38.41 88.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.858 . . . . 1.72 109.466 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.91 -52.31 66.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.332 -0.855 . . . . 0.27 109.846 -179.869 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.64 -43.87 98.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.29 109.314 -179.94 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.44 -36.62 76.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 1.91 109.209 179.689 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.509 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.9 tt -64.22 -51.78 62.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.456 -0.778 . . . . 0.41 109.114 179.849 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.62 -42.05 96.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 1.56 109.033 179.832 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -34.78 67.56 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.627 -0.671 . . . . 1.43 109.331 179.778 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.34 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.351 -0.843 . . . . 0.66 109.658 -179.889 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -81.5 -3.77 54.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 1.18 109.637 -179.846 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.38 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 1.23 109.22 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.97 76.83 0.56 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.275 -1.53 . . . . 1.54 109.275 179.671 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.23 130.82 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -1.106 . . . . 4.18 109.569 -179.755 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 360' ' ' GLY . 28.5 mt-10 -51.29 155.15 2.52 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.395 -0.816 . . . . 5.71 109.113 -179.863 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.1 4.99 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 121.169 1.246 . . . . 5.61 110.361 179.345 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.026 -1.43 . . . . 7.24 109.604 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' B' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.402 -0.592 . . . . 7.34 109.402 . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 54.17 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.335 -0.853 . . . . 7.17 109.612 179.934 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 319' ' ' LYS . 18.0 ttpp 56.35 68.23 2.36 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 6.44 109.667 -179.902 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.81 -148.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.465 1.443 . . . . 4.54 109.685 -179.963 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.89 143.11 39.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.021 -1.049 . . . . 4.32 108.974 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.85 111.59 15.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.171 -0.956 . . . . 2.47 109.84 -179.393 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.15 155.63 53.53 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.926 -1.67 . . . . 0.95 108.926 179.451 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' B' ' 326' ' ' GLU . 14.5 mp0 -61.56 121.13 11.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.237 . . . . 1.61 110.007 -179.773 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 69.6 m-85 -96.65 151.9 19.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.19 -0.944 . . . . 0.57 109.357 179.492 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.29 4.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.363 -0.835 . . . . 0.53 109.319 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.244 -0.91 . . . . 0.38 108.725 -179.78 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 51.3 tp -140.22 132.15 27.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.341 -0.849 . . . . 0.36 109.642 -178.541 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.69 130.67 34.67 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 1.36 108.375 179.128 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 113.35 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.419 -0.801 . . . . 0.49 109.309 -179.448 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.7 ttt-85 -74.51 149.62 40.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.736 . . . . 2.1 109.3 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.21 135.12 4.37 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.847 -1.301 . . . . 0.44 109.847 179.818 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.8 -46.1 15.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.304 -1.115 . . . . 2.72 109.573 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -42.9 86.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.21 109.482 -179.977 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.08 -42.8 99.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.251 -0.906 . . . . 2.79 109.359 -179.962 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.6 -56.88 15.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.506 -0.746 . . . . 0.45 109.993 -179.731 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.63 -37.9 52.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 1.68 110.051 -179.482 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.59 -50.87 67.74 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.14 -0.975 . . . . 0.43 110.481 -179.274 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.42 98.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.146 -0.971 . . . . 0.28 109.234 -179.486 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.72 -43.6 62.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.2 -0.937 . . . . 2.52 109.436 179.734 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.09 91.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.189 -0.944 . . . . 1.75 109.737 -179.8 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.5 -44.41 97.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.931 . . . . 0.31 109.509 -179.725 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -58.05 -48.1 81.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.094 -1.004 . . . . 1.21 109.29 179.823 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.98 -38.42 88.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 1.69 109.462 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -52.33 66.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 0.27 109.825 -179.774 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.58 -43.97 97.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.915 . . . . 0.3 109.331 -179.912 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.32 -36.71 76.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.246 -0.908 . . . . 1.93 109.244 179.628 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.511 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.9 tt -64.16 -51.77 62.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.436 -0.79 . . . . 0.4 109.177 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 3.2 ttmp? -60.58 -41.99 95.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.59 109.1 179.797 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -34.75 67.8 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.544 -0.722 . . . . 1.43 109.26 179.795 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.38 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.87 . . . . 0.65 109.668 -179.918 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -81.57 -3.74 54.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 1.19 109.666 -179.803 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.44 -85.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 1.22 109.227 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.0 76.81 0.56 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.336 -1.506 . . . . 1.53 109.336 179.665 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -85.2 130.84 34.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -1.174 . . . . 4.21 109.536 -179.678 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 360' ' ' GLY . 28.6 mt-10 -51.27 155.15 2.5 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.348 -0.845 . . . . 5.68 109.114 -179.897 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.13 4.99 0.14 Allowed 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.134 1.223 . . . . 5.57 110.336 179.369 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 118.008 -1.44 . . . . 7.2 109.594 -179.98 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' C' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.301 0.572 . . . . 8.96 109.469 . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 54.14 -85.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.321 -0.862 . . . . 8.15 109.711 -179.965 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' C' ' 319' ' ' LYS . 18.0 ttpp 56.39 68.17 2.38 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.264 -0.898 . . . . 7.15 109.671 -179.981 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.84 -148.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 121.483 1.456 . . . . 4.35 109.686 -179.887 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.88 143.03 39.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.054 -1.029 . . . . 4.63 109.06 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.77 111.52 14.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.246 -0.909 . . . . 2.85 109.932 -179.389 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.545 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.15 155.7 53.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.86 -1.696 . . . . 1.12 108.86 179.551 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' C' ' 326' ' ' GLU . 14.5 mp0 -61.6 121.16 12.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.119 -1.224 . . . . 2.11 109.943 -179.74 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 69.5 m-85 -96.67 151.91 19.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.227 -0.921 . . . . 0.64 109.339 179.494 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.17 -175.25 4.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.839 . . . . 0.49 109.248 179.928 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.32 146.57 26.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.204 -0.935 . . . . 0.47 108.715 -179.757 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.12 132.1 27.78 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.386 -0.821 . . . . 0.42 109.707 -178.576 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.64 130.73 34.68 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.408 -0.96 . . . . 1.81 108.408 179.033 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.39 113.35 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.529 -0.732 . . . . 0.42 109.307 -179.506 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.7 ttt-85 -74.47 149.53 40.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.57 -0.706 . . . . 2.35 109.377 179.675 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.37 134.98 4.41 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.818 -1.313 . . . . 0.41 109.818 179.766 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -80.69 -46.18 15.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -1.052 . . . . 2.59 109.546 179.921 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.96 -42.88 85.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.862 . . . . 2.54 109.512 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -62.13 -42.81 99.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.278 -0.889 . . . . 3.39 109.291 -179.935 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.56 -56.94 14.44 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.538 -0.726 . . . . 0.47 109.985 -179.692 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.61 -37.81 51.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 1.66 110.024 -179.427 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.65 -50.91 67.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.234 -0.916 . . . . 0.61 110.482 -179.265 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.65 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.117 -0.989 . . . . 0.33 109.312 -179.565 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.73 -43.55 62.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.266 -0.896 . . . . 3.28 109.44 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.78 109.744 -179.807 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.242 -0.912 . . . . 0.38 109.549 -179.741 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.98 -48.23 80.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.069 -1.02 . . . . 1.2 109.227 179.799 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.92 -38.43 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.88 . . . . 2.12 109.482 -179.958 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.0 -52.31 66.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.26 109.763 -179.768 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.58 -43.93 97.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.4 109.386 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.4 -36.62 76.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.907 . . . . 2.09 109.189 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.28 -51.7 62.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.75 109.145 179.878 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.2 ttmp? -60.65 -41.94 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 2.19 109.049 179.807 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -34.77 67.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.34 109.285 179.791 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.43 84.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.878 . . . . 0.72 109.612 -179.897 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -81.53 -3.71 53.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.369 -0.832 . . . . 1.8 109.664 -179.793 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -85.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 1.39 109.233 179.873 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.02 76.73 0.57 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.281 -1.527 . . . . 1.66 109.281 179.682 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.09 130.83 34.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.173 . . . . 4.45 109.564 -179.756 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' C' ' 360' ' ' GLY . 28.5 mt-10 -51.4 155.24 2.61 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 6.19 109.048 -179.845 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.13 4.91 0.15 Allowed 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 121.132 1.221 . . . . 5.58 110.361 179.403 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.427 0 CA-C-O 117.932 -1.482 . . . . 6.9 109.588 -179.986 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' D' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.406 -0.59 . . . . 7.36 109.406 . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 54.12 -85.93 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 7.15 109.721 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' D' ' 319' ' ' LYS . 18.0 ttpp 56.4 68.22 2.35 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.162 -0.961 . . . . 6.5 109.636 179.957 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.86 -148.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.549 1.5 . . . . 4.5 109.668 -179.868 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.92 143.03 39.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.059 -1.026 . . . . 4.32 109.016 179.885 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.88 111.64 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 2.46 109.831 -179.359 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.17 155.62 53.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.945 -1.662 . . . . 0.97 108.945 179.485 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' D' ' 326' ' ' GLU . 14.5 mp0 -61.49 121.09 11.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.235 . . . . 1.67 110.051 -179.842 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 69.9 m-85 -96.59 151.79 19.26 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.179 -0.951 . . . . 0.61 109.383 179.499 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.06 -175.25 4.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.287 -0.883 . . . . 0.56 109.325 179.895 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.205 -0.934 . . . . 0.43 108.68 -179.72 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -140.19 132.14 27.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.35 109.652 -178.555 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.68 130.69 34.67 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.349 -0.982 . . . . 1.37 108.349 179.121 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.1 mt -123.37 113.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.493 -0.754 . . . . 0.48 109.372 -179.487 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.45 149.57 40.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.592 -0.692 . . . . 2.08 109.307 179.758 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.27 135.08 4.39 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.833 -1.307 . . . . 0.4 109.833 179.769 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.76 -46.21 15.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.64 109.551 179.912 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.97 -42.9 86.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.843 . . . . 2.22 109.533 179.997 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.11 -42.8 99.59 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.277 -0.889 . . . . 2.74 109.342 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.57 -56.87 15.22 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.605 -0.685 . . . . 0.43 110.016 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.62 -37.83 51.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 1.69 110.062 -179.449 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.3 ttp -63.69 -50.84 67.61 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.17 -0.956 . . . . 0.43 110.47 -179.218 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.36 99.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.007 . . . . 0.27 109.293 -179.596 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.8 -43.63 63.16 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.166 -0.959 . . . . 2.45 109.367 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -46.1 91.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 1.75 109.818 -179.83 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.51 -44.37 97.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.22 -0.925 . . . . 0.31 109.559 -179.745 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -58.08 -48.16 80.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.109 -0.994 . . . . 1.22 109.22 179.838 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.0 -38.42 88.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.73 109.483 -179.959 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.89 -52.42 65.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 0.28 109.727 -179.824 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.54 -43.87 98.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.16 -0.963 . . . . 0.31 109.412 -179.909 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.51 -36.61 76.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 1.91 109.132 179.685 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.29 -51.64 62.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 0.43 109.174 179.891 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.61 -41.99 95.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.57 109.166 179.706 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.68 -34.74 67.69 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.6 -0.688 . . . . 1.44 109.311 179.715 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.36 84.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.369 -0.832 . . . . 0.64 109.666 -179.927 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -81.5 -3.72 53.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 1.21 109.665 -179.877 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.41 -85.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.922 . . . . 1.22 109.256 179.837 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.01 76.82 0.56 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.235 -1.546 . . . . 1.5 109.235 179.691 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.14 130.85 34.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.242 -1.152 . . . . 4.18 109.621 -179.859 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' D' ' 360' ' ' GLY . 28.4 mt-10 -51.35 155.12 2.61 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 5.67 109.032 -179.843 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.02 4.9 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 121.195 1.263 . . . . 5.65 110.367 179.351 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 118.039 -1.423 . . . . 7.27 109.62 -179.896 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.372 -0.603 . . . . 7.33 109.372 . . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.28 -26.4 0.14 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.47 -0.769 . . . . 7.21 110.023 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 319' ' ' LYS . 53.9 mttp 54.02 70.54 1.68 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.075 -1.016 . . . . 6.47 109.578 179.763 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -65.0 9.24 0.17 Allowed 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.595 1.53 . . . . 4.53 110.271 -179.809 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.1 mt -80.87 39.85 0.51 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.14 -0.975 . . . . 4.35 109.332 179.997 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.46 -133.24 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.644 -0.66 . . . . 2.48 109.83 -179.59 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.09 154.43 53.11 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.98 109.879 -179.621 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -59.27 140.75 55.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -1.078 . . . . 1.7 109.511 179.964 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.18 156.04 17.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.903 . . . . 0.61 109.582 179.983 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -137.78 -169.65 2.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.58 109.075 179.972 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.3 p -152.58 148.86 27.84 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.99 -1.069 . . . . 0.42 109.026 -179.995 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.36 132.94 27.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.37 -0.831 . . . . 0.36 109.829 -178.697 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.49 127.63 34.47 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.686 -0.857 . . . . 1.37 108.686 179.248 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.4 mt -123.74 117.79 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 121.528 -0.733 . . . . 0.47 109.248 -179.688 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.25 149.9 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.587 -0.696 . . . . 2.1 110.131 -179.727 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 135.67 5.51 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.445 -1.062 . . . . 0.42 110.445 179.274 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -82.05 -53.16 6.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 2.68 109.225 179.575 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.94 -40.23 83.99 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.165 -0.96 . . . . 2.22 108.678 179.355 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' C' ' 352' ' ' ASP . 4.8 ttt180 -63.2 -43.47 98.08 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.776 -0.824 . . . . 2.77 108.776 179.58 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -53.16 60.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.685 -0.634 . . . . 0.43 109.631 179.764 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.06 -36.29 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.366 -0.834 . . . . 1.66 110.031 -179.502 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.97 -50.17 71.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.141 -0.975 . . . . 0.44 110.314 -179.205 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.99 -44.48 97.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.29 109.289 -179.778 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.941 . . . . 2.44 109.477 179.804 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.52 -45.0 95.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 1.74 109.833 -179.7 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.8 -46.16 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.3 109.224 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.58 -48.65 80.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.173 -0.954 . . . . 1.22 109.345 179.754 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.79 -41.86 99.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 1.72 109.746 -179.843 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.24 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.845 . . . . 0.27 109.808 -179.674 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.41 -43.1 99.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.181 -0.95 . . . . 0.29 109.18 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -34.78 73.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 1.91 109.183 179.53 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.71 -49.09 74.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 0.41 109.608 -179.847 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.27 -40.97 97.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 1.56 108.926 179.819 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' C' ' 337' ' ' ARG . 56.4 m-20 -56.58 -32.19 64.96 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.617 -0.677 . . . . 1.43 109.508 179.761 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.95 60.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.66 109.715 -179.844 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -80.96 -2.13 46.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.18 109.569 -179.893 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.1 -80.82 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.334 -0.854 . . . . 1.23 109.649 -179.906 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.07 11.77 0.28 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.31 -1.116 . . . . 1.54 110.31 -179.565 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' A' ' 355' ' ' ALA . 26.0 tptp -84.82 -90.8 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.993 -1.298 . . . . 4.18 109.129 179.915 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -51.42 151.37 5.47 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 5.71 109.024 -179.961 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -55.41 104.87 0.13 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 120.997 1.131 . . . . 5.61 109.94 179.57 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.936 -1.48 . . . . 7.24 109.481 179.991 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' B' ' 321' ' ' LYS . 33.0 pttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.352 -0.61 . . . . 7.34 109.352 . . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.27 -26.39 0.14 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 7.17 109.999 179.999 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' B' ' 319' ' ' LYS . 53.9 mttp 53.86 70.66 1.64 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 6.44 109.6 179.891 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.05 9.18 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.605 1.537 . . . . 4.54 110.171 -179.794 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.0 mt -80.79 39.88 0.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 4.32 109.399 179.93 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.51 -133.46 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.686 -0.634 . . . . 2.47 109.781 -179.582 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.83 154.29 53.02 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.92 -1.272 . . . . 0.95 109.92 -179.621 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -59.13 140.72 55.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -1.083 . . . . 1.61 109.433 179.91 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.24 156.06 17.05 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.57 109.533 -179.964 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -137.87 -169.8 2.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.408 -0.807 . . . . 0.53 108.974 179.982 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.5 148.9 27.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.098 -1.001 . . . . 0.38 109.041 -179.944 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.44 132.83 26.72 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.359 -0.838 . . . . 0.36 109.789 -178.606 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.45 127.7 34.48 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.723 -0.843 . . . . 1.36 108.723 179.218 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.79 117.84 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.389 -0.819 . . . . 0.49 109.234 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.36 149.88 38.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.647 -0.658 . . . . 2.1 110.12 -179.625 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.04 135.62 5.52 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.43 -1.068 . . . . 0.44 110.43 179.325 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.95 -53.18 6.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.359 -1.083 . . . . 2.72 109.171 179.567 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -59.09 -40.09 84.2 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.076 -1.015 . . . . 2.21 108.704 179.472 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.412 ' NH1' ' OD2' ' D' ' 352' ' ' ASP . 4.9 ttt180 -63.2 -43.48 98.04 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.8 -0.815 . . . . 2.79 108.8 179.491 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.56 -53.25 59.71 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.686 -0.634 . . . . 0.45 109.632 179.725 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.95 -36.29 37.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 1.68 110.142 -179.57 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.01 -50.08 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.187 -0.946 . . . . 0.43 110.364 -179.241 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.01 -44.61 97.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.078 -1.014 . . . . 0.28 109.246 -179.805 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 2.52 109.374 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.35 -45.16 94.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.192 -0.942 . . . . 1.75 109.818 -179.747 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.81 -46.16 90.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.31 109.231 -179.955 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -58.64 -48.48 80.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.21 109.395 179.693 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.88 -41.86 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -0.846 . . . . 1.69 109.718 -179.835 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.25 66.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.27 109.888 -179.74 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.58 -43.07 99.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.3 109.09 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.88 -34.77 73.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.932 . . . . 1.93 109.176 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.74 -49.0 74.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.4 109.574 -179.838 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.38 -40.94 98.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.33 -0.856 . . . . 1.59 108.878 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH1' ' D' ' 337' ' ' ARG . 56.4 m-20 -56.65 -32.08 65.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.711 -0.618 . . . . 1.43 109.526 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -50.91 59.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.268 -0.895 . . . . 0.65 109.682 -179.826 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -80.99 -2.11 46.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 1.19 109.541 -179.888 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -71.04 -80.73 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 1.22 109.744 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.13 11.77 0.29 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.27 -1.132 . . . . 1.53 110.27 -179.62 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' B' ' 355' ' ' ALA . 26.0 tptp -84.84 -90.91 0.09 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.059 -1.259 . . . . 4.21 109.097 179.922 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.43 151.5 5.37 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 5.68 109.006 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -55.44 104.9 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 120.978 1.119 . . . . 5.57 109.926 179.528 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.483 -1.447 . . . . 7.2 109.483 179.925 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' C' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.425 -0.583 . . . . 8.96 109.425 . . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.27 -26.3 0.14 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.759 . . . . 8.15 109.988 -179.972 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' C' ' 319' ' ' LYS . 53.9 mttp 53.84 70.63 1.66 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.072 -1.018 . . . . 7.15 109.639 179.853 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.07 9.34 0.17 Allowed 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.515 1.477 . . . . 4.35 110.256 -179.804 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.2 mt -80.91 39.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.084 -1.01 . . . . 4.63 109.388 179.937 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.56 -133.31 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.664 -0.647 . . . . 2.85 109.823 -179.571 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.0 154.33 53.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.866 -1.294 . . . . 1.12 109.866 -179.598 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -59.14 140.73 55.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.367 -1.078 . . . . 2.11 109.423 179.951 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.23 156.21 16.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.88 . . . . 0.64 109.532 -179.992 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.95 -169.8 2.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.343 -0.848 . . . . 0.49 108.982 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.53 148.84 27.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.47 109.026 -179.997 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.37 132.87 26.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.276 -0.89 . . . . 0.42 109.857 -178.713 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.42 127.61 34.44 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.7 -0.852 . . . . 1.81 108.7 179.268 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.72 117.82 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.491 -0.755 . . . . 0.42 109.215 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.26 149.89 38.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.625 -0.672 . . . . 2.35 110.07 -179.695 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 135.51 5.48 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.436 -1.066 . . . . 0.41 110.436 179.209 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.8 -53.23 6.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.372 -1.075 . . . . 2.59 109.221 179.529 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -59.03 -40.06 83.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.068 -1.02 . . . . 2.54 108.633 179.501 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 352' ' ' ASP . 4.8 ttt180 -63.36 -43.39 97.81 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.73 -0.841 . . . . 3.39 108.73 179.621 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -56.65 -53.17 60.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.747 -0.596 . . . . 0.47 109.631 179.691 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -51.0 -36.28 38.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.889 . . . . 1.66 110.107 -179.56 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.0 -50.18 71.74 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.092 -1.005 . . . . 0.61 110.354 -179.24 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.94 -44.56 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.039 -1.038 . . . . 0.33 109.292 -179.852 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.43 -41.54 60.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.214 -0.929 . . . . 3.28 109.413 179.844 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.41 -45.18 94.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.895 . . . . 1.78 109.802 -179.782 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.69 -46.14 90.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.38 109.299 -179.993 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -58.64 -48.5 80.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.331 -0.855 . . . . 1.2 109.334 179.746 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.96 -41.78 99.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.424 -0.798 . . . . 2.12 109.737 -179.822 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.33 66.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.26 109.845 -179.728 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -43.26 99.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.4 109.127 179.99 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.414 ' HG3' HH22 ' A' ' 337' ' ' ARG . 42.9 mt-10 -59.75 -34.84 73.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 2.09 109.144 179.511 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.71 -49.1 74.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.356 -0.84 . . . . 0.75 109.546 -179.832 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 2.19 108.938 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 352' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 337' ' ' ARG . 56.5 m-20 -56.64 -32.02 64.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.57 -0.706 . . . . 1.34 109.547 179.786 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.23 -50.85 59.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.837 . . . . 0.72 109.712 -179.838 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -80.93 -2.22 46.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.95 . . . . 1.8 109.53 -179.941 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -71.09 -80.71 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.857 . . . . 1.39 109.71 -179.854 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.03 11.68 0.28 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.29 -1.124 . . . . 1.66 110.29 -179.648 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' C' ' 355' ' ' ALA . 26.0 tptp -84.8 -90.85 0.09 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.944 -1.327 . . . . 4.45 109.129 179.95 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -51.42 151.38 5.45 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.936 . . . . 6.19 109.074 -179.977 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -55.36 104.9 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.007 1.138 . . . . 5.58 109.908 179.549 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 118.007 -1.44 . . . . 6.9 109.53 179.915 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' D' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.365 -0.605 . . . . 7.36 109.365 . . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.22 -26.27 0.13 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.483 -0.76 . . . . 7.15 110.069 -179.93 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' D' ' 319' ' ' LYS . 53.9 mttp 53.83 70.64 1.65 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.042 -1.036 . . . . 6.5 109.635 179.812 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.08 9.29 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.084 0 C-N-CA 121.574 1.516 . . . . 4.5 110.149 -179.755 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.2 mt -80.93 39.93 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.195 -0.941 . . . . 4.32 109.305 179.985 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.55 -133.38 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.641 -0.662 . . . . 2.46 109.828 -179.611 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.91 154.36 53.05 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.846 -1.302 . . . . 0.97 109.846 -179.616 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.2 140.75 55.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.38 -1.071 . . . . 1.67 109.455 179.927 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.26 156.14 17.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 0.61 109.583 179.991 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -137.84 -169.61 2.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.56 109.053 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.67 148.66 27.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.034 -1.041 . . . . 0.43 109.026 -179.907 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -141.3 132.87 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.434 -0.791 . . . . 0.35 109.895 -178.738 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.34 127.64 34.42 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.739 -0.838 . . . . 1.37 108.739 179.251 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.69 117.84 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.508 -0.745 . . . . 0.48 109.198 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.32 149.97 38.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 2.08 110.104 -179.753 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 135.69 5.5 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.4 -1.08 . . . . 0.4 110.4 179.204 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.93 -53.23 6.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.418 -1.048 . . . . 2.64 109.235 179.55 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.96 -40.15 83.85 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.157 -0.964 . . . . 2.22 108.657 179.476 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH1' ' OD2' ' B' ' 352' ' ' ASP . 4.8 ttt180 -63.28 -43.43 97.95 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.759 -0.83 . . . . 2.74 108.759 179.604 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -56.65 -53.19 60.57 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.698 -0.626 . . . . 0.43 109.547 179.823 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.03 -36.23 38.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 1.69 110.126 -179.528 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.06 -50.16 71.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.096 -1.002 . . . . 0.43 110.285 -179.223 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.92 -44.56 97.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.27 109.27 -179.801 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -51.4 -41.58 60.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 2.45 109.438 179.826 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.38 -45.18 94.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.909 . . . . 1.75 109.829 -179.77 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.7 -46.13 91.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 0.31 109.309 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.64 -48.57 80.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.22 109.333 179.736 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.85 -41.79 99.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.73 109.726 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.2 66.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.842 . . . . 0.28 109.888 -179.724 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.44 -43.25 99.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.146 -0.971 . . . . 0.31 109.116 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.84 -34.8 73.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 1.91 109.135 179.538 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.67 -49.08 74.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.328 -0.858 . . . . 0.43 109.614 -179.895 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.34 -40.97 98.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 1.57 108.868 179.818 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD2' ' NH1' ' B' ' 337' ' ' ARG . 56.1 m-20 -56.71 -32.04 65.09 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.684 -0.635 . . . . 1.44 109.495 179.874 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.9 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.64 109.729 -179.876 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -80.99 -2.13 46.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 1.21 109.522 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -71.11 -80.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 1.22 109.709 -179.881 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.13 11.71 0.29 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.307 -1.117 . . . . 1.5 110.307 -179.618 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' D' ' 355' ' ' ALA . 26.0 tptp -84.86 -90.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.983 -1.304 . . . . 4.18 109.132 179.993 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.35 151.4 5.29 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.134 -0.979 . . . . 5.67 109.086 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -55.47 104.92 0.14 Allowed 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 121.021 1.147 . . . . 5.65 109.867 179.566 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.027 -1.43 . . . . 7.27 109.605 179.854 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.425 -0.584 . . . . 7.33 109.425 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 321' ' ' LYS . 72.7 mttt 55.09 74.36 0.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.205 -0.935 . . . . 7.21 109.356 -179.921 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 320' ' ' LYS . 39.7 mttp 57.49 152.93 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.881 0 N-CA-C 109.531 -0.544 . . . . 6.47 109.531 179.949 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.9 Cg_endo -57.44 -155.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.047 1.165 . . . . 4.53 109.702 179.43 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 323' ' ' LEU . 11.0 mp -77.84 165.64 23.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.118 -0.989 . . . . 4.35 109.042 179.867 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.8 -155.28 0.13 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.857 . . . . 2.48 109.697 -179.72 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 173.18 35.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.859 -1.296 . . . . 0.98 109.859 -179.863 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.24 140.93 55.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -1.122 . . . . 1.7 109.632 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -94.83 155.42 16.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.212 -0.93 . . . . 0.61 109.894 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -138.57 -174.91 3.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.58 108.985 179.639 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.43 118.25 5.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.42 109.061 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -109.38 136.54 48.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.679 -0.638 . . . . 0.36 109.913 -178.731 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.78 128.78 35.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.384 -0.822 . . . . 1.37 108.906 179.147 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.93 117.13 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.399 -0.813 . . . . 0.47 109.432 -179.671 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.01 155.78 34.63 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.612 -0.68 . . . . 2.1 109.931 179.973 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 144.64 7.08 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.175 -1.17 . . . . 0.42 110.175 179.167 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.6 OUTLIER -81.71 -50.32 9.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.984 . . . . 2.68 109.218 179.662 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.16 -40.56 81.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 2.22 109.229 179.766 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.635 HH11 ' CB ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.24 73.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.462 -0.774 . . . . 2.77 109.588 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -54.46 -58.28 8.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.517 -0.74 . . . . 0.43 109.596 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.49 -41.05 60.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.302 -0.874 . . . . 1.66 109.677 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.22 -51.75 62.17 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.251 -0.906 . . . . 0.44 110.216 -179.295 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.59 -46.59 89.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 0.29 108.954 -179.697 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -49.99 -42.31 48.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.377 -0.827 . . . . 2.44 109.324 179.611 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.09 -44.66 91.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.267 -0.896 . . . . 1.74 109.737 -179.833 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.65 -46.47 89.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.955 . . . . 0.3 109.161 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.43 -50.43 73.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.483 -0.761 . . . . 1.22 109.547 179.914 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.39 -35.8 80.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 1.72 109.621 -179.934 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.41 -55.97 27.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.414 -0.804 . . . . 0.27 110.021 -179.696 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.432 HD13 ' HE ' ' C' ' 337' ' ' ARG . 33.1 mt -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.29 109.307 -179.766 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.89 -38.42 78.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.91 109.111 179.85 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.58 -45.77 91.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.357 -0.839 . . . . 0.41 108.853 179.715 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.91 -52.3 60.48 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.806 0.812 . . . . 1.56 108.861 179.207 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -55.18 -34.78 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.27 -0.641 . . . . 1.43 109.27 179.864 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.47 69.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.66 109.301 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.74 -12.93 55.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 1.18 109.407 179.946 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.01 65.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 1.23 109.716 -179.863 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.79 -2.88 90.37 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.692 -1.363 . . . . 1.54 109.692 -179.818 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.88 113.24 22.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -1.141 . . . . 4.18 109.605 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 360' ' ' GLY . 0.9 OUTLIER -51.11 156.7 1.71 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.302 -0.874 . . . . 5.71 108.696 179.898 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.77 3.01 0.24 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 121.049 1.166 . . . . 5.61 110.139 179.415 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 360' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.455 -1.458 . . . . 7.24 109.455 -179.923 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.405 -0.591 . . . . 7.34 109.405 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 321' ' ' LYS . 72.8 mttt 55.06 74.35 0.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 7.17 109.334 -179.953 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 320' ' ' LYS . 39.7 mttp 57.44 153.0 0.08 OUTLIER Pre-proline 0 N--CA 1.498 1.926 0 N-CA-C 109.533 -0.543 . . . . 6.44 109.533 -179.995 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.9 Cg_endo -57.52 -155.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 121.011 1.14 . . . . 4.54 109.742 179.449 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 323' ' ' LEU . 11.0 mp -77.82 165.54 24.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 4.32 109.033 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.69 -155.33 0.13 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 2.47 109.752 -179.806 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.415 ' H ' ' HD2' ' D' ' 333' ' ' ARG . . . -68.78 173.12 34.95 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.762 -1.335 . . . . 0.95 109.762 -179.829 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -59.3 140.96 55.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -1.121 . . . . 1.61 109.647 -180.0 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.82 155.44 16.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.228 -0.92 . . . . 0.57 109.835 -179.966 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.64 -175.0 3.98 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.83 . . . . 0.53 108.989 179.71 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 36.0 p -152.46 118.24 5.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.162 -0.961 . . . . 0.38 109.073 -179.986 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -109.38 136.5 48.71 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.44 0.638 . . . . 0.36 109.896 -178.707 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.74 128.77 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 1.36 108.896 179.154 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.96 117.2 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 121.47 -0.769 . . . . 0.49 109.414 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -76.04 155.8 34.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.597 -0.689 . . . . 2.1 109.929 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.66 7.07 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.187 -1.165 . . . . 0.44 110.187 179.163 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.6 OUTLIER -81.72 -50.31 9.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -1.019 . . . . 2.72 109.269 179.644 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.15 -40.56 81.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -0.809 . . . . 2.21 109.216 179.763 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.63 ' CB ' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.3 73.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.432 -0.793 . . . . 2.79 109.512 -179.994 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.39 -58.26 8.1 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.428 -0.795 . . . . 0.45 109.577 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.58 -40.94 60.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.254 -0.904 . . . . 1.68 109.749 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.3 -51.62 62.58 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.279 -0.888 . . . . 0.43 110.275 -179.369 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.62 -46.57 89.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.091 -1.006 . . . . 0.28 109.005 -179.731 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -50.01 -42.22 48.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.346 179.606 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.19 -44.52 92.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.75 109.762 -179.849 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.63 -46.49 89.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.31 109.223 179.764 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.51 -50.37 74.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 1.21 109.625 179.859 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.38 -35.87 80.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.69 109.543 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.41 -55.98 27.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.27 109.985 -179.669 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -60.64 -40.0 90.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.3 109.328 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.94 -38.23 78.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.892 . . . . 1.93 109.212 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.83 -45.65 91.63 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.804 -0.813 . . . . 0.4 108.804 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.99 -52.32 60.14 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.853 -0.795 . . . . 1.59 108.853 179.21 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.1 -34.82 64.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.323 -0.621 . . . . 1.43 109.323 179.779 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.52 69.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 0.65 109.293 179.903 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.63 -13.04 55.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.19 109.467 179.957 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -32.08 66.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 1.22 109.806 -179.925 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 -2.9 90.3 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.692 -1.363 . . . . 1.53 109.692 -179.799 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.91 113.16 22.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.251 -1.146 . . . . 4.21 109.565 -179.948 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 360' ' ' GLY . 0.9 OUTLIER -51.03 156.61 1.68 Allowed Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.761 -0.829 . . . . 5.68 108.761 179.86 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.76 3.04 0.24 Allowed 'Trans proline' 0 C--N 1.323 -0.806 0 C-N-CA 121.105 1.203 . . . . 5.57 110.146 179.436 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.978 -1.457 . . . . 7.2 109.481 179.996 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.433 -0.58 . . . . 8.96 109.433 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' C' ' 321' ' ' LYS . 72.7 mttt 55.05 74.37 0.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.23 -0.919 . . . . 8.15 109.364 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' C' ' 320' ' ' LYS . 40.0 mttp 57.46 152.98 0.08 OUTLIER Pre-proline 0 N--CA 1.496 1.864 0 N-CA-C 109.631 -0.507 . . . . 7.15 109.631 -179.973 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.9 Cg_endo -57.46 -155.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 121.111 1.208 . . . . 4.35 109.711 179.469 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.436 HD12 ' N ' ' C' ' 323' ' ' LEU . 11.0 mp -77.72 165.58 24.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.988 . . . . 4.63 109.107 179.73 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.77 -155.25 0.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.404 -0.81 . . . . 2.85 109.704 -179.799 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 173.25 35.2 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.883 -1.287 . . . . 1.12 109.883 -179.857 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -59.36 140.92 55.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -1.094 . . . . 2.11 109.598 -179.914 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.8 155.6 16.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.303 -0.873 . . . . 0.64 109.753 -179.936 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.72 -175.02 3.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.365 -0.834 . . . . 0.49 108.935 179.694 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 36.1 p -152.43 118.28 5.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.47 109.1 179.984 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.41 136.47 48.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.663 -0.648 . . . . 0.42 109.876 -178.648 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.65 128.75 35.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.81 108.902 179.09 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.98 117.1 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.487 -0.758 . . . . 0.42 109.456 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.02 155.81 34.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.579 -0.701 . . . . 2.35 109.945 -179.993 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.72 7.11 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.252 -1.139 . . . . 0.41 110.252 179.214 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.6 OUTLIER -81.8 -50.35 9.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.59 109.168 179.708 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -58.12 -40.52 81.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 2.54 109.227 179.789 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.633 ' CB ' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -50.25 73.41 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.42 -0.8 . . . . 3.39 109.489 -179.964 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -54.43 -58.3 7.99 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.578 -0.701 . . . . 0.47 109.581 -179.962 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.48 -41.04 60.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.313 -0.867 . . . . 1.66 109.753 -179.929 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.221 -0.924 . . . . 0.61 110.236 -179.345 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.48 -46.63 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.11 -0.994 . . . . 0.33 109.021 -179.768 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -50.04 -42.23 49.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.28 109.312 179.654 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.15 -44.62 92.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.78 109.763 -179.861 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.58 -46.61 89.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.149 -0.969 . . . . 0.38 109.138 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.323 -0.861 . . . . 1.2 109.598 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 2.12 109.558 -179.893 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.33 -56.05 27.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 0.26 109.952 -179.661 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.431 HD13 ' HE ' ' A' ' 337' ' ' ARG . 33.1 mt -60.67 -40.0 90.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.938 . . . . 0.4 109.268 -179.667 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.97 -38.29 78.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.925 . . . . 2.09 109.163 179.782 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.85 -45.52 92.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.824 . . . . 0.75 108.783 179.785 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -64.04 -52.34 59.89 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.764 0.793 . . . . 2.19 108.895 179.114 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.13 -34.73 64.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.35 -0.611 . . . . 1.34 109.35 179.758 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.49 69.3 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 0.72 109.372 179.83 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.75 -12.88 55.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 1.8 109.413 179.938 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.04 65.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.357 -0.839 . . . . 1.39 109.75 -179.875 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.79 -2.8 90.31 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.712 -1.355 . . . . 1.66 109.712 -179.874 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.96 113.27 22.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.26 -1.141 . . . . 4.45 109.593 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' C' ' 360' ' ' GLY . 0.9 OUTLIER -51.14 156.68 1.74 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.233 -0.917 . . . . 6.19 108.671 179.96 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.75 3.05 0.23 Allowed 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.038 1.159 . . . . 5.58 110.21 179.352 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.964 -1.465 . . . . 6.9 109.565 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.415 -0.587 . . . . 7.36 109.415 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' D' ' 321' ' ' LYS . 72.7 mttt 54.95 74.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 7.15 109.34 -179.913 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' D' ' 320' ' ' LYS . 39.8 mttp 57.45 153.02 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.906 0 N-CA-C 109.513 -0.551 . . . . 6.5 109.513 179.947 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' D' ' 321' ' ' LYS . 1.9 Cg_endo -57.47 -155.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.031 1.154 . . . . 4.5 109.672 179.438 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.44 ' N ' HD12 ' D' ' 323' ' ' LEU . 11.0 mp -77.81 165.55 24.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 4.32 109.006 179.84 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.84 -155.23 0.13 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.393 -0.817 . . . . 2.46 109.739 -179.805 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 173.19 35.21 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.837 -1.305 . . . . 0.97 109.837 -179.772 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -59.26 140.94 55.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.35 -1.088 . . . . 1.67 109.595 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.91 155.52 16.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.61 109.776 -179.919 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.67 -175.0 3.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.409 -0.807 . . . . 0.56 108.98 179.656 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.42 118.49 5.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.23 -0.919 . . . . 0.43 109.011 179.972 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.58 136.53 48.81 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.41 0.624 . . . . 0.35 109.85 -178.722 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.71 128.68 35.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.375 -0.828 . . . . 1.37 108.874 179.15 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.93 117.11 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.396 -0.815 . . . . 0.48 109.472 -179.749 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.415 ' HD2' ' H ' ' B' ' 325' ' ' GLY . 3.3 ttp180 -75.99 155.66 34.79 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.618 -0.676 . . . . 2.08 109.961 -179.953 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.2 144.63 7.18 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.26 -1.136 . . . . 0.4 110.26 179.196 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.559 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.6 OUTLIER -81.66 -50.42 9.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -1.058 . . . . 2.64 109.227 179.663 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.03 -40.61 81.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 2.22 109.279 179.752 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.628 HH11 ' CB ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -50.16 73.7 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.352 -0.843 . . . . 2.74 109.529 -179.98 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.54 -58.19 8.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.48 -0.762 . . . . 0.43 109.586 -179.97 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.48 -41.06 60.66 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.272 -0.893 . . . . 1.69 109.718 -179.95 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -64.2 -51.75 62.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.173 -0.954 . . . . 0.43 110.315 -179.343 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.61 -46.44 89.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.191 -0.943 . . . . 0.27 109.072 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.11 -42.2 49.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.245 -0.91 . . . . 2.45 109.268 179.555 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.16 -44.57 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 1.75 109.734 -179.824 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.69 -46.47 89.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -0.921 . . . . 0.31 109.148 179.856 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.48 -50.37 73.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.327 -0.858 . . . . 1.22 109.598 179.9 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.47 -35.74 80.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 1.73 109.586 -179.927 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.46 -55.85 29.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.28 110.051 -179.737 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.427 HD13 ' HE ' ' B' ' 337' ' ' ARG . 33.8 mt -60.82 -39.91 90.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 0.31 109.268 -179.705 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.95 -38.38 78.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.178 -0.951 . . . . 1.91 109.165 179.75 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.76 -45.55 92.15 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.788 -0.819 . . . . 0.43 108.788 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -64.08 -52.21 60.35 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.751 0.786 . . . . 1.57 108.898 179.151 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.16 -34.83 64.15 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 109.329 -0.619 . . . . 1.44 109.329 179.742 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.55 69.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 0.64 109.336 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.78 -12.81 55.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.345 -0.847 . . . . 1.21 109.436 179.976 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.08 65.71 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.22 109.664 -179.866 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.78 -2.9 90.38 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.667 -1.373 . . . . 1.5 109.667 -179.79 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.9 113.25 22.53 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -1.119 . . . . 4.18 109.566 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' D' ' 360' ' ' GLY . 0.9 OUTLIER -51.12 156.7 1.72 Allowed Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.746 -0.835 . . . . 5.67 108.746 179.859 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.8 3.04 0.24 Allowed 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.038 1.159 . . . . 5.65 110.167 179.435 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 360' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 118.009 -1.439 . . . . 7.27 109.55 179.961 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.527 -0.546 . . . . 7.33 109.527 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 57.98 11.26 1.39 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.485 -0.759 . . . . 7.21 109.79 -179.978 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 323' ' ' LEU . 99.0 mttt 51.19 81.26 0.26 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.236 -0.915 . . . . 6.47 109.778 179.439 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.5 11.98 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 121.36 1.373 . . . . 4.53 110.039 -179.697 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.7 mt -80.69 37.58 0.42 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.177 -0.952 . . . . 4.35 109.327 179.953 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.74 -148.68 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.657 -0.652 . . . . 2.48 109.788 -179.601 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 149.83 49.96 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.004 -1.238 . . . . 0.98 110.004 -179.615 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.65 134.93 57.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.401 -1.058 . . . . 1.7 109.685 -179.969 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 38.3 m-85 -95.68 158.18 15.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.289 -0.882 . . . . 0.61 109.455 179.674 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -139.62 140.05 36.87 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.425 -0.797 . . . . 0.58 108.961 179.428 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.75 161.33 13.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.42 109.562 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.7 tp -148.55 134.02 18.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 0.36 109.998 -179.411 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.08 131.63 34.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.483 -0.76 . . . . 1.37 109.531 179.588 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.9 mt -124.12 117.02 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 N-CA-C 108.921 -0.77 . . . . 0.47 108.921 179.725 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.45 148.79 38.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -0.845 . . . . 2.1 109.895 -179.841 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.99 139.85 5.41 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.131 -1.188 . . . . 0.42 110.131 179.261 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -84.05 -46.27 12.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -1.051 . . . . 2.68 109.283 179.743 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.01 -38.39 76.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 2.22 109.07 179.813 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.3 tpp180 -61.8 -37.14 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.422 -0.799 . . . . 2.77 109.426 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -56.16 -52.08 65.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.451 -0.781 . . . . 0.43 109.792 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -52.52 -38.3 59.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.241 -0.912 . . . . 1.66 109.794 -179.69 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.66 14.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.186 -0.946 . . . . 0.44 110.238 -179.407 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.04 -44.07 97.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.29 108.574 179.924 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.425 HH11 ' HB3' ' A' ' 342' ' ' ARG . 0.8 OUTLIER -51.49 -42.53 61.74 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.453 -0.78 . . . . 2.44 109.454 179.541 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -60.03 -52.87 63.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.74 109.606 -179.796 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.12 -37.3 79.62 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.256 -0.902 . . . . 0.3 108.579 179.638 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.36 -55.79 30.48 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.461 -0.774 . . . . 1.22 109.42 179.536 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.98 -32.88 74.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 1.72 109.519 179.911 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -51.35 69.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.27 109.605 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.453 HD22 ' NH1' ' C' ' 337' ' ' ARG . 62.7 mt -61.38 -47.68 84.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.29 109.356 179.81 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.7 -35.98 73.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 1.91 109.234 179.823 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.11 -49.02 73.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.387 -0.821 . . . . 0.41 109.333 179.84 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 3.5 ttmp? -62.6 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 1.56 108.984 179.92 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.76 -34.11 67.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.577 -0.702 . . . . 1.43 109.482 179.742 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.6 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.339 -0.85 . . . . 0.66 109.716 -179.827 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.27 -2.97 51.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.18 109.536 -179.857 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.23 55.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.313 -0.867 . . . . 1.23 109.593 179.994 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.68 -1.51 83.51 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.608 -1.397 . . . . 1.54 109.608 -179.947 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.22 148.54 25.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.229 -1.16 . . . . 4.18 109.275 179.987 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -49.55 149.26 4.29 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 5.71 108.962 -179.919 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.72 129.92 37.6 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 120.868 1.045 . . . . 5.61 109.877 179.594 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.998 -1.445 . . . . 7.24 109.592 -179.937 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.407 -0.59 . . . . 7.34 109.407 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 57.99 11.22 1.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 7.17 109.808 179.951 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' B' ' 323' ' ' LEU . 99.0 mttt 51.18 81.2 0.27 Allowed Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 6.44 109.837 179.501 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -66.41 11.95 0.16 Allowed 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 121.4 1.4 . . . . 4.54 110.111 -179.725 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.9 mt -80.71 37.51 0.42 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 4.32 109.408 179.947 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.73 -148.83 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.698 -0.627 . . . . 2.47 109.821 -179.6 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 149.71 50.08 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.967 -1.253 . . . . 0.95 109.967 -179.592 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.51 134.94 57.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.485 -1.009 . . . . 1.61 109.638 179.909 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.9 m-85 -95.69 158.13 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.218 -0.926 . . . . 0.57 109.481 179.64 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.0 36.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.33 -0.856 . . . . 0.53 109.032 179.406 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -97.74 161.43 13.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.269 -0.895 . . . . 0.38 109.523 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.64 134.01 18.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.862 . . . . 0.36 109.893 -179.353 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.49 34.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 1.36 109.493 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 61.5 mt -123.91 116.99 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.942 -0.762 . . . . 0.49 108.942 179.692 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 2.1 109.995 -179.937 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.86 5.47 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.119 -1.192 . . . . 0.44 110.119 179.266 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -84.14 -46.19 12.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -1.046 . . . . 2.72 109.327 179.719 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -58.1 -38.25 76.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 2.21 109.155 179.768 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.467 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.3 tpp180 -61.78 -37.14 83.23 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.379 -0.826 . . . . 2.79 109.526 179.735 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.19 -52.09 65.66 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.778 . . . . 0.45 109.754 -179.957 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.47 -38.38 59.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.285 -0.884 . . . . 1.68 109.76 -179.631 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.53 15.69 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.219 -0.926 . . . . 0.43 110.242 -179.326 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.14 -44.05 97.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 0.28 108.493 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.428 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.8 OUTLIER -51.52 -42.62 61.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.434 -0.791 . . . . 2.52 109.345 179.59 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -60.06 -52.82 63.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -0.917 . . . . 1.75 109.58 -179.717 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.508 -0.923 . . . . 0.31 108.508 179.618 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.26 -55.84 29.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.459 -0.776 . . . . 1.21 109.378 179.573 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.95 -32.89 74.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.381 -0.824 . . . . 1.69 109.524 179.967 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.55 -51.4 69.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.362 -0.836 . . . . 0.27 109.641 -179.901 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.452 HD22 ' NH1' ' D' ' 337' ' ' ARG . 62.6 mt -61.35 -47.76 84.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -0.873 . . . . 0.3 109.331 179.832 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.178 -0.951 . . . . 1.93 109.233 179.835 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.13 -49.12 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.399 -0.813 . . . . 0.4 109.247 179.961 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' A' ' 347' ' ' ALA . 3.5 ttmp? -62.49 -43.41 98.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.411 -0.805 . . . . 1.59 108.964 179.968 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.77 -34.21 67.38 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.597 -0.689 . . . . 1.43 109.346 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.7 82.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.65 109.712 -179.802 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.23 -3.02 51.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 1.19 109.518 -179.87 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -48.27 55.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 1.22 109.576 179.976 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.72 -1.58 83.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.612 -1.395 . . . . 1.53 109.612 -179.859 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.06 148.53 25.68 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -1.172 . . . . 4.21 109.334 179.912 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -49.52 149.22 4.28 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.32 -0.863 . . . . 5.68 108.892 -179.969 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.64 129.92 37.51 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 120.899 1.066 . . . . 5.57 109.809 179.53 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.523 -1.431 . . . . 7.2 109.523 179.938 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.42 -0.585 . . . . 8.96 109.42 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 58.04 11.19 1.39 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.5 -0.75 . . . . 8.15 109.809 179.982 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' C' ' 323' ' ' LEU . 99.0 mttt 51.16 81.26 0.26 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.156 -0.965 . . . . 7.15 109.822 179.507 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.59 12.14 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.891 0 C-N-CA 121.308 1.339 . . . . 4.35 110.046 -179.669 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.8 mt -80.72 37.48 0.42 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.917 . . . . 4.63 109.379 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -77.65 -148.77 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.74 -0.6 . . . . 2.85 109.768 -179.576 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 149.77 50.02 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.942 -1.263 . . . . 1.12 109.942 -179.617 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.61 134.88 57.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.437 -1.037 . . . . 2.11 109.678 179.926 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.5 m-85 -95.71 158.21 15.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.64 109.46 179.666 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.63 140.03 36.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.25 -0.906 . . . . 0.49 109.02 179.402 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 60.9 p -97.68 161.44 13.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.47 109.552 -179.757 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.66 134.05 18.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.42 109.959 -179.43 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.12 131.59 34.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.584 -0.698 . . . . 1.81 109.506 179.584 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.02 117.03 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.957 -0.757 . . . . 0.42 108.957 179.661 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.38 148.83 38.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.506 -0.746 . . . . 2.35 109.971 -179.928 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.97 139.89 5.41 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.147 -1.181 . . . . 0.41 110.147 179.276 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -84.1 -46.17 12.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -1.078 . . . . 2.59 109.343 179.702 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -58.09 -38.27 76.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 2.54 109.083 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.453 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -61.78 -37.18 83.39 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.404 -0.81 . . . . 3.39 109.451 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.08 -52.2 65.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.469 -0.77 . . . . 0.47 109.738 -179.904 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.46 -38.38 59.16 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.335 -0.853 . . . . 1.66 109.745 -179.609 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.28 -56.66 14.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.199 -0.938 . . . . 0.61 110.218 -179.349 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.05 -44.17 97.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.981 -1.074 . . . . 0.33 108.554 179.939 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' C' ' 342' ' ' ARG . 0.8 OUTLIER -51.33 -42.62 61.36 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.548 -0.72 . . . . 3.28 109.514 179.46 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.02 -52.83 63.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 1.78 109.612 -179.776 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.13 -37.35 79.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.38 108.536 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.3 -55.8 30.31 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.459 -0.776 . . . . 1.2 109.383 179.571 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.06 -32.89 74.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 2.12 109.448 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -51.27 70.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.838 . . . . 0.26 109.57 -179.836 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.471 HD22 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.4 -47.67 84.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.4 109.347 179.825 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.7 -35.99 73.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.231 -0.918 . . . . 2.09 109.196 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.09 -49.11 73.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.75 109.283 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.5 ttmp? -62.52 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.433 -0.792 . . . . 2.19 108.963 -179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.78 -34.18 67.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.582 -0.699 . . . . 1.34 109.444 179.794 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.69 83.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -0.869 . . . . 0.72 109.705 -179.869 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.34 -2.85 50.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.198 -0.939 . . . . 1.8 109.573 -179.858 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.24 55.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 1.39 109.576 179.938 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.71 -1.5 83.65 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.577 -1.409 . . . . 1.66 109.577 -179.9 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.12 148.51 25.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -1.186 . . . . 4.45 109.398 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -49.48 149.22 4.21 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 6.19 108.961 -179.94 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -54.68 129.91 37.49 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 120.831 1.02 . . . . 5.58 109.897 179.546 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 118.005 -1.442 . . . . 6.9 109.608 -179.959 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.417 -0.586 . . . . 7.36 109.417 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 58.07 11.18 1.41 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.436 -0.79 . . . . 7.15 109.719 179.984 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.501 ' C ' ' H ' ' D' ' 323' ' ' LEU . 99.0 mttt 51.2 81.16 0.27 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 6.5 109.866 179.506 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -66.43 11.95 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.387 1.391 . . . . 4.5 110.035 -179.673 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.8 mt -80.68 37.55 0.42 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 4.32 109.38 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.73 -148.74 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.597 -0.69 . . . . 2.46 109.842 -179.633 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 149.78 50.03 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.96 -1.256 . . . . 0.97 109.96 -179.601 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.52 134.86 57.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.384 -1.068 . . . . 1.67 109.696 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 38.3 m-85 -95.73 158.16 15.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.182 -0.949 . . . . 0.61 109.433 179.65 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.6 140.1 36.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.56 108.964 179.405 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.1 p -97.76 161.31 13.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.273 -0.892 . . . . 0.43 109.525 -179.771 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.56 134.06 18.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.176 -0.953 . . . . 0.35 109.884 -179.405 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.58 34.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.498 -0.751 . . . . 1.37 109.481 179.555 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.7 mt -123.99 116.99 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.948 -0.76 . . . . 0.48 108.948 179.665 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.456 -0.778 . . . . 2.08 110.002 -179.912 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.05 139.83 5.44 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.105 -1.198 . . . . 0.4 110.105 179.285 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -84.08 -46.21 12.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -1.143 . . . . 2.64 109.303 179.727 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.08 -38.27 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 2.22 109.108 179.797 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.452 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.3 tpp180 -61.86 -37.15 83.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.375 -0.828 . . . . 2.74 109.413 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.09 -52.17 65.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.504 -0.748 . . . . 0.43 109.767 -179.961 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.44 -38.39 59.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.69 109.78 -179.664 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttp -63.24 -56.58 15.42 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.251 -0.906 . . . . 0.43 110.3 -179.376 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -44.03 97.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.007 -1.058 . . . . 0.27 108.534 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -51.42 -42.56 61.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.498 -0.751 . . . . 2.45 109.433 179.491 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.96 -52.96 63.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 1.75 109.59 -179.797 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.08 -37.31 79.53 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.927 . . . . 0.31 108.57 179.647 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.38 -55.78 30.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.495 -0.753 . . . . 1.22 109.391 179.556 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.99 -32.98 74.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.345 -0.847 . . . . 1.73 109.442 179.941 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.5 -51.36 69.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 0.28 109.634 -179.823 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.467 HD22 ' NH1' ' B' ' 337' ' ' ARG . 62.5 mt -61.35 -47.62 85.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.31 109.394 179.778 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -58.76 -36.03 73.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 1.91 109.155 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.03 -49.15 73.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.368 -0.832 . . . . 0.43 109.26 179.893 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.5 ttmp? -62.56 -43.39 98.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.292 -0.88 . . . . 1.57 108.977 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.73 -34.18 67.26 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.63 -0.669 . . . . 1.44 109.458 179.76 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.68 82.83 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.64 109.75 -179.834 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -81.2 -3.05 51.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.85 . . . . 1.21 109.574 -179.896 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.12 56.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.294 -0.879 . . . . 1.22 109.619 -179.953 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.78 -1.5 84.05 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.595 -1.402 . . . . 1.5 109.595 -179.965 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.12 148.48 25.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -1.16 . . . . 4.18 109.338 179.89 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -49.57 149.24 4.34 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.382 -0.824 . . . . 5.67 108.967 -179.906 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.59 129.85 37.11 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 120.921 1.081 . . . . 5.65 109.88 179.563 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.465 -1.454 . . . . 7.27 109.465 179.958 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 321' ' ' LYS . 65.3 mmtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.467 -0.568 . . . . 7.33 109.467 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.82 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.521 -0.737 . . . . 7.21 109.966 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 60.3 69.42 1.18 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.833 . . . . 6.47 109.683 -179.838 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.27 -147.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.08 0 C-N-CA 121.454 1.436 . . . . 4.53 109.673 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.71 126.79 31.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 4.35 109.294 179.965 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -80.33 -127.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 2.48 110.068 -179.515 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 156.62 53.16 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.013 -1.235 . . . . 0.98 110.013 -179.517 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.88 141.4 55.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.456 -1.026 . . . . 1.7 109.493 179.936 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -97.65 149.4 22.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.203 -0.936 . . . . 0.61 110.05 -179.812 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -138.98 138.6 37.43 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.545 -0.909 . . . . 0.58 108.545 179.059 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.9 p -98.03 163.96 12.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.396 -0.815 . . . . 0.42 109.249 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.84 131.36 15.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 0.36 109.859 -179.184 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.18 127.23 34.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 1.37 108.838 179.52 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.33 113.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.458 -0.777 . . . . 0.47 109.659 -179.512 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.423 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.44 32.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 2.1 109.808 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 134.57 3.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.016 -1.234 . . . . 0.42 110.016 179.442 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.94 -48.81 11.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -1.133 . . . . 2.68 109.211 179.66 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.62 -42.43 88.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.357 -0.839 . . . . 2.22 109.154 179.77 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.81 . . . . 2.77 109.257 179.865 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -55.38 -56.48 19.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.559 -0.713 . . . . 0.43 109.541 179.897 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.24 -38.94 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.328 -0.858 . . . . 1.66 109.781 -179.625 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.12 -54.22 41.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 0.44 110.079 -179.454 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.83 -45.76 93.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.29 108.972 -179.986 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.354 -0.841 . . . . 2.44 109.284 179.869 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.21 -51.88 64.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 1.74 109.498 179.754 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.15 -35.93 74.38 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.695 -0.854 . . . . 0.3 108.695 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.47 -56.97 15.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.475 -0.766 . . . . 1.22 109.225 179.453 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.01 -29.48 70.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 1.72 109.716 -179.968 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.5 -55.23 37.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.241 -0.912 . . . . 0.27 109.944 -179.581 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.66 -40.72 93.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.29 109.405 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.72 -36.19 78.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 1.91 109.473 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.24 -52.85 56.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.265 -0.897 . . . . 0.41 109.124 179.994 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.93 -47.32 85.42 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 1.56 109.052 179.689 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -35.66 71.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.484 -0.76 . . . . 1.43 109.054 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.42 72.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.339 -0.851 . . . . 0.66 109.513 -179.989 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -82.0 -4.62 57.13 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.296 -0.877 . . . . 1.18 109.725 -179.825 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.02 -81.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.196 -0.94 . . . . 1.23 110.466 -179.373 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.57 5.21 1.17 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.784 -0.926 . . . . 1.54 110.784 -178.876 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 355' ' ' ALA . 71.6 tttt -87.14 7.38 28.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.844 -1.386 . . . . 4.18 109.332 179.966 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.22 108.4 0.76 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.337 -0.852 . . . . 5.71 109.564 179.862 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.48 145.54 95.56 Favored 'Trans proline' 0 C--O 1.214 -0.7 0 N-CA-C 109.776 -0.894 . . . . 5.61 109.776 -179.676 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 117.976 -1.458 . . . . 7.24 109.591 -179.992 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 321' ' ' LYS . 65.2 mmtt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.51 -0.552 . . . . 7.34 109.51 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.75 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.7 . . . . 7.17 109.988 179.956 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 60.24 69.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.445 -0.784 . . . . 6.44 109.763 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.26 -148.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.514 1.476 . . . . 4.54 109.615 -179.974 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.62 126.93 31.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.045 -1.035 . . . . 4.32 109.247 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.44 -127.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 2.47 109.99 -179.529 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.18 156.54 52.91 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.078 -1.209 . . . . 0.95 110.078 -179.577 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.87 141.38 55.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.417 -1.049 . . . . 1.61 109.473 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -97.72 149.38 22.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.29 -0.881 . . . . 0.57 110.059 -179.791 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.47 37.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.552 -0.907 . . . . 0.53 108.552 179.156 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -97.98 163.82 12.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.316 -0.865 . . . . 0.38 109.295 -179.873 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -148.64 131.47 16.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.36 109.907 -179.249 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.14 127.19 34.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 1.36 108.878 179.471 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.79 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.518 -0.739 . . . . 0.49 109.634 -179.509 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.1 ttt-85 -76.82 155.43 33.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 2.1 109.752 179.717 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.06 134.51 3.11 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.036 -1.225 . . . . 0.44 110.036 179.391 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.63 12.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -1.122 . . . . 2.72 109.247 179.689 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.83 -42.38 89.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 2.21 109.083 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.77 -43.63 97.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.278 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.39 -56.47 19.71 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.527 -0.733 . . . . 0.45 109.522 179.854 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.27 -38.88 28.64 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.323 -0.86 . . . . 1.68 109.834 -179.635 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.1 -54.21 41.45 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.218 -0.926 . . . . 0.43 110.078 -179.455 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.87 -45.82 93.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.119 -0.988 . . . . 0.28 108.903 -179.927 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.53 -40.24 59.27 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.428 -0.795 . . . . 2.52 109.281 179.906 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -63.17 -51.88 64.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.091 -1.006 . . . . 1.75 109.526 179.782 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.05 -35.94 74.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.31 108.674 179.871 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.63 -56.86 16.72 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.52 -0.737 . . . . 1.21 109.2 179.601 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.01 -29.57 70.71 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.333 -0.854 . . . . 1.69 109.633 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.46 -55.28 37.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.907 . . . . 0.27 109.958 -179.524 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.66 -40.61 92.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.242 -0.911 . . . . 0.3 109.457 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.8 -36.25 78.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.226 -0.921 . . . . 1.93 109.418 179.873 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.18 -52.8 57.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.4 109.044 -179.963 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -62.01 -47.39 84.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.389 -0.82 . . . . 1.59 109.025 179.745 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -35.71 71.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.43 109.093 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.49 73.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.307 -0.871 . . . . 0.65 109.539 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -81.93 -4.75 57.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.326 -0.859 . . . . 1.19 109.747 -179.784 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -69.99 -81.82 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.94 . . . . 1.22 110.448 -179.35 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.6 5.24 1.17 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.747 -0.941 . . . . 1.53 110.747 -178.825 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' B' ' 355' ' ' ALA . 71.7 tttt -87.11 7.34 28.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.811 -1.406 . . . . 4.21 109.405 179.932 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.17 108.45 0.77 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.337 -0.852 . . . . 5.68 109.557 179.866 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.47 145.59 95.57 Favored 'Trans proline' 0 C--O 1.215 -0.643 0 N-CA-C 109.748 -0.905 . . . . 5.57 109.748 -179.694 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 117.979 -1.456 . . . . 7.2 109.527 179.968 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' C' ' 321' ' ' LYS . 65.3 mmtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.449 -0.574 . . . . 8.96 109.449 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt 54.86 -82.21 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 8.15 109.958 179.979 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 60.26 69.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 7.15 109.777 -179.794 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.2 -147.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.012 0 C-N-CA 121.503 1.469 . . . . 4.35 109.59 -179.978 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.7 126.89 31.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 4.63 109.266 179.963 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -80.46 -127.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 2.85 109.961 -179.492 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.27 156.5 52.99 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.083 -1.207 . . . . 1.12 110.083 -179.491 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.82 141.47 55.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -1.039 . . . . 2.11 109.475 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.63 149.45 22.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.214 -0.929 . . . . 0.64 110.065 -179.862 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.65 37.32 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.485 -0.931 . . . . 0.49 108.485 179.069 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -98.11 163.83 12.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.285 -0.885 . . . . 0.47 109.28 -179.915 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.72 131.51 16.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.174 -0.954 . . . . 0.42 109.91 -179.292 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.16 127.28 34.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 1.81 108.828 179.525 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.47 113.79 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.55 -0.719 . . . . 0.42 109.584 -179.508 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.1 ttt-85 -76.86 155.5 32.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 2.35 109.735 179.735 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.04 134.49 3.09 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.053 -1.219 . . . . 0.41 110.053 179.441 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.86 -48.81 11.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -1.081 . . . . 2.59 109.201 179.674 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.71 -42.35 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.336 -0.852 . . . . 2.54 109.113 179.806 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.377 -0.827 . . . . 3.39 109.199 179.84 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -55.4 -56.44 20.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.538 -0.726 . . . . 0.47 109.505 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.2 -39.0 28.0 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.229 -0.919 . . . . 1.66 109.804 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.11 -54.24 40.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.245 -0.91 . . . . 0.61 110.079 -179.439 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.66 -45.92 92.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.33 108.923 -179.969 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.5 -40.26 59.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.4 -0.813 . . . . 3.28 109.335 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.13 -51.88 64.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.0 -1.063 . . . . 1.78 109.545 179.694 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.16 -35.91 74.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.38 108.673 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -58.6 -56.87 16.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.458 -0.776 . . . . 1.2 109.214 179.545 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.08 -29.52 70.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -0.784 . . . . 2.12 109.684 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.51 -55.12 39.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.303 -0.873 . . . . 0.26 110.069 -179.618 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.74 -40.56 92.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -0.993 . . . . 0.4 109.446 -179.852 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -60.8 -36.24 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 2.09 109.51 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -64.21 -52.82 56.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.75 109.044 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.98 -47.32 85.36 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.452 -0.78 . . . . 2.19 109.079 179.73 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -35.73 71.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.498 -0.751 . . . . 1.34 109.074 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.35 72.7 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.389 -0.819 . . . . 0.72 109.527 -179.974 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -82.03 -4.64 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 1.8 109.761 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -69.98 -81.81 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 1.39 110.484 -179.399 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.58 5.26 1.16 Allowed Glycine 0 N--CA 1.493 2.498 0 C-N-CA 120.341 -0.933 . . . . 1.66 110.848 -178.914 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' C' ' 355' ' ' ALA . 71.6 tttt -87.12 7.34 28.48 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.828 -1.396 . . . . 4.45 109.388 179.94 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.16 108.39 0.76 Allowed Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.354 -0.841 . . . . 6.19 109.527 179.849 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.49 145.54 95.54 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.782 -0.891 . . . . 5.58 109.782 -179.716 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.013 -1.437 . . . . 6.9 109.603 -179.982 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' D' ' 321' ' ' LYS . 65.2 mmtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.455 -0.572 . . . . 7.36 109.455 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.81 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.538 -0.726 . . . . 7.15 109.964 -179.999 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 60.28 69.4 1.19 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.459 -0.776 . . . . 6.5 109.712 -179.823 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -60.29 -147.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.482 1.455 . . . . 4.5 109.562 -179.991 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.7 126.93 31.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.009 . . . . 4.32 109.217 -179.91 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -80.44 -127.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.356 -0.84 . . . . 2.46 109.993 -179.524 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 156.43 52.98 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.055 -1.218 . . . . 0.97 110.055 -179.534 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.82 141.42 55.36 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -1.016 . . . . 1.67 109.481 179.868 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.69 149.39 22.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.61 110.058 -179.832 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.01 138.53 37.3 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.56 -0.904 . . . . 0.56 108.56 179.11 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -97.92 163.87 12.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.313 -0.867 . . . . 0.43 109.303 -179.909 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -148.74 131.46 15.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.175 -0.953 . . . . 0.35 109.872 -179.315 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.05 127.21 34.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.37 108.902 179.433 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.77 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.519 -0.738 . . . . 0.48 109.593 -179.526 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.406 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.45 32.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 2.08 109.788 179.62 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 134.61 3.14 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.996 -1.242 . . . . 0.4 109.996 179.378 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.71 11.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -1.107 . . . . 2.64 109.242 179.686 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.81 -42.28 88.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.319 -0.863 . . . . 2.22 109.14 179.818 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.358 -0.838 . . . . 2.74 109.253 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.42 -56.45 20.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.49 -0.756 . . . . 0.43 109.507 179.983 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.21 -38.87 27.7 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.34 -0.85 . . . . 1.69 109.867 -179.659 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.24 -54.1 42.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 0.43 110.085 -179.487 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.83 -45.79 93.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.27 108.985 -179.976 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.23 59.32 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.371 -0.83 . . . . 2.45 109.31 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.052 -1.03 . . . . 1.75 109.545 179.728 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.1 -36.0 74.39 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.268 -0.895 . . . . 0.31 108.693 179.831 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -58.47 -56.96 15.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.47 -0.769 . . . . 1.22 109.301 179.449 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.05 -29.48 70.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 1.73 109.765 179.97 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.45 -55.32 36.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.232 -0.917 . . . . 0.28 109.942 -179.629 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.55 -40.77 92.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 0.31 109.395 -179.776 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -60.73 -36.28 78.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.209 -0.932 . . . . 1.91 109.464 179.918 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.09 -52.93 56.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -0.82 . . . . 0.43 109.063 -179.995 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.94 -47.36 85.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.417 -0.802 . . . . 1.57 109.05 179.762 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.96 -35.75 71.59 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.028 -0.73 . . . . 1.44 109.028 179.673 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.43 72.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.318 -0.864 . . . . 0.64 109.512 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -82.07 -4.66 57.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.3 -0.875 . . . . 1.21 109.7 -179.773 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.05 -81.72 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.902 . . . . 1.22 110.498 -179.364 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.6 5.31 1.16 Allowed Glycine 0 N--CA 1.494 2.53 0 C-N-CA 120.271 -0.966 . . . . 1.5 110.857 -178.94 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' D' ' 355' ' ' ALA . 71.6 tttt -87.21 7.38 28.61 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.354 . . . . 4.18 109.336 179.966 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.14 108.37 0.76 Allowed Pre-proline 0 N--CA 1.494 1.773 0 O-C-N 121.255 -0.903 . . . . 5.67 109.569 179.803 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.45 145.56 95.61 Favored 'Trans proline' 0 C--O 1.217 -0.57 0 N-CA-C 109.793 -0.887 . . . . 5.65 109.793 -179.725 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 7.27 109.499 -179.989 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.411 -0.588 . . . . 7.33 109.411 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm 51.91 -168.71 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 7.21 109.312 -179.991 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 323' ' ' LEU . 5.8 ttpm? 56.67 66.62 3.15 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 6.47 110.085 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.94 17.16 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.651 1.567 . . . . 4.53 110.021 179.549 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.5 mt -80.13 32.05 0.27 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 4.35 109.695 -179.561 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.44 162.87 26.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.523 -0.736 . . . . 2.48 109.418 179.999 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.35 52.9 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.776 -1.33 . . . . 0.98 109.776 -179.71 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.8 135.04 57.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.342 -1.093 . . . . 1.7 109.584 -179.909 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -93.95 154.37 17.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.25 -0.906 . . . . 0.61 109.464 179.849 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -141.22 137.12 32.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.357 -0.839 . . . . 0.58 108.978 179.426 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.86 164.76 12.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.436 -0.79 . . . . 0.42 109.313 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.09 131.84 15.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.36 109.602 -179.706 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.43 127.35 33.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.407 -0.808 . . . . 1.37 109.105 179.621 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.95 115.46 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.592 -0.692 . . . . 0.47 109.563 -179.607 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.35 151.05 38.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 2.1 109.977 179.716 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.62 4.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.351 -1.1 . . . . 0.42 110.351 179.172 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.03 -44.76 12.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.416 -1.05 . . . . 2.68 109.22 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.22 -46.11 86.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.153 -0.967 . . . . 2.22 109.083 179.782 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.34 -0.85 . . . . 2.77 109.429 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -54.08 -55.75 24.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.387 -0.821 . . . . 0.43 109.321 179.919 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.52 -36.05 54.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 1.66 109.499 -179.828 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -51.95 63.73 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.338 -0.851 . . . . 0.44 110.056 -179.48 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -41.57 95.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.29 108.978 -179.85 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.7 -43.22 62.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 2.44 109.207 179.603 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' B' ' 351' ' ' LYS . 9.9 tp10 -60.08 -52.05 66.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.351 -0.843 . . . . 1.74 109.614 179.92 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.946 . . . . 0.3 108.855 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.07 -55.92 28.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.392 -0.817 . . . . 1.22 109.433 179.452 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 97.7 mt-10 -63.67 -32.71 74.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.837 . . . . 1.72 110.026 -179.828 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.59 -52.75 64.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.27 109.987 -179.481 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.66 -43.75 98.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.184 -0.947 . . . . 0.29 109.464 -179.878 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.72 -33.56 70.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.91 109.56 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.34 -54.33 30.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.41 109.407 -179.78 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.69 86.82 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.326 -0.859 . . . . 1.56 108.987 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -56.99 -42.14 79.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.694 . . . . 1.43 109.583 179.584 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -22.37 65.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.66 109.758 -179.687 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -83.79 -15.05 49.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 1.18 109.474 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.01 -2.91 22.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 1.23 109.491 179.693 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.19 -3.14 88.27 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.893 -1.283 . . . . 1.54 109.893 -179.651 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -86.76 103.45 15.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -1.219 . . . . 4.18 109.46 179.933 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.7 mt-10 -53.42 -52.06 70.03 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 5.71 109.955 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -61.38 134.49 52.08 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 120.706 0.937 . . . . 5.61 109.938 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 118.02 -1.433 . . . . 7.24 109.544 179.748 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.315 -0.624 . . . . 7.34 109.315 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 51.95 -168.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.289 -0.882 . . . . 7.17 109.303 179.962 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' B' ' 323' ' ' LEU . 5.8 ttpm? 56.66 66.69 3.11 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.438 -0.788 . . . . 6.44 110.066 -179.996 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.88 17.04 0.11 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.609 1.539 . . . . 4.54 110.085 179.513 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.4 mt -80.0 32.07 0.26 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.133 -0.979 . . . . 4.32 109.742 -179.548 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -77.58 162.22 27.26 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.496 -0.753 . . . . 2.47 109.497 179.982 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.22 153.42 52.9 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.751 -1.34 . . . . 0.95 109.751 -179.758 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.06 135.02 57.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.34 -1.094 . . . . 1.61 109.518 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -93.81 154.28 17.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.57 109.592 179.768 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.12 137.11 32.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.348 -0.845 . . . . 0.53 109.002 179.391 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -94.77 164.66 12.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -0.83 . . . . 0.38 109.3 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -150.12 131.91 15.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.217 -0.927 . . . . 0.36 109.589 -179.715 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.45 127.14 33.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 1.36 109.082 179.721 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.82 115.49 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.642 -0.661 . . . . 0.49 109.564 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -75.56 150.92 37.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.43 -0.794 . . . . 2.1 109.893 179.819 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.21 137.73 4.16 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.364 -1.094 . . . . 0.44 110.364 179.261 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.13 -44.67 12.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.527 -0.984 . . . . 2.72 109.258 179.561 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.24 -45.99 86.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 2.21 109.101 179.741 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.53 -41.6 98.98 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.359 -0.838 . . . . 2.79 109.4 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.08 -55.85 23.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 0.45 109.289 179.929 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.41 -36.01 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 1.68 109.613 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.51 -51.93 63.41 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.322 -0.861 . . . . 0.43 110.001 -179.429 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.65 -41.61 95.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.006 . . . . 0.28 108.977 -179.904 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.84 -43.05 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 2.52 109.24 179.681 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 9.9 tp10 -60.0 -52.18 66.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 1.75 109.576 179.887 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.17 -39.54 86.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.31 108.887 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.08 -55.88 29.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.404 -0.81 . . . . 1.21 109.43 179.455 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.68 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 1.69 109.991 -179.809 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.53 -52.79 63.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 0.27 110.037 -179.539 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.59 -43.8 98.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.3 109.498 -179.92 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -33.54 70.35 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.292 -0.88 . . . . 1.93 109.595 -179.997 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' A' ' 350' ' ' LEU . 2.6 tt -65.33 -54.28 31.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.27 -0.893 . . . . 0.4 109.431 -179.857 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.47 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 31.5 ttmt -60.97 -38.78 87.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.329 -0.857 . . . . 1.59 108.994 179.812 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.99 -41.96 79.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.461 -0.775 . . . . 1.43 109.568 179.655 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -22.44 65.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.845 . . . . 0.65 109.744 -179.712 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -83.8 -15.0 50.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 1.19 109.439 179.945 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.05 -2.86 22.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -0.932 . . . . 1.22 109.485 179.746 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.29 -3.09 88.38 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.86 -1.296 . . . . 1.53 109.86 -179.593 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -86.75 103.5 15.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.166 -1.196 . . . . 4.21 109.395 179.968 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.7 mt-10 -53.51 -52.06 70.3 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.154 -0.966 . . . . 5.68 109.914 179.569 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -61.36 134.46 51.96 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 120.694 0.929 . . . . 5.57 109.95 -179.75 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.585 -1.406 . . . . 7.2 109.585 179.731 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.461 -0.57 . . . . 8.96 109.461 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 52.04 -168.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.23 -0.919 . . . . 8.15 109.281 -179.999 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' C' ' 323' ' ' LEU . 5.8 ttpm? 56.64 66.63 3.16 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.469 -0.77 . . . . 7.15 110.109 179.984 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.81 17.09 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 121.696 1.598 . . . . 4.35 110.094 179.499 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.6 mt -80.13 32.14 0.27 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 4.63 109.664 -179.515 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.5 162.66 26.98 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.504 -0.748 . . . . 2.85 109.441 179.969 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.87 153.36 52.9 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.798 -1.321 . . . . 1.12 109.798 -179.747 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.91 134.97 57.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -1.077 . . . . 2.11 109.653 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -93.73 154.26 17.88 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.235 -0.915 . . . . 0.64 109.597 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -141.17 137.14 32.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.341 -0.849 . . . . 0.49 109.013 179.352 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -94.77 164.67 12.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.809 . . . . 0.47 109.297 -179.893 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.08 131.91 15.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 0.42 109.627 -179.775 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -84.45 127.2 33.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 1.81 109.068 179.702 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.93 115.39 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.581 -0.699 . . . . 0.42 109.564 -179.631 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -75.4 151.02 38.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.529 -0.732 . . . . 2.35 109.953 179.798 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 137.58 4.05 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.436 -1.066 . . . . 0.41 110.436 179.307 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -85.05 -44.68 12.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.357 -1.084 . . . . 2.59 109.262 179.508 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.2 -46.12 86.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.06 -1.025 . . . . 2.54 109.084 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.52 -41.49 98.89 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.39 109.443 179.875 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.07 -55.81 23.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.487 -0.758 . . . . 0.47 109.348 179.805 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.51 -36.01 54.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 1.66 109.594 -179.873 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.36 -52.0 63.59 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.341 -0.85 . . . . 0.61 110.065 -179.508 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.6 -41.61 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.173 -0.954 . . . . 0.33 109.083 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.71 -43.22 62.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.893 . . . . 3.28 109.256 179.627 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.496 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 9.9 tp10 -59.89 -52.15 66.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 1.78 109.607 179.86 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.2 -39.56 86.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.166 -0.959 . . . . 0.38 108.869 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.14 -55.79 30.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.434 -0.791 . . . . 1.2 109.423 179.484 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.71 -32.69 74.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 2.12 109.991 -179.835 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.54 -52.84 63.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.26 110.006 -179.578 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.61 -43.81 98.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.4 109.491 -179.856 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.76 -33.52 70.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 2.09 109.549 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' D' ' 350' ' ' LEU . 2.6 tt -65.36 -54.25 31.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 0.75 109.383 -179.808 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.447 ' HZ1' ' HB2' ' D' ' 346' ' ' GLU . 31.7 ttmt -61.05 -38.67 87.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.389 -0.819 . . . . 2.19 108.994 179.888 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.06 -41.91 79.59 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 1.34 109.554 179.656 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.67 65.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.72 109.632 -179.71 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -83.7 -15.0 50.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.8 109.483 179.972 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.0 -2.92 23.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 1.39 109.526 179.644 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.28 -3.04 88.34 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.868 -1.293 . . . . 1.66 109.868 -179.602 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -86.79 103.42 15.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -1.19 . . . . 4.45 109.425 179.951 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.7 mt-10 -53.43 -51.99 70.71 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.253 -0.905 . . . . 6.19 110.009 179.567 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.2 Cg_endo -61.38 134.49 52.07 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.706 0.937 . . . . 5.58 109.976 -179.82 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 118.012 -1.438 . . . . 6.9 109.541 179.76 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.429 -0.582 . . . . 7.36 109.429 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 51.98 -168.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 7.15 109.284 -179.983 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' D' ' 323' ' ' LEU . 5.8 ttpm? 56.72 66.54 3.19 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.507 -0.746 . . . . 6.5 110.122 -179.984 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.81 17.06 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 121.723 1.615 . . . . 4.5 110.064 179.526 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.4 mt -80.08 32.08 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.202 -0.936 . . . . 4.32 109.678 -179.557 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -77.46 162.69 26.99 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.517 -0.74 . . . . 2.46 109.507 179.903 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.93 153.45 52.92 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.763 -1.335 . . . . 0.97 109.763 -179.671 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -58.83 135.01 57.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -1.063 . . . . 1.67 109.619 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.86 154.39 17.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.61 109.492 179.812 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.25 137.07 32.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.325 -0.859 . . . . 0.56 109.074 179.365 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.8 164.74 12.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.412 -0.805 . . . . 0.43 109.26 -179.93 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -150.21 131.84 14.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.35 109.587 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.4 127.32 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 1.37 109.125 179.652 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.0 115.52 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.558 -0.714 . . . . 0.48 109.535 -179.612 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.45 151.02 38.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.486 -0.758 . . . . 2.08 109.921 179.755 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.61 4.04 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.406 -1.077 . . . . 0.4 110.406 179.253 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.11 -44.54 12.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -1.019 . . . . 2.64 109.265 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.39 -46.0 87.22 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -0.933 . . . . 2.22 109.067 179.711 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.45 -41.65 98.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.505 -0.747 . . . . 2.74 109.417 179.774 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.03 -55.84 23.57 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.347 -0.846 . . . . 0.43 109.324 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -52.48 -36.01 54.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.69 109.518 -179.863 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.44 -51.97 63.44 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.285 -0.884 . . . . 0.43 110.031 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.27 109.051 -179.912 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.74 -43.15 62.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 2.45 109.247 179.602 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' C' ' 351' ' ' LYS . 9.9 tp10 -60.09 -52.15 66.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.296 -0.878 . . . . 1.75 109.516 179.931 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.05 -39.68 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 0.31 108.864 179.873 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -59.11 -55.84 29.87 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.43 -0.794 . . . . 1.22 109.422 179.566 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.447 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 97.5 mt-10 -63.76 -32.5 74.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.73 110.072 -179.851 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.69 -52.71 64.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.28 109.962 -179.536 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.71 -43.73 98.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -0.921 . . . . 0.31 109.41 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.77 -33.55 70.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.216 -0.928 . . . . 1.91 109.531 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.4 -54.28 31.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 0.43 109.418 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.496 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 31.4 ttmt -60.95 -38.77 87.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.335 -0.853 . . . . 1.57 108.905 179.838 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.97 -42.04 79.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.585 -0.697 . . . . 1.44 109.603 179.641 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.45 65.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.64 109.681 -179.637 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -83.79 -15.03 49.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 1.21 109.397 179.937 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -2.87 22.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 1.22 109.513 179.703 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.24 -3.15 88.33 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.83 -1.308 . . . . 1.5 109.83 -179.588 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -86.84 103.48 15.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.126 -1.22 . . . . 4.18 109.442 -179.998 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.7 mt-10 -53.46 -51.95 71.12 Favored Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 121.174 -0.954 . . . . 5.67 109.964 179.604 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.3 Cg_endo -61.47 134.49 51.73 Favored 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 120.69 0.926 . . . . 5.65 109.922 -179.718 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.92 -1.489 . . . . 7.27 109.519 179.764 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.261 0.553 . . . . 7.33 109.563 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 321' ' ' LYS . 66.4 mttm 53.83 21.08 2.57 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.322 -0.861 . . . . 7.21 109.626 -179.988 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 320' ' ' LYS . 11.9 mptt 58.41 146.96 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 109.544 -0.539 . . . . 6.47 109.544 179.855 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.1 -87.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 120.876 1.051 . . . . 4.53 109.831 179.586 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -82.08 124.63 30.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.062 -1.024 . . . . 4.35 109.531 -179.839 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -80.15 -131.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 2.48 109.39 179.876 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.74 164.08 49.38 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.543 -1.423 . . . . 0.98 109.543 -179.937 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.9 130.52 47.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -1.145 . . . . 1.7 109.414 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -94.87 149.22 21.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.228 -0.92 . . . . 0.61 110.126 -179.669 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.58 135.13 29.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.378 -0.826 . . . . 0.58 108.852 178.918 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.7 p -96.75 162.79 13.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.299 -0.876 . . . . 0.42 109.369 -179.87 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -149.47 131.06 14.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.153 -0.967 . . . . 0.36 109.736 -179.644 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.81 126.42 33.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 1.37 109.023 179.63 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.2 mt -124.08 114.62 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 121.611 -0.681 . . . . 0.47 109.568 -179.626 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.05 154.92 35.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.852 . . . . 2.1 109.737 179.717 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.93 136.42 2.23 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.317 -1.113 . . . . 0.42 110.317 179.221 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.49 -42.99 16.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -1.09 . . . . 2.68 109.24 179.529 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.64 -47.43 84.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 2.22 109.119 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.76 -42.75 98.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.352 -0.842 . . . . 2.77 109.217 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.93 -56.13 23.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.534 -0.729 . . . . 0.43 109.473 179.904 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.79 -37.92 53.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 1.66 109.782 -179.846 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.92 -51.39 67.12 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.886 . . . . 0.44 109.953 -179.545 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.29 108.831 -179.961 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.16 -43.65 61.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.359 -0.838 . . . . 2.44 109.282 179.523 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.73 -51.09 71.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 1.74 109.777 -179.913 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.32 -38.11 85.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.3 108.864 179.726 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.12 50.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.439 -0.788 . . . . 1.22 109.299 179.611 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -62.97 -34.11 76.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.72 109.605 179.993 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -52.74 64.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.27 110.013 -179.562 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.61 -45.51 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 0.29 109.424 -179.821 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.18 73.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 1.91 109.216 179.805 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.74 -47.68 77.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.431 -0.793 . . . . 0.41 109.654 -179.893 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.8 -40.22 96.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 1.56 109.035 179.666 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.09 -37.46 69.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.502 -0.749 . . . . 1.43 109.23 179.656 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.87 82.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.343 -0.848 . . . . 0.66 109.534 179.886 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.79 1.27 31.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 1.18 109.519 -179.864 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.74 -86.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 1.23 109.13 179.891 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.27 96.89 0.64 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.194 -1.562 . . . . 1.54 109.194 179.613 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 357' ' ' LYS . 45.4 pttt -86.11 15.41 5.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -1.175 . . . . 4.18 109.393 -179.818 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -49.32 112.85 2.77 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.915 . . . . 5.71 109.326 -179.889 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.14 166.54 8.84 Favored 'Trans proline' 0 C--O 1.215 -0.654 0 C-N-CA 120.641 0.894 . . . . 5.61 110.276 -179.661 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 117.935 -1.481 . . . . 7.24 109.609 179.81 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 57.9 pttt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.579 -0.526 . . . . 7.34 109.579 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 321' ' ' LYS . 66.2 mttm 53.73 21.07 2.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 7.17 109.667 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 320' ' ' LYS . 11.9 mptt 58.42 146.92 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.782 0 N-CA-C 109.574 -0.528 . . . . 6.44 109.574 179.831 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.02 -87.62 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 120.896 1.064 . . . . 4.54 109.84 179.581 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.88 124.51 29.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.058 -1.026 . . . . 4.32 109.66 -179.937 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.12 -131.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.855 . . . . 2.47 109.427 179.844 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 164.13 48.61 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.576 -1.41 . . . . 0.95 109.576 -179.981 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.99 130.45 47.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -1.133 . . . . 1.61 109.431 -179.988 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.8 149.21 21.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.241 -0.912 . . . . 0.57 110.207 -179.639 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.6 135.2 29.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.53 108.826 178.912 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -96.79 162.88 13.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.294 -0.879 . . . . 0.38 109.367 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.48 130.96 14.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.177 -0.952 . . . . 0.36 109.808 -179.657 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.73 126.4 33.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 1.36 109.032 179.629 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.97 114.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.555 -0.716 . . . . 0.49 109.637 -179.73 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -75.99 154.98 35.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 2.1 109.763 179.758 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.9 136.45 2.23 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.348 -1.101 . . . . 0.44 110.348 179.278 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -83.44 -43.1 16.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -1.064 . . . . 2.72 109.233 179.437 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.65 -47.35 84.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.184 -0.948 . . . . 2.21 109.135 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.66 98.15 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.38 -0.825 . . . . 2.79 109.216 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.97 -56.15 22.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.464 -0.773 . . . . 0.45 109.403 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.81 -37.94 53.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.32 -0.862 . . . . 1.68 109.787 -179.79 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.82 -51.49 66.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.239 -0.913 . . . . 0.43 109.963 -179.569 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.09 -43.43 98.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.149 -0.969 . . . . 0.28 108.891 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.25 -43.55 61.54 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.361 -0.837 . . . . 2.52 109.295 179.516 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.07 71.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 1.75 109.71 -179.852 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.29 -38.16 85.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.31 108.852 179.768 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.61 -54.04 51.58 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 1.21 109.343 179.6 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.02 -34.06 76.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 1.69 109.672 179.901 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.53 -52.79 64.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.895 . . . . 0.27 109.978 -179.593 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.7 mt -61.58 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.139 -0.976 . . . . 0.3 109.455 -179.803 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.3 -35.27 73.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 1.93 109.141 179.859 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.66 77.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.4 109.614 -179.829 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 1.59 108.962 179.694 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.03 -37.49 69.27 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.591 -0.693 . . . . 1.43 109.185 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.89 82.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.375 -0.828 . . . . 0.65 109.539 179.948 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.72 1.26 30.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.298 -0.876 . . . . 1.19 109.522 -179.921 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.76 -86.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 1.22 109.109 179.913 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.33 96.91 0.65 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.212 -1.555 . . . . 1.53 109.212 179.604 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -86.19 15.57 5.09 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.205 -1.173 . . . . 4.21 109.404 -179.788 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.29 112.89 2.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.856 . . . . 5.68 109.29 -179.972 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.19 166.59 8.84 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 120.607 0.871 . . . . 5.57 110.299 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 118.044 -1.42 . . . . 7.2 109.704 179.906 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 57.7 pttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.583 -0.525 . . . . 8.96 109.583 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 321' ' ' LYS . 66.4 mttm 53.84 21.13 2.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.814 . . . . 8.15 109.572 179.973 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 320' ' ' LYS . 11.9 mptt 58.36 146.99 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.788 0 N-CA-C 109.6 -0.519 . . . . 7.15 109.6 179.864 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.18 -87.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 120.846 1.031 . . . . 4.35 109.797 179.644 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.04 124.64 29.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.084 -1.01 . . . . 4.63 109.575 -179.845 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -80.26 -131.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.907 . . . . 2.85 109.378 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 164.22 48.68 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.579 -1.408 . . . . 1.12 109.579 -179.92 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -59.15 130.46 47.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -1.136 . . . . 2.11 109.373 -179.938 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -94.88 149.23 21.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.206 -0.934 . . . . 0.64 110.158 -179.581 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.58 135.3 29.93 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.767 -0.827 . . . . 0.49 108.767 178.989 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.4 p -96.84 162.93 13.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.374 -0.829 . . . . 0.47 109.387 -179.849 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.61 131.04 14.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.191 -0.943 . . . . 0.42 109.685 -179.623 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.85 126.48 33.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 1.81 108.976 179.623 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.3 mt -124.03 114.66 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.581 -0.7 . . . . 0.42 109.582 -179.645 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.9 35.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.397 -0.814 . . . . 2.35 109.765 179.692 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.98 136.54 2.28 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.334 -1.106 . . . . 0.41 110.334 179.269 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.59 -43.07 16.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -1.095 . . . . 2.59 109.184 179.511 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.6 -47.55 83.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 2.54 109.083 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.64 -42.84 97.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.339 -0.85 . . . . 3.39 109.18 179.807 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.78 -56.2 21.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.47 -0.769 . . . . 0.47 109.481 179.917 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.91 -37.81 53.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.339 -0.85 . . . . 1.66 109.795 -179.793 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.86 -51.48 66.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.264 -0.897 . . . . 0.61 109.928 -179.607 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.51 98.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.33 108.82 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.18 -43.66 61.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.236 -0.915 . . . . 3.28 109.274 179.551 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.77 -51.09 71.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.338 -0.851 . . . . 1.78 109.739 -179.878 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.3 -38.16 85.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 0.38 108.859 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.06 51.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.336 -0.852 . . . . 1.2 109.353 179.582 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.05 -33.95 76.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.358 -0.839 . . . . 2.12 109.658 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.66 -52.68 64.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 0.26 110.015 -179.622 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.61 -45.47 93.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.885 . . . . 0.4 109.479 -179.859 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.23 73.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 2.09 109.186 179.75 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.69 -47.79 77.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.405 -0.809 . . . . 0.75 109.639 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.68 -40.31 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.277 -0.889 . . . . 2.19 109.046 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.1 -37.4 69.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.623 -0.673 . . . . 1.34 109.219 179.716 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.375 -0.828 . . . . 0.72 109.573 179.841 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.81 1.35 30.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 1.8 109.548 -179.885 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.81 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.064 -1.023 . . . . 1.39 109.106 179.913 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.24 96.98 0.64 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.168 -1.573 . . . . 1.66 109.168 179.599 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -86.21 15.55 5.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.333 -1.098 . . . . 4.45 109.428 -179.902 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.31 112.91 2.79 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 6.19 109.278 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.19 166.54 8.93 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 120.686 0.924 . . . . 5.58 110.233 -179.709 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.419 0 CA-C-O 117.967 -1.463 . . . . 6.9 109.65 179.879 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.244 0.545 . . . . 7.36 109.58 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 321' ' ' LYS . 66.3 mttm 53.77 21.11 2.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 7.15 109.62 -179.925 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 320' ' ' LYS . 11.9 mptt 58.39 146.96 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 N-CA-C 109.566 -0.531 . . . . 6.5 109.566 179.821 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.1 -87.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 120.915 1.076 . . . . 4.5 109.867 179.596 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -82.09 124.52 29.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 4.32 109.575 -179.882 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.03 -131.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 2.46 109.465 179.826 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 164.26 48.43 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.577 -1.409 . . . . 0.97 109.577 179.98 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -59.16 130.42 46.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -1.149 . . . . 1.67 109.374 -179.98 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.84 149.32 21.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.168 -0.957 . . . . 0.61 110.094 -179.594 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.67 135.33 29.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.853 . . . . 0.56 108.746 178.933 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.1 p -96.86 162.79 13.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.367 -0.833 . . . . 0.43 109.352 -179.862 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.49 131.09 14.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.35 109.78 -179.721 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.83 126.46 33.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 1.37 108.918 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.4 mt -124.04 114.64 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.522 -0.736 . . . . 0.48 109.655 -179.714 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.87 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.308 -0.87 . . . . 2.08 109.788 179.773 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.87 136.53 2.23 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.353 -1.099 . . . . 0.4 110.353 179.292 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.55 -42.99 16.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -1.059 . . . . 2.64 109.239 179.55 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.59 -47.39 84.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.191 -0.943 . . . . 2.22 109.186 179.752 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.74 98.28 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.389 -0.819 . . . . 2.74 109.163 179.839 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.91 -56.09 23.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.58 -0.7 . . . . 0.43 109.481 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.93 -37.88 54.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.403 -0.81 . . . . 1.69 109.764 -179.776 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.84 -51.38 67.23 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.167 -0.958 . . . . 0.43 109.999 -179.591 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.15 -43.44 98.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.27 108.856 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.21 -43.53 61.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.294 -0.879 . . . . 2.45 109.332 179.515 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.04 71.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.335 -0.853 . . . . 1.75 109.746 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.35 -38.13 85.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.31 108.847 179.781 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.57 -54.1 50.91 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 1.22 109.352 179.575 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.389 -0.82 . . . . 1.73 109.621 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -52.77 64.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.314 -0.867 . . . . 0.28 109.975 -179.582 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.56 -45.48 93.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 0.31 109.506 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.18 -35.33 73.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 1.91 109.182 179.753 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.59 77.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 0.43 109.677 -179.848 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.71 -40.33 96.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.57 109.031 179.598 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.07 -37.48 69.38 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.586 -0.696 . . . . 1.44 109.232 179.722 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 0.64 109.546 179.929 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.81 1.41 30.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.913 . . . . 1.21 109.545 -179.897 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.79 -86.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.111 -0.993 . . . . 1.22 109.155 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.25 96.86 0.64 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.214 -1.555 . . . . 1.5 109.214 179.613 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -86.11 15.57 5.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.226 -1.161 . . . . 4.18 109.478 -179.889 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.28 112.94 2.8 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.874 . . . . 5.67 109.281 -179.969 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.24 166.55 9.02 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 120.719 0.946 . . . . 5.65 110.275 -179.723 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 117.962 -1.466 . . . . 7.27 109.643 179.852 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.416 -0.587 . . . . 7.33 109.416 . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 321' ' ' LYS . 37.7 tttm 73.93 -53.55 0.69 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.679 -0.638 . . . . 7.21 109.513 -179.922 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 323' ' ' LEU . 34.4 mttm 60.53 147.03 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.638 -0.664 . . . . 6.47 109.728 179.846 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -65.08 7.96 0.24 Allowed 'Trans proline' 0 N--CA 1.482 0.848 0 C-N-CA 121.197 1.265 . . . . 4.53 110.635 179.736 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.3 mt -80.67 17.31 1.16 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.854 -1.154 . . . . 4.35 110.091 -179.536 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.64 -140.1 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.345 -0.847 . . . . 2.48 109.52 179.859 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.62 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.77 156.87 53.37 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.681 -1.368 . . . . 0.98 109.681 -179.85 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.68 129.96 44.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -1.121 . . . . 1.7 109.539 -179.981 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.65 156.16 16.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.307 -0.871 . . . . 0.61 110.016 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.83 -169.15 2.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.613 -0.679 . . . . 0.58 109.393 -179.907 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -151.5 148.55 28.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.26 -0.9 . . . . 0.42 109.012 -179.859 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -142.0 135.63 29.48 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.352 -0.843 . . . . 0.36 109.677 -178.956 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.74 131.48 34.32 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.468 -0.938 . . . . 1.37 108.468 178.971 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.62 116.28 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.423 -0.798 . . . . 0.47 109.367 -179.545 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.617 HH21 ' H ' ' C' ' 325' ' ' GLY . 29.6 ttt-85 -75.39 149.59 38.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.5 -0.75 . . . . 2.1 109.899 -179.93 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.85 134.28 2.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.138 -1.185 . . . . 0.42 110.138 179.46 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -81.39 -45.71 15.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.085 . . . . 2.68 109.249 179.549 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.75 -41.18 85.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.145 -0.972 . . . . 2.22 108.926 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -63.53 -40.34 96.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.381 -0.824 . . . . 2.77 109.158 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -55.3 -54.9 37.68 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.505 -0.747 . . . . 0.43 109.698 -179.988 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.11 -37.07 52.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 1.66 109.75 -179.91 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.55 -51.3 67.9 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.202 -0.936 . . . . 0.44 110.161 -179.496 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -44.9 96.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.189 -0.944 . . . . 0.29 109.085 -179.898 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.31 -39.17 56.34 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.272 -0.892 . . . . 2.44 109.329 179.768 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.03 -53.96 50.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.74 109.854 -179.836 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.37 -39.5 87.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.127 -0.983 . . . . 0.3 108.688 179.703 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.99 -55.23 37.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.538 -0.726 . . . . 1.22 109.385 179.629 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.64 -34.33 77.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 1.72 109.652 -179.94 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.79 -50.5 73.71 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.307 -0.871 . . . . 0.27 109.674 -179.79 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.36 -46.18 89.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.223 -0.923 . . . . 0.29 109.314 179.854 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.97 -32.43 69.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.334 -0.854 . . . . 1.91 109.492 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.12 -52.79 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.332 -0.855 . . . . 0.41 109.215 179.943 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 32.1 ttmt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.377 -0.827 . . . . 1.56 109.122 179.873 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.45 68.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.583 -0.698 . . . . 1.43 109.546 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -36.79 82.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.88 . . . . 0.66 109.803 -179.638 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.2 -6.97 59.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.24 -0.912 . . . . 1.18 109.544 -179.851 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 1.23 109.332 179.917 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 -3.26 86.56 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.59 -1.404 . . . . 1.54 109.59 179.971 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.77 -79.2 0.25 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -1.145 . . . . 4.18 109.741 -179.671 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -45.34 108.76 0.81 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.385 -0.822 . . . . 5.71 109.734 -179.635 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.5 155.29 58.98 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 120.637 0.892 . . . . 5.61 110.061 -179.698 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.407 -1.477 . . . . 7.24 109.407 179.908 . . . . . . . . 0 0 . 1 . 077 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.384 -0.599 . . . . 7.34 109.384 . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 321' ' ' LYS . 37.8 tttm 73.96 -53.5 0.69 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.628 -0.67 . . . . 7.17 109.514 -179.925 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' B' ' 323' ' ' LEU . 34.4 mttm 60.48 147.0 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 6.44 109.767 179.811 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -65.08 8.12 0.24 Allowed 'Trans proline' 0 N--CA 1.482 0.85 0 C-N-CA 121.068 1.178 . . . . 4.54 110.641 179.76 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.3 mt -80.8 17.27 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.968 -1.083 . . . . 4.32 110.059 -179.465 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.46 -140.13 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.468 -0.77 . . . . 2.47 109.604 179.796 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.632 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -68.83 156.87 53.43 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.681 -1.368 . . . . 0.95 109.681 -179.913 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.69 129.97 44.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.312 -1.111 . . . . 1.61 109.472 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -94.65 156.22 16.51 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.57 109.935 -179.861 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.83 -169.12 2.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.495 -0.753 . . . . 0.53 109.42 -179.986 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.0 p -151.54 148.54 28.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.142 -0.974 . . . . 0.38 109.001 -179.835 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.03 135.65 29.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -0.865 . . . . 0.36 109.71 -178.965 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.76 131.47 34.31 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.438 -0.949 . . . . 1.36 108.438 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.54 116.19 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.502 -0.749 . . . . 0.49 109.492 -179.62 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.616 HH21 ' H ' ' D' ' 325' ' ' GLY . 29.6 ttt-85 -75.3 149.55 38.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.501 -0.749 . . . . 2.1 109.9 -179.924 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.28 2.97 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.11 -1.196 . . . . 0.44 110.11 179.422 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -81.33 -45.87 15.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -1.058 . . . . 2.72 109.158 179.613 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.77 -41.07 85.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.102 -0.999 . . . . 2.21 108.947 179.677 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -63.65 -40.25 96.4 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.33 -0.856 . . . . 2.79 109.125 179.667 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -55.41 -54.87 38.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.593 -0.692 . . . . 0.45 109.598 -179.885 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.09 -37.11 52.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -0.865 . . . . 1.68 109.723 -179.884 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.46 -51.34 67.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.902 . . . . 0.43 110.2 -179.534 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.32 -44.8 96.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.28 109.116 -179.923 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.36 -39.2 56.61 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.228 -0.92 . . . . 2.52 109.236 179.765 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.1 -54.03 49.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 1.75 109.783 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.28 -39.53 87.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.065 -1.022 . . . . 0.31 108.651 179.737 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.97 -55.28 37.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 1.21 109.398 179.661 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.43 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 43.9 mt-10 -63.63 -34.23 77.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.343 -0.848 . . . . 1.69 109.584 -179.969 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -50.55 73.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.268 -0.895 . . . . 0.27 109.599 -179.735 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.28 -46.26 89.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.3 109.327 179.868 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.75 -32.66 69.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 1.93 109.449 -179.957 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 350' ' ' LEU . 2.7 tt -65.08 -52.8 53.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.4 109.169 -179.945 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.18 89.73 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.328 -0.858 . . . . 1.59 109.15 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.44 68.9 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.534 -0.729 . . . . 1.43 109.481 179.88 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -36.82 82.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.65 109.763 -179.618 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.1 -7.02 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 1.19 109.602 -179.868 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.52 -11.03 60.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 1.22 109.365 179.917 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 -3.37 86.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.586 -1.406 . . . . 1.53 109.586 179.962 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.61 -79.23 0.24 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -1.131 . . . . 4.21 109.786 -179.706 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -45.33 108.75 0.81 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 5.68 109.752 -179.595 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.5 155.18 59.66 Favored 'Trans proline' 0 N--CA 1.479 0.641 0 C-N-CA 120.758 0.972 . . . . 5.57 110.025 -179.682 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.432 -1.467 . . . . 7.2 109.432 179.833 . . . . . . . . 0 0 . 1 . 077 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 78.5 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.347 -0.612 . . . . 8.96 109.347 . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' C' ' 321' ' ' LYS . 37.7 tttm 73.9 -53.5 0.69 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.713 -0.617 . . . . 8.15 109.603 -179.855 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' C' ' 323' ' ' LEU . 34.4 mttm 60.52 146.93 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 7.15 109.759 179.75 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -64.96 7.95 0.24 Allowed 'Trans proline' 0 N--CA 1.483 0.855 0 C-N-CA 121.172 1.248 . . . . 4.35 110.588 179.792 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.2 mt -80.7 17.31 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.947 -1.095 . . . . 4.63 110.099 -179.497 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.5 -140.19 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.426 -0.797 . . . . 2.85 109.559 179.814 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.617 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -68.8 156.92 53.39 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.651 -1.38 . . . . 1.12 109.651 -179.88 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.7 129.95 44.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -1.157 . . . . 2.11 109.524 -179.946 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.59 156.22 16.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.138 -0.976 . . . . 0.64 109.947 -179.869 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.88 -169.07 2.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.565 -0.71 . . . . 0.49 109.399 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.5 p -151.61 148.5 28.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 0.47 108.936 -179.785 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.6 tp -142.0 135.69 29.54 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.344 -0.847 . . . . 0.42 109.705 -179.041 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.81 131.48 34.3 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.436 -0.95 . . . . 1.81 108.436 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.52 116.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.451 -0.781 . . . . 0.42 109.402 -179.587 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.62 HH21 ' H ' ' A' ' 325' ' ' GLY . 29.7 ttt-85 -75.36 149.5 38.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.638 -0.664 . . . . 2.35 109.897 -179.984 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.23 2.96 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.15 -1.18 . . . . 0.41 110.15 179.4 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -81.21 -45.89 15.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -1.096 . . . . 2.59 109.242 179.588 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.72 -41.07 85.54 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.135 -0.978 . . . . 2.54 108.959 179.672 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.69 -40.26 96.37 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 3.39 109.113 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -55.25 -55.01 36.27 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.541 -0.724 . . . . 0.47 109.591 -179.934 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.08 -37.06 52.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 1.66 109.783 -179.855 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.5 -51.42 67.49 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.247 -0.908 . . . . 0.61 110.118 -179.507 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.27 -44.89 96.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.179 -0.951 . . . . 0.33 109.053 -179.821 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.27 -39.26 56.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 3.28 109.298 179.705 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.06 -54.01 50.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.78 109.849 -179.795 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 344' ' ' LEU . 20.2 mt -60.27 -39.54 87.21 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.193 -0.942 . . . . 0.38 108.704 179.67 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.95 -55.24 37.66 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.542 -0.723 . . . . 1.2 109.461 179.568 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.445 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 43.8 mt-10 -63.74 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 2.12 109.611 -179.916 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.88 -50.6 73.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.26 109.635 -179.828 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.34 -46.18 89.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.4 109.354 179.919 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.85 -32.47 69.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.325 -0.86 . . . . 2.09 109.47 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -65.17 -52.77 52.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.75 109.193 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.4 -46.18 89.74 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.318 -0.863 . . . . 2.19 109.173 179.855 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.57 -32.33 68.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.612 -0.68 . . . . 1.34 109.572 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.86 82.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.72 109.751 -179.643 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.13 -7.05 59.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.145 -0.972 . . . . 1.8 109.552 -179.829 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -11.07 60.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.915 . . . . 1.39 109.428 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -3.47 86.65 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.555 -1.418 . . . . 1.66 109.555 179.97 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.62 -79.18 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.246 -1.149 . . . . 4.45 109.828 -179.69 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -45.32 108.75 0.81 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.414 -0.804 . . . . 6.19 109.756 -179.659 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.52 155.19 59.7 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 C-N-CA 120.673 0.916 . . . . 5.58 110.058 -179.715 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.466 -1.454 . . . . 6.9 109.466 179.924 . . . . . . . . 0 0 . 1 . 077 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.358 -0.608 . . . . 7.36 109.358 . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' D' ' 321' ' ' LYS . 37.7 tttm 73.94 -53.52 0.69 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.6 . . . . 7.15 109.581 -179.876 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' D' ' 323' ' ' LEU . 34.3 mttm 60.57 146.97 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.631 -0.668 . . . . 6.5 109.764 179.754 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -65.1 8.04 0.24 Allowed 'Trans proline' 0 N--CA 1.483 0.864 0 C-N-CA 121.191 1.26 . . . . 4.5 110.592 179.752 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.2 mt -80.67 17.2 1.18 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.91 -1.119 . . . . 4.32 110.088 -179.546 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.49 -140.08 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.395 -0.816 . . . . 2.46 109.566 179.87 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.616 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -68.86 157.0 53.45 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.683 -1.367 . . . . 0.97 109.683 -179.898 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.77 129.93 44.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -1.174 . . . . 1.67 109.468 -179.906 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -94.65 156.31 16.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.263 -0.898 . . . . 0.61 109.874 -179.807 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.89 -169.16 2.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.51 -0.744 . . . . 0.56 109.402 -179.932 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 46.6 p -151.52 148.65 28.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.139 -0.975 . . . . 0.43 109.001 -179.909 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.11 135.52 29.17 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.369 -0.832 . . . . 0.35 109.673 -178.942 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.68 131.46 34.33 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.5 -0.926 . . . . 1.37 108.5 178.954 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.52 116.26 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.486 -0.758 . . . . 0.48 109.381 -179.53 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.632 HH21 ' H ' ' B' ' 325' ' ' GLY . 29.7 ttt-85 -75.24 149.45 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.618 -0.676 . . . . 2.08 109.877 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.82 134.23 2.94 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.144 -1.182 . . . . 0.4 110.144 179.365 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.579 HH11 ' CG ' ' D' ' 335' ' ' ARG . 0.3 OUTLIER -81.23 -45.76 15.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.43 -1.041 . . . . 2.64 109.247 179.612 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.83 -41.08 86.03 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 2.22 108.899 179.695 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.6 -40.26 96.48 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.322 -0.861 . . . . 2.74 109.16 179.657 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.37 -54.85 38.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.52 -0.737 . . . . 0.43 109.637 -179.97 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.23 -37.07 54.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.27 -0.894 . . . . 1.69 109.712 -179.816 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.44 -51.39 67.7 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.244 -0.91 . . . . 0.43 110.188 -179.553 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.187 -0.946 . . . . 0.27 109.149 -179.961 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.24 -39.25 56.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.168 -0.958 . . . . 2.45 109.271 179.688 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.13 -53.94 50.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 109.808 -179.724 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.34 -39.53 87.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.157 -0.964 . . . . 0.31 108.646 179.777 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.495 -0.753 . . . . 1.22 109.399 179.626 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.76 -34.16 77.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.41 -0.806 . . . . 1.73 109.586 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.96 -50.52 73.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 0.28 109.598 -179.769 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.33 -46.21 89.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.289 -0.882 . . . . 0.31 109.341 179.879 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.84 -32.5 69.48 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.313 -0.867 . . . . 1.91 109.473 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.02 -52.89 53.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.43 109.234 179.913 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.445 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 32.1 ttmt -62.41 -46.21 89.62 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.355 -0.841 . . . . 1.57 109.097 179.903 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.52 -32.41 68.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.55 -0.719 . . . . 1.44 109.539 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.83 82.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.3 -0.875 . . . . 0.64 109.772 -179.57 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.06 -7.05 59.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 1.21 109.612 -179.928 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.56 -10.98 60.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 1.22 109.37 179.888 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -3.37 86.66 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.574 -1.411 . . . . 1.5 109.574 179.909 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.67 -79.21 0.25 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.304 -1.115 . . . . 4.18 109.741 -179.624 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -45.35 108.75 0.81 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 5.67 109.736 -179.65 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.59 155.28 59.54 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 120.641 0.894 . . . . 5.65 110.053 -179.667 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.953 -1.471 . . . . 7.27 109.496 179.9 . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.201 0.524 . . . . 1.7 109.669 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 44.3 m-85 -94.26 157.02 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.252 -0.905 . . . . 0.60999999999999999 109.368 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -138.8 -170.53 2.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 109.404 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -151.45 146.45 25.94 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.704 -0.85 . . . . 0.41999999999999998 108.704 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.41 135.68 32.3 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.376 -0.827 . . . . 0.35999999999999999 109.699 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.47 34.58 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.495 -0.928 . . . . 1.3700000000000001 108.495 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.2 113.86 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.419 -0.801 . . . . 0.46999999999999997 109.205 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.36 151.46 41.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.655 -0.653 . . . . 2.1000000000000001 109.792 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 137.37 2.89 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.067 -1.213 . . . . 0.41999999999999998 110.067 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -81.88 -45.6 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.368 -1.078 . . . . 2.6800000000000002 109.353 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.37 -43.6 83.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.162 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.12 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.346 -0.846 . . . . 2.77 109.297 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.68 -56.5 18.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.613 -0.679 . . . . 0.42999999999999999 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.97 -39.54 59.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.305 -0.872 . . . . 1.6599999999999999 109.724 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.2 -51.94 64.29 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.301 -0.874 . . . . 0.44 110.349 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.93 -46.02 92.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.28999999999999998 108.944 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.39 -42.29 61.31 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.3 -0.875 . . . . 2.4399999999999999 109.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.4 -44.06 96.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 1.74 109.728 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.19 -46.46 90.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.942 . . . . 0.29999999999999999 109.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -58.19 -49.35 77.37 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.287 -0.883 . . . . 1.22 109.252 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.8 -38.74 91.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 1.72 109.578 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.61 56.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.27000000000000002 109.759 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.72 -43.23 98.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.28999999999999998 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.47 -35.46 74.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.902 . . . . 1.9099999999999999 109.147 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.83 -46.67 84.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.876 . . . . 0.40999999999999998 108.96 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.15 -50.58 67.65 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.738 -0.838 . . . . 1.5600000000000001 108.738 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.41 75.32 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.623 -0.673 . . . . 1.4299999999999999 109.197 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.68 64.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.838 . . . . 0.66000000000000003 109.685 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 1.1799999999999999 109.407 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.256 0.55 . . . . 1.6100000000000001 109.646 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 44.5 m-85 -94.19 157.2 16.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.922 . . . . 0.56999999999999995 109.418 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -138.97 -170.68 2.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.841 . . . . 0.53000000000000003 109.402 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.43 146.47 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.759 -0.83 . . . . 0.38 108.759 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.39 135.7 32.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.351 -0.843 . . . . 0.35999999999999999 109.805 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.36 34.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.523 -0.917 . . . . 1.3600000000000001 108.523 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.09 113.73 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.482 -0.761 . . . . 0.48999999999999999 109.283 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.22 151.39 41.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.634 -0.666 . . . . 2.1000000000000001 109.864 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.09 137.32 2.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.039 -1.224 . . . . 0.44 110.039 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.94 -45.52 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.413 -1.051 . . . . 2.7200000000000002 109.237 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.59 83.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.231 -0.918 . . . . 2.21 109.162 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.335 -0.853 . . . . 2.79 109.287 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.62 -56.49 18.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.531 -0.731 . . . . 0.45000000000000001 109.768 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.91 -39.58 59.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.855 . . . . 1.6799999999999999 109.685 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.22 -51.95 64.17 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.337 -0.852 . . . . 0.42999999999999999 110.317 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.97 -45.95 92.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.28000000000000003 108.948 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.34 -42.31 61.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 2.52 109.302 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.48 -44.02 96.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.235 -0.915 . . . . 1.75 109.657 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.21 -46.48 90.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.208 -0.932 . . . . 0.31 109.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.16 -49.4 77.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.36 -0.838 . . . . 1.21 109.321 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.78 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -53.51 57.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 0.27000000000000002 109.8 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.93 -43.01 99.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.29999999999999999 109.258 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.75 -35.28 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.315 -0.866 . . . . 1.9299999999999999 109.087 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.86 -46.7 83.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 0.40000000000000002 109.025 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.06 -50.61 67.69 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.5900000000000001 108.762 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -37.39 75.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 109.171 -0.678 . . . . 1.4299999999999999 109.171 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 0.65000000000000002 109.667 -179.848 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.203 0.525 . . . . 2.1099999999999999 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 45.2 m-85 -94.26 157.14 16.19 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.279 -0.888 . . . . 0.64000000000000001 109.379 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.88 -170.7 2.92 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.36 -0.837 . . . . 0.48999999999999999 109.39 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -151.46 146.4 25.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 0.46999999999999997 108.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 61.2 tp -140.31 135.77 32.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.412 -0.805 . . . . 0.41999999999999998 109.792 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.52 130.46 34.57 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.534 -0.914 . . . . 1.8100000000000001 108.534 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.17 113.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.471 -0.768 . . . . 0.41999999999999998 109.229 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.29 151.38 41.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.723 -0.611 . . . . 2.3500000000000001 109.83 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.08 137.38 2.95 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.989 -1.244 . . . . 0.40999999999999998 109.989 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.98 -45.52 15.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.397 -1.061 . . . . 2.5899999999999999 109.235 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.42 -43.54 83.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.955 . . . . 2.54 109.156 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -63.28 -41.74 99.03 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.318 -0.864 . . . . 3.3900000000000001 109.304 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.69 -56.45 18.99 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.53 -0.731 . . . . 0.46999999999999997 109.742 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.99 -39.5 59.5 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.347 -0.846 . . . . 1.6599999999999999 109.758 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.25 -52.0 63.92 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.322 -0.861 . . . . 0.60999999999999999 110.297 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.85 -45.97 92.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.33000000000000002 109.02 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.38 -42.33 61.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 109.27 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.47 -43.99 96.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.871 . . . . 1.78 109.74 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.13 -46.56 90.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.38 109.154 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -58.12 -49.41 77.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.286 -0.884 . . . . 1.2 109.282 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.79 91.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 109.589 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.45 58.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.373 -0.83 . . . . 0.26000000000000001 109.771 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.83 -43.11 98.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.40000000000000002 109.27 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.65 -35.37 74.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.087 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.84 -46.74 83.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.437 -0.789 . . . . 0.75 108.943 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.05 -50.67 67.5 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.764 -0.828 . . . . 2.1899999999999999 108.764 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.34 75.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.225 -0.657 . . . . 1.3400000000000001 109.225 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.71999999999999997 109.679 -179.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.184 0.516 . . . . 1.6699999999999999 109.669 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 44.5 m-85 -94.22 157.07 16.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.60999999999999999 109.37 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.84 -170.59 2.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.288 -0.882 . . . . 0.56000000000000005 109.418 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -151.46 146.5 25.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.319 -0.863 . . . . 0.42999999999999999 108.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.3 tp -140.4 135.67 32.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.446 -0.784 . . . . 0.34999999999999998 109.722 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.5 130.43 34.58 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.463 -0.939 . . . . 1.3700000000000001 108.463 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.17 113.85 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.682 0.753 . . . . 0.47999999999999998 109.183 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -73.32 151.43 41.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.689 -0.632 . . . . 2.0800000000000001 109.795 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.94 137.37 2.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.048 -1.221 . . . . 0.40000000000000002 110.048 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -82.04 -45.42 15.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -1.057 . . . . 2.6400000000000001 109.289 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.6 83.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.106 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.23 -41.83 99.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.322 -0.861 . . . . 2.7400000000000002 109.287 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.66 -56.51 18.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.545 -0.722 . . . . 0.42999999999999999 109.72 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.9 -39.62 59.36 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.745 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.15 -52.0 64.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 110.301 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.9 -45.95 92.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.27000000000000002 108.993 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.46 -42.22 61.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.288 -0.882 . . . . 2.4500000000000002 109.306 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.41 -44.13 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.247 -0.908 . . . . 1.75 109.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.12 -46.5 90.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.239 -0.913 . . . . 0.31 109.182 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 1.22 109.281 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.75 -38.82 92.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 1.73 109.581 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.56 57.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.293 -0.879 . . . . 0.28000000000000003 109.806 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.83 -43.2 98.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.31 109.281 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.57 -35.33 74.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.881 . . . . 1.9099999999999999 109.15 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.83 -46.71 83.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 0.42999999999999999 109.063 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.09 -50.63 67.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.746 -0.835 . . . . 1.5700000000000001 108.746 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.187 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -19.73 64.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.677 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 1.21 109.433 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.22 0.533 . . . . 1.7 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -95.03 155.47 16.72 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.258 -0.901 . . . . 0.60999999999999999 109.718 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.22 138.67 31.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.226 -0.921 . . . . 0.57999999999999996 109.1 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -96.36 161.71 13.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.304 -0.872 . . . . 0.41999999999999998 109.024 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.6 tp -149.31 135.29 18.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 0.35999999999999999 110.253 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.57 34.74 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.635 -0.876 . . . . 1.3700000000000001 108.635 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -124.33 118.06 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 CA-C-O 121.663 0.744 . . . . 0.46999999999999997 109.958 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.43 147.71 35.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.62 -0.675 . . . . 2.1000000000000001 109.801 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.49 137.64 5.43 Favored Glycine 0 N--CA 1.496 2.681 0 O-C-N 121.139 -0.976 . . . . 0.41999999999999998 110.755 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.43 -43.36 13.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.549 -0.971 . . . . 2.6800000000000002 109.252 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.27 -45.92 91.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.186 -0.946 . . . . 2.2200000000000002 109.547 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.507 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -62.94 -40.71 98.47 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.249 -0.907 . . . . 2.77 109.667 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -52.64 52.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.406 -0.808 . . . . 0.42999999999999999 109.616 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.25 -38.52 63.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 1.6599999999999999 110.037 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 60.0 ttp -64.61 -50.16 68.23 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.221 -0.925 . . . . 0.44 110.621 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -59.71 -44.71 93.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.082 -1.011 . . . . 0.28999999999999998 109.016 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.84 -45.96 59.9 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.393 -0.817 . . . . 2.4399999999999999 109.54 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.06 -48.56 81.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 1.74 110.051 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.73 -38.8 86.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.29999999999999999 109.164 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -59.12 -53.11 62.03 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.385 -0.822 . . . . 1.22 109.827 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.98 -33.7 76.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.72 110.105 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.2 -55.71 31.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.937 . . . . 0.27000000000000002 110.318 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.23 -41.84 97.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.28999999999999998 109.53 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.46 75.03 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.1 -1.0 . . . . 1.9099999999999999 109.011 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.95 -52.03 53.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.461 -0.775 . . . . 0.40999999999999998 109.549 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.34 -38.77 90.76 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.699 0.762 . . . . 1.5600000000000001 109.059 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.32 -39.08 69.54 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.62 -0.675 . . . . 1.4299999999999999 109.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.76 47.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.66000000000000003 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.427 HE22 HD11 ' B' ' 350' ' ' LEU . 22.3 mt-30 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.845 . . . . 1.1799999999999999 109.849 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.203 0.525 . . . . 1.6100000000000001 109.749 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -95.01 155.43 16.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.29 -0.881 . . . . 0.56999999999999995 109.649 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -142.14 138.69 31.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.303 -0.873 . . . . 0.53000000000000003 109.087 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -96.31 161.82 13.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.38 109.061 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.8 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 0.35999999999999999 110.18 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.52 34.72 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.652 -0.87 . . . . 1.3600000000000001 108.652 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.26 118.13 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-O 121.643 0.735 . . . . 0.48999999999999999 109.883 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -77.55 147.79 35.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.598 -0.689 . . . . 2.1000000000000001 109.76 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.54 137.69 5.47 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.691 -0.964 . . . . 0.44 110.691 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.44 -43.41 13.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.471 -1.017 . . . . 2.7200000000000002 109.263 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.25 -45.83 91.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 2.21 109.563 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.504 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.5 ttm-85 -63.06 -40.67 98.39 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 2.79 109.592 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.58 -52.5 54.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.455 -0.778 . . . . 0.45000000000000001 109.611 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -53.24 -38.54 63.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 110.029 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.63 -50.23 67.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 0.42999999999999999 110.577 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -59.74 -44.72 93.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.28000000000000003 108.975 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.75 -46.05 59.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.383 -0.823 . . . . 2.52 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.06 -48.61 80.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 1.75 110.047 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.65 -38.77 85.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.31 109.267 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.21 -53.12 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.21 109.731 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.02 -33.69 76.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.6899999999999999 110.115 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.27 -55.64 32.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.272 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.2 -41.85 97.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.29999999999999999 109.615 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.01 -35.44 75.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 1.9299999999999999 108.995 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.427 HD11 HE22 ' A' ' 354' ' ' GLN . 26.1 tp -65.98 -51.82 54.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.463 -0.773 . . . . 0.40000000000000002 109.571 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.38 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.355 -0.841 . . . . 1.5900000000000001 108.984 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.25 -39.07 69.34 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.616 -0.678 . . . . 1.4299999999999999 109.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.65000000000000002 109.631 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.251 0.548 . . . . 2.1099999999999999 109.741 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -95.09 155.51 16.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -0.878 . . . . 0.64000000000000001 109.705 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.2 138.58 31.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.216 -0.927 . . . . 0.48999999999999999 109.075 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -96.22 161.6 13.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.919 . . . . 0.46999999999999997 109.104 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.2 tp -149.26 135.45 19.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.972 . . . . 0.41999999999999998 110.165 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.34 128.55 34.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.635 -0.876 . . . . 1.8100000000000001 108.635 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.39 118.09 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-O 121.732 0.777 . . . . 0.41999999999999998 109.881 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.49 147.78 35.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 2.3500000000000001 109.772 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.57 137.66 5.47 Favored Glycine 0 N--CA 1.497 2.73 0 C-N-CA 120.257 -0.973 . . . . 0.40999999999999998 110.723 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -85.45 -43.46 13.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -1.027 . . . . 2.5899999999999999 109.228 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.25 -45.83 91.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.91 . . . . 2.54 109.579 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.514 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.73 98.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.264 -0.898 . . . . 3.3900000000000001 109.569 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.51 -52.59 53.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.435 -0.791 . . . . 0.46999999999999997 109.619 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -53.2 -38.57 62.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.882 . . . . 1.6599999999999999 110.028 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.56 -50.21 68.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.201 -0.937 . . . . 0.60999999999999999 110.598 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -59.68 -44.73 93.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.33000000000000002 109.011 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.88 -45.94 60.24 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 109.553 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.13 -48.56 81.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.385 -0.822 . . . . 1.78 109.999 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.65 -38.77 85.93 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.122 -0.986 . . . . 0.38 109.22 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -59.27 -53.05 62.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 1.2 109.688 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.01 -33.65 76.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 2.1200000000000001 110.033 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -55.72 31.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.291 -0.881 . . . . 0.26000000000000001 110.226 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -41.91 97.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.40000000000000002 109.521 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.95 -35.51 75.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.172 -0.955 . . . . 2.0899999999999999 109.002 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.413 HD11 HE22 ' D' ' 354' ' ' GLN . 26.1 tp -65.89 -51.94 54.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 0.75 109.547 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.39 -38.91 91.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.3 -38.99 69.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.659 -0.651 . . . . 1.3400000000000001 109.477 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.71999999999999997 109.608 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.347 0.594 . . . . 1.6699999999999999 109.664 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -95.03 155.56 16.68 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.242 -0.911 . . . . 0.60999999999999999 109.657 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.25 138.69 31.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.184 -0.947 . . . . 0.56000000000000005 109.039 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -96.36 161.84 13.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.42999999999999999 109.055 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.026 . . . . 0.34999999999999998 110.195 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.18 128.57 34.72 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.703 -0.851 . . . . 1.3700000000000001 108.703 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.33 118.15 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 CA-C-O 121.603 0.716 . . . . 0.47999999999999998 109.867 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.59 147.81 35.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.639 -0.663 . . . . 2.0800000000000001 109.795 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.53 137.56 5.42 Favored Glycine 0 N--CA 1.495 2.613 0 O-C-N 121.189 -0.944 . . . . 0.40000000000000002 110.764 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -85.4 -43.35 13.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.465 -1.021 . . . . 2.6400000000000001 109.263 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.34 -45.81 92.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.2200000000000002 109.527 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.508 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.64 98.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.283 -0.885 . . . . 2.7400000000000002 109.612 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.67 -52.42 55.93 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.456 -0.777 . . . . 0.42999999999999999 109.617 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.34 -38.47 63.28 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 1.6899999999999999 109.999 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 60.0 ttp -64.72 -50.08 68.34 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.197 -0.94 . . . . 0.42999999999999999 110.638 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.78 -44.72 93.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.064 -1.023 . . . . 0.27000000000000002 108.977 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -50.78 -46.01 59.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.409 -0.807 . . . . 2.4500000000000002 109.537 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.11 -48.63 80.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.275 -0.89 . . . . 1.75 110.018 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.58 -38.82 85.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.093 -1.004 . . . . 0.31 109.231 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.15 -53.15 61.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.277 -0.89 . . . . 1.22 109.712 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.01 -33.59 76.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 1.73 110.042 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.29 -55.73 31.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.122 -0.986 . . . . 0.28000000000000003 110.317 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.26 -41.83 97.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.088 -1.008 . . . . 0.31 109.567 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.51 75.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.136 -0.977 . . . . 1.9099999999999999 108.972 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.92 -52.02 53.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.42 -0.8 . . . . 0.42999999999999999 109.571 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -62.34 -38.85 91.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.379 -0.826 . . . . 1.5700000000000001 108.993 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.27 -39.11 69.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.719 -0.613 . . . . 1.4399999999999999 109.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.77 -50.74 48.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 0.64000000000000001 109.559 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.413 HE22 HD11 ' C' ' 350' ' ' LEU . 22.3 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.84 . . . . 1.21 109.865 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.318 0.58 . . . . 1.7 109.787 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.77 151.2 19.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.262 -0.899 . . . . 0.60999999999999999 109.135 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.51 ' H ' ' NE2' ' C' ' 331' ' ' GLN . 80.3 m-85 -135.72 -169.05 2.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.347 -0.845 . . . . 0.57999999999999996 109.837 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.01 151.61 32.31 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.321 -0.992 . . . . 0.41999999999999998 108.321 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 65.0 tp -143.53 135.62 26.78 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.279 -0.888 . . . . 0.35999999999999999 109.895 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.566 ' NE2' ' H ' ' C' ' 328' ' ' PHE . 5.4 tm0? -84.47 128.03 34.36 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.371 -0.974 . . . . 1.3700000000000001 108.371 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.1 mt -123.75 107.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 108.892 -0.781 . . . . 0.46999999999999997 108.892 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.52 142.8 42.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.53 -0.731 . . . . 2.1000000000000001 109.845 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.5 133.3 7.95 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.878 -1.289 . . . . 0.41999999999999998 109.878 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.71 -46.9 20.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.365 -1.079 . . . . 2.6800000000000002 109.296 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -58.04 -44.15 87.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.355 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.12 -43.33 98.72 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.36 -0.837 . . . . 2.77 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -54.41 -58.65 6.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.569 -0.707 . . . . 0.42999999999999999 109.868 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.32 -40.06 61.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.421 -0.799 . . . . 1.6599999999999999 109.745 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.223 -0.923 . . . . 0.44 110.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.43 -47.99 83.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.119 -0.988 . . . . 0.28999999999999998 108.994 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.33 -43.04 61.63 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.377 -0.827 . . . . 2.4399999999999999 109.682 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.85 -43.46 94.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -0.939 . . . . 1.74 109.939 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.57 -43.78 98.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.29999999999999999 109.314 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.71 -51.37 69.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.229 -0.92 . . . . 1.22 109.455 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.97 -39.61 95.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.87 . . . . 1.72 109.803 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -52.36 65.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.325 -0.859 . . . . 0.27000000000000002 109.948 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.28999999999999998 109.486 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.59 -35.89 75.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 109.43 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.14 -49.28 74.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.255 -0.903 . . . . 0.40999999999999998 109.351 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.54 78.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.388 -0.82 . . . . 1.5600000000000001 108.974 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.29 -31.06 67.12 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.545 -0.722 . . . . 1.4299999999999999 109.597 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.9 84.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.66000000000000003 109.93 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.476 HE22 HD11 ' B' ' 350' ' ' LEU . 64.6 mt-30 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.261 -0.899 . . . . 1.1799999999999999 109.46 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.305 0.574 . . . . 1.6100000000000001 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -93.72 151.09 19.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.192 -0.942 . . . . 0.56999999999999995 109.105 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.51 ' H ' ' NE2' ' D' ' 331' ' ' GLN . 80.6 m-85 -135.67 -169.08 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.327 -0.858 . . . . 0.53000000000000003 109.8 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -150.98 151.52 32.21 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.371 -0.974 . . . . 0.38 108.371 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.41 135.72 27.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.35999999999999999 109.847 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.556 ' NE2' ' H ' ' D' ' 328' ' ' PHE . 5.4 tm0? -84.72 128.02 34.4 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.367 -0.975 . . . . 1.3600000000000001 108.367 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.954 -0.758 . . . . 0.48999999999999999 108.954 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.44 142.76 42.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.567 -0.708 . . . . 2.1000000000000001 109.889 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.39 133.23 7.91 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -77.56 -46.95 20.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -1.126 . . . . 2.7200000000000002 109.38 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.96 -44.27 86.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.375 -0.828 . . . . 2.21 109.314 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.06 -43.35 98.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.314 -0.866 . . . . 2.79 109.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.56 6.98 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.663 -0.648 . . . . 0.45000000000000001 109.965 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.29 -40.06 61.31 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 109.778 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -51.26 66.03 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.285 -0.884 . . . . 0.42999999999999999 109.983 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.44 -47.96 83.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.28000000000000003 109.003 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.92 61.91 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.338 -0.851 . . . . 2.52 109.64 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 1.75 109.946 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.69 -43.76 98.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.155 -0.966 . . . . 0.31 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.65 -51.34 69.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.266 -0.896 . . . . 1.21 109.443 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.06 -39.54 95.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.827 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.97 -52.23 66.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -0.884 . . . . 0.27000000000000002 109.919 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.76 -43.84 98.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.29999999999999999 109.468 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.47 -36.02 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.9299999999999999 109.376 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.476 HD11 HE22 ' A' ' 354' ' ' GLN . 39.0 tp -63.18 -49.27 74.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.40000000000000002 109.337 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.08 -48.5 78.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.345 -0.847 . . . . 1.5900000000000001 108.984 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.26 -31.06 67.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.554 -0.716 . . . . 1.4299999999999999 109.626 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.927 . . . . 0.65000000000000002 109.902 -179.559 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.284 0.564 . . . . 2.1099999999999999 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -93.73 151.0 19.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.885 . . . . 0.64000000000000001 109.185 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.566 ' H ' ' NE2' ' A' ' 331' ' ' GLN . 80.4 m-85 -135.6 -169.11 2.33 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.327 -0.858 . . . . 0.48999999999999999 109.831 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.5 p -150.99 151.49 32.16 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.354 -0.98 . . . . 0.46999999999999997 108.354 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 65.2 tp -143.43 135.72 27.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.216 -0.927 . . . . 0.41999999999999998 109.838 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' A' ' 328' ' ' PHE . 5.4 tm0? -84.74 127.96 34.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.37 -0.974 . . . . 1.8100000000000001 108.37 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.62 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 108.885 -0.783 . . . . 0.41999999999999998 108.885 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.55 142.77 42.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.583 -0.698 . . . . 2.3500000000000001 109.857 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.36 133.31 7.94 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.887 -1.285 . . . . 0.40999999999999998 109.887 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.55 -47.03 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -1.085 . . . . 2.5899999999999999 109.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.0 -44.08 87.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 2.54 109.364 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.24 -43.28 98.48 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.37 -0.831 . . . . 3.3900000000000001 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.51 -58.51 7.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.66 -0.65 . . . . 0.46999999999999997 109.897 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.44 -39.91 61.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.761 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.27 66.06 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.227 -0.921 . . . . 0.60999999999999999 110.014 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.49 -47.92 83.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -0.965 . . . . 0.33000000000000002 109.013 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.93 61.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.352 -0.842 . . . . 3.2799999999999998 109.692 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.94 -43.38 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.261 -0.899 . . . . 1.78 109.901 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.65 -43.76 98.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.131 -0.981 . . . . 0.38 109.285 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.73 -51.27 70.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 1.2 109.448 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.02 -39.6 95.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.336 -0.853 . . . . 2.1200000000000001 109.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -52.26 66.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.907 . . . . 0.26000000000000001 109.952 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.83 -43.83 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.93 . . . . 0.40000000000000002 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.43 -36.0 75.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.38 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -49.27 74.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -0.879 . . . . 0.75 109.351 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.438 -0.789 . . . . 2.1899999999999999 108.925 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.24 -31.09 67.06 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.611 -0.68 . . . . 1.3400000000000001 109.623 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.71999999999999997 109.917 -179.536 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.278 0.561 . . . . 1.6699999999999999 109.835 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.66 151.01 19.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.246 -0.909 . . . . 0.60999999999999999 109.25 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.556 ' H ' ' NE2' ' B' ' 331' ' ' GLN . 80.4 m-85 -135.65 -169.06 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.406 -0.809 . . . . 0.56000000000000005 109.836 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.1 151.42 31.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.433 -0.951 . . . . 0.42999999999999999 108.433 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 65.3 tp -143.34 135.68 27.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.234 -0.917 . . . . 0.34999999999999998 109.883 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' B' ' 328' ' ' PHE . 5.4 tm0? -84.75 128.11 34.45 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.325 -0.991 . . . . 1.3700000000000001 108.325 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -123.78 107.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 N-CA-C 108.89 -0.781 . . . . 0.47999999999999998 108.89 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -75.42 142.86 42.95 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.631 -0.668 . . . . 2.0800000000000001 109.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.34 133.26 7.92 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.887 -1.285 . . . . 0.40000000000000002 109.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.6 -46.98 20.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.388 -1.066 . . . . 2.6400000000000001 109.393 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.04 -44.13 87.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 2.2200000000000002 109.368 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.15 -43.36 98.53 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.58 6.89 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.587 -0.696 . . . . 0.42999999999999999 109.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.34 -40.01 61.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.374 -0.829 . . . . 1.6899999999999999 109.793 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.26 66.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.228 -0.92 . . . . 0.42999999999999999 110.026 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.41 -48.02 83.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.27000000000000002 109.008 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.37 -42.97 61.73 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.308 -0.87 . . . . 2.4500000000000002 109.742 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.51 94.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.92 . . . . 1.75 109.89 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.63 -43.81 98.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.31 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -57.55 -51.52 69.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.295 -0.878 . . . . 1.22 109.463 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.98 -39.53 94.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 1.73 109.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.85 -52.3 66.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 0.28000000000000003 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.84 -43.53 98.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.176 -0.953 . . . . 0.31 109.469 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.75 -35.87 75.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.9099999999999999 109.407 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.3 -49.23 74.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -0.868 . . . . 0.42999999999999999 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.07 -48.57 78.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.444 -0.785 . . . . 1.5700000000000001 108.951 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.25 -31.15 67.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.543 -0.723 . . . . 1.4399999999999999 109.6 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.0 84.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.255 -0.903 . . . . 0.64000000000000001 109.939 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.096 -1.003 . . . . 1.21 109.525 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 326' ' ' GLU . 21.1 mp0 . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.541 -0.54 . . . . 1.7 109.541 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 30.4 m-85 -98.0 151.83 19.91 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -0.891 . . . . 0.60999999999999999 110.418 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.41 135.77 32.4 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.374 -0.973 . . . . 0.57999999999999996 108.374 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 71.1 p -96.84 160.71 14.21 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.249 -0.907 . . . . 0.41999999999999998 109.715 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -148.2 134.56 19.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.35999999999999999 109.81 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.59 129.64 34.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.543 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.96 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 N-CA-C 109.044 -0.725 . . . . 0.46999999999999997 109.044 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.8 154.9 35.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 2.1000000000000001 110.19 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 139.26 2.23 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.411 -1.076 . . . . 0.41999999999999998 110.411 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -82.82 -47.56 11.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.353 -1.087 . . . . 2.6800000000000002 109.342 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.54 -37.5 73.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.831 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.86 -38.91 90.03 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.394 -0.816 . . . . 2.77 109.23 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.54 -52.2 64.5 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.566 -0.709 . . . . 0.42999999999999999 109.878 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.35 -39.13 60.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.956 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.97 -53.37 55.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 0.44 110.054 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.84 -45.1 95.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.995 . . . . 0.28999999999999998 108.94 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.23 -41.68 60.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 2.4399999999999999 109.213 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.92 63.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 1.74 109.503 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -38.88 86.03 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.161 -0.962 . . . . 0.29999999999999999 108.563 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -55.8 30.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.426 -0.796 . . . . 1.22 109.361 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.14 -34.07 76.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 1.72 109.497 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.77 -55.34 34.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -0.863 . . . . 0.27000000000000002 109.756 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.73 -44.77 96.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 0.28999999999999998 109.64 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.09 -34.81 73.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.231 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.57 -50.74 66.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.355 -0.841 . . . . 0.40999999999999998 109.667 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.08 99.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 1.5600000000000001 109.061 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.51 -33.78 66.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.488 -0.758 . . . . 1.4299999999999999 109.406 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.05 -47.82 67.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.265 -0.897 . . . . 0.66000000000000003 109.672 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 1.1799999999999999 109.643 -179.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' B' ' 326' ' ' GLU . 21.2 mp0 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.316 0.579 . . . . 1.6100000000000001 109.504 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.4 m-85 -97.98 151.6 20.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.221 -0.924 . . . . 0.56999999999999995 110.438 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.15 135.82 32.86 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.29 -1.004 . . . . 0.53000000000000003 108.29 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.9 p -96.81 160.82 14.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.262 -0.899 . . . . 0.38 109.74 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -148.24 134.44 19.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.355 -0.84 . . . . 0.35999999999999999 109.843 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.45 129.51 34.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 1.3600000000000001 109.593 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.3 mt -124.06 115.88 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.547 -0.721 . . . . 0.48999999999999999 109.108 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -75.67 155.13 36.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.365 -0.834 . . . . 2.1000000000000001 110.206 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.14 139.2 2.1 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.429 -1.068 . . . . 0.44 110.429 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -82.7 -47.76 11.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -1.08 . . . . 2.7200000000000002 109.264 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.5 -37.49 73.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.99 . . . . 2.21 108.814 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -61.79 -39.0 90.16 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.482 -0.761 . . . . 2.79 109.257 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.46 -52.14 64.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.482 -0.761 . . . . 0.45000000000000001 110.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.37 -39.11 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.022 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -63.0 -53.33 55.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.201 -0.937 . . . . 0.42999999999999999 110.107 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.85 -45.06 96.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.28000000000000003 108.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.2 -41.81 60.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 2.52 109.214 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.54 -52.82 64.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 1.75 109.61 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.55 -38.89 85.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.31 108.607 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.63 -55.59 32.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.434 -0.791 . . . . 1.21 109.352 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.25 -33.96 76.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 109.536 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.83 -55.49 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -0.888 . . . . 0.27000000000000002 109.831 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.59 -44.92 96.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.255 -0.903 . . . . 0.29999999999999999 109.566 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.125 -0.985 . . . . 1.9299999999999999 109.393 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.62 -50.63 66.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.279 -0.888 . . . . 0.40000000000000002 109.646 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.12 -43.14 99.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 1.5900000000000001 109.013 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -56.43 -33.8 66.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.452 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.65000000000000002 109.6 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.529 -0.545 . . . . 2.1099999999999999 109.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 31.0 m-85 -98.08 151.72 20.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 110.397 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.26 135.9 32.77 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.373 -0.973 . . . . 0.48999999999999999 108.373 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -96.94 160.77 14.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.333 -0.854 . . . . 0.46999999999999997 109.737 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.0 tp -148.22 134.56 19.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.859 . . . . 0.41999999999999998 109.824 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.48 129.54 34.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.475 -0.765 . . . . 1.8100000000000001 109.607 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.12 116.0 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.536 -0.727 . . . . 0.41999999999999998 109.059 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.82 155.07 35.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.414 -0.804 . . . . 2.3500000000000001 110.132 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 139.23 2.18 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.371 -1.092 . . . . 0.40999999999999998 110.371 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.8 -47.66 11.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -1.076 . . . . 2.5899999999999999 109.247 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.44 -37.55 73.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 2.54 108.837 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.76 -39.07 90.33 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.387 -0.821 . . . . 3.3900000000000001 109.27 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -55.48 -52.18 64.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -0.779 . . . . 0.46999999999999997 109.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.42 -39.08 60.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.977 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.02 -53.36 55.11 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.191 -0.943 . . . . 0.60999999999999999 110.065 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.84 -45.1 95.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.33000000000000002 108.877 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.21 -41.83 60.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.845 . . . . 3.2799999999999998 109.189 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -58.51 -52.81 64.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 1.78 109.595 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.52 -38.95 86.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.38 108.606 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.59 -55.72 31.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.364 -0.835 . . . . 1.2 109.34 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.11 -34.04 76.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 2.1200000000000001 109.521 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.89 -55.4 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.318 -0.864 . . . . 0.26000000000000001 109.763 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.63 -44.95 96.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.28 -0.888 . . . . 0.40000000000000002 109.626 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.85 -34.87 73.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 2.0899999999999999 109.341 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.66 -50.61 66.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.356 -0.84 . . . . 0.75 109.644 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.14 99.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.379 -0.825 . . . . 2.1899999999999999 109.013 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -56.48 -33.8 66.31 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.417 -0.802 . . . . 1.3400000000000001 109.349 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.285 -0.885 . . . . 0.71999999999999997 109.608 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' D' ' 326' ' ' GLU . 21.1 mp0 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.304 0.574 . . . . 1.6699999999999999 109.542 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 30.1 m-85 -97.94 151.94 19.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.221 -0.924 . . . . 0.60999999999999999 110.413 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.55 135.82 32.23 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.313 -0.995 . . . . 0.56000000000000005 108.313 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 70.5 p -96.84 160.77 14.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.287 -0.883 . . . . 0.42999999999999999 109.725 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 35.7 tp -148.26 134.54 19.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.854 . . . . 0.34999999999999998 109.821 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.5 129.67 34.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.821 . . . . 1.3700000000000001 109.542 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.98 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.519 -0.738 . . . . 0.47999999999999998 109.1 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.73 154.96 36.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.808 . . . . 2.0800000000000001 110.171 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.3 139.18 2.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.383 -1.087 . . . . 0.40000000000000002 110.383 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.68 -47.66 11.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -1.152 . . . . 2.6400000000000001 109.252 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -57.5 -37.65 73.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.051 -1.03 . . . . 2.2200000000000002 108.799 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.73 -38.99 90.0 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.503 -0.748 . . . . 2.7400000000000002 109.213 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.52 -52.09 64.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.586 -0.696 . . . . 0.42999999999999999 109.927 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.4 -39.18 60.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 1.6899999999999999 109.932 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.01 -53.29 56.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.078 -1.013 . . . . 0.42999999999999999 110.135 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.82 -45.07 95.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.27000000000000002 108.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.24 -41.75 60.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 2.4500000000000002 109.163 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.81 64.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.75 109.598 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.6 -38.92 86.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.202 -0.936 . . . . 0.31 108.579 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.56 -55.64 32.18 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.422 -0.799 . . . . 1.22 109.355 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.2 -34.16 77.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 1.73 109.533 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -55.33 34.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.86 . . . . 0.28000000000000003 109.782 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.68 -44.79 96.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.833 . . . . 0.31 109.672 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.14 -34.8 74.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.9099999999999999 109.265 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.6 -50.67 66.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -0.882 . . . . 0.42999999999999999 109.686 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.13 99.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 1.5700000000000001 108.999 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.44 -33.87 66.27 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.432 -0.792 . . . . 1.4399999999999999 109.423 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.82 67.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.64000000000000001 109.634 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.297 -0.877 . . . . 1.21 109.679 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.277 -0.638 . . . . 1.7 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.91 145.82 26.07 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 110.036 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -140.43 136.58 33.19 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.443 -0.947 . . . . 0.57999999999999996 108.443 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.67 162.42 13.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.37 -0.831 . . . . 0.41999999999999998 109.181 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 41.0 tp -149.4 132.32 16.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 0.35999999999999999 109.941 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.41 126.39 33.2 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.83 111.0 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 O-C-N 121.587 -0.696 . . . . 0.46999999999999997 109.302 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.81 150.25 37.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.368 -0.832 . . . . 2.1000000000000001 109.712 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.74 138.58 8.15 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.973 -1.251 . . . . 0.41999999999999998 109.973 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -84.72 -51.18 6.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -1.07 . . . . 2.6800000000000002 109.499 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.63 -42.28 83.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.33 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.56 -44.72 96.52 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.332 -0.855 . . . . 2.77 109.339 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.9 -55.1 34.24 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.673 -0.642 . . . . 0.42999999999999999 109.772 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -52.39 -38.2 58.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.6599999999999999 109.936 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.23 70.49 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 0.44 110.615 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.34 -43.09 99.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.28999999999999998 109.17 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.69 -44.46 63.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 2.4399999999999999 109.386 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.79 -45.85 92.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.306 -0.871 . . . . 1.74 109.725 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.29 -0.881 . . . . 0.29999999999999999 109.224 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.44 -50.83 72.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.203 -0.935 . . . . 1.22 109.322 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.2 -36.68 82.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 1.72 109.355 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -51.35 70.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.304 -0.872 . . . . 0.27000000000000002 109.626 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 46.9 mt -62.34 -45.25 94.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 0.28999999999999998 109.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.58 -35.01 73.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.286 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -63.75 -50.32 69.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.418 -0.801 . . . . 0.40999999999999998 109.182 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.22 -40.07 88.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 1.5600000000000001 109.034 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 348' ' ' LEU . 1.8 m-20 -56.48 -36.18 68.8 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.516 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.908 . . . . 0.66000000000000003 109.658 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.1799999999999999 109.369 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.402 -0.592 . . . . 1.6100000000000001 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.9 145.59 26.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.273 -0.892 . . . . 0.56999999999999995 110.157 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.29 136.44 33.28 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.452 -0.944 . . . . 0.53000000000000003 108.452 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.2 p -97.53 162.45 13.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.374 -0.829 . . . . 0.38 109.2 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 41.2 tp -149.45 132.35 16.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.258 -0.901 . . . . 0.35999999999999999 109.906 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.36 126.35 33.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.612 -0.885 . . . . 1.3600000000000001 108.612 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.77 111.06 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.574 -0.704 . . . . 0.48999999999999999 109.35 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.89 150.27 37.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.1000000000000001 109.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.61 8.12 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.032 -1.227 . . . . 0.44 110.032 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -84.79 -51.15 6.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.404 -1.056 . . . . 2.7200000000000002 109.537 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.54 -42.45 82.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 2.21 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.45 -44.76 96.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.381 -0.825 . . . . 2.79 109.343 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -54.98 -55.07 34.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.579 -0.7 . . . . 0.45000000000000001 109.759 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -52.37 -38.18 58.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 1.6799999999999999 109.975 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.44 -50.41 69.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 110.525 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.22 -43.08 99.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.28000000000000003 109.213 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.73 -44.43 63.26 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.126 -0.984 . . . . 2.52 109.335 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.86 -45.77 93.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.201 -0.937 . . . . 1.75 109.73 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.174 -0.954 . . . . 0.31 109.219 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.43 -50.94 71.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.21 109.309 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.17 -36.62 82.41 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 109.398 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.68 -51.32 70.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.27000000000000002 109.583 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.27 -45.03 95.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.29999999999999999 109.35 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.9 -34.92 73.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.316 -0.865 . . . . 1.9299999999999999 109.243 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -63.78 -50.19 69.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.414 -0.804 . . . . 0.40000000000000002 109.192 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.32 -40.17 89.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 1.5900000000000001 108.942 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.52 -36.11 68.83 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.649 -0.657 . . . . 1.4299999999999999 109.514 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 0.65000000000000002 109.709 -179.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.358 -0.608 . . . . 2.1099999999999999 109.358 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.95 145.69 26.22 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.221 -0.924 . . . . 0.64000000000000001 110.145 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.28 136.56 33.41 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.427 -0.953 . . . . 0.48999999999999999 108.427 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -97.55 162.51 13.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.376 -0.828 . . . . 0.46999999999999997 109.294 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.5 132.26 15.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.41999999999999998 110.014 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.33 126.29 33.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.603 -0.888 . . . . 1.8100000000000001 108.603 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.4 mt -123.8 111.02 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.499 -0.751 . . . . 0.41999999999999998 109.294 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.75 150.27 37.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.369 -0.832 . . . . 2.3500000000000001 109.632 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.5 8.06 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.992 -1.243 . . . . 0.40999999999999998 109.992 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.66 -51.17 7.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -1.061 . . . . 2.5899999999999999 109.525 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.59 -42.33 82.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 2.54 109.349 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.62 -44.64 96.62 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 3.3900000000000001 109.303 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -55.03 35.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.604 -0.685 . . . . 0.46999999999999997 109.685 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.43 -38.26 58.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.968 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.39 -50.26 70.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.60999999999999999 110.596 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.27 -43.13 99.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 0.33000000000000002 109.208 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.63 -44.55 62.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 3.2799999999999998 109.407 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.78 -45.83 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.315 -0.865 . . . . 1.78 109.73 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.53 -43.42 98.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.21 -0.931 . . . . 0.38 109.232 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -58.54 -50.9 72.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 1.2 109.284 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.02 -36.76 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 109.417 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -51.32 70.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.26000000000000001 109.552 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 46.5 mt -62.34 -45.04 95.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.40000000000000002 109.385 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.88 -34.94 73.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.226 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -63.68 -50.19 70.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.331 -0.855 . . . . 0.75 109.255 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.34 -40.18 89.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 2.1899999999999999 108.996 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' C' ' 348' ' ' LEU . 1.8 m-20 -56.51 -36.12 68.82 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.427 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.877 . . . . 0.71999999999999997 109.66 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.413 -0.588 . . . . 1.6699999999999999 109.413 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -97.93 145.6 26.3 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.218 -0.926 . . . . 0.60999999999999999 110.125 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.3 136.36 33.17 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.526 -0.916 . . . . 0.56000000000000005 108.526 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.56 162.44 13.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.368 -0.833 . . . . 0.42999999999999999 109.195 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.38 132.33 16.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.165 -0.959 . . . . 0.34999999999999998 109.941 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -84.33 126.33 33.11 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.61 -0.885 . . . . 1.3700000000000001 108.61 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.82 111.05 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.6 -0.688 . . . . 0.47999999999999998 109.385 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.75 150.18 37.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.482 -0.761 . . . . 2.0800000000000001 109.732 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.72 138.57 8.14 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.996 -1.242 . . . . 0.40000000000000002 109.996 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.75 -51.13 7.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -1.073 . . . . 2.6400000000000001 109.518 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.51 -42.53 82.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.362 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.39 -44.7 96.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.296 -0.878 . . . . 2.7400000000000002 109.308 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.12 -54.99 36.16 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.585 -0.697 . . . . 0.42999999999999999 109.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.025 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.35 70.02 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.42999999999999999 110.506 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.29 -43.02 99.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.27000000000000002 109.212 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.71 -44.49 63.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.145 -0.972 . . . . 2.4500000000000002 109.387 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.84 -45.83 92.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.75 109.689 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.44 -43.56 98.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.051 -1.031 . . . . 0.31 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -58.44 -50.97 71.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 1.22 109.335 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -36.68 82.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.835 . . . . 1.73 109.472 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.34 70.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.352 -0.842 . . . . 0.28000000000000003 109.62 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.9 mt -62.3 -45.17 94.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.31 109.334 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.74 -34.93 73.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.252 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -63.79 -50.3 69.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.371 -0.831 . . . . 0.42999999999999999 109.195 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.29 -40.01 88.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 1.5700000000000001 109.048 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.61 -36.07 69.0 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.69 -0.632 . . . . 1.4399999999999999 109.423 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.1 83.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.64000000000000001 109.662 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 1.21 109.328 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.439 -0.578 . . . . 1.7 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.49 147.79 23.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.301 -0.874 . . . . 0.60999999999999999 109.915 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.56 -173.26 3.3 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.747 -0.834 . . . . 0.57999999999999996 108.747 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -150.58 149.92 30.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.171 -0.956 . . . . 0.41999999999999998 108.637 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.9 tp -142.09 133.28 26.23 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.295 -0.878 . . . . 0.35999999999999999 109.673 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.44 128.19 34.64 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.962 -0.755 . . . . 1.3700000000000001 108.962 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.86 114.76 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.5 -0.75 . . . . 0.46999999999999997 109.269 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -75.38 147.82 39.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.341 -0.849 . . . . 2.1000000000000001 109.835 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.75 5.36 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.211 -1.155 . . . . 0.41999999999999998 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.34 -44.38 14.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -1.084 . . . . 2.6800000000000002 109.223 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.43 -46.7 83.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.866 . . . . 2.2200000000000002 109.075 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -62.88 -43.05 99.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 109.148 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.81 -55.6 28.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.621 -0.674 . . . . 0.42999999999999999 109.751 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.75 -37.54 51.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 109.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -62.92 -52.44 63.05 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.241 -0.912 . . . . 0.44 110.299 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.23 -42.75 99.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.28999999999999998 109.109 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.95 -42.49 62.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 2.4399999999999999 109.318 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.95 -51.96 67.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 1.74 109.782 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.35 -38.17 82.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 108.837 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.32 -54.87 41.81 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.7 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -61.88 -34.14 75.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.72 109.798 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.25 -50.71 72.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.27000000000000002 109.737 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.86 -42.46 99.08 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.28999999999999998 109.368 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.38 -40.81 83.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 108.888 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.53 -41.92 98.46 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.775 -0.824 . . . . 0.40999999999999998 108.775 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 108.712 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.31 66.48 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.197 0.522 . . . . 1.4299999999999999 109.948 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.52 82.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.983 . . . . 0.66000000000000003 109.746 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.87 . . . . 1.1799999999999999 109.832 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.463 -0.569 . . . . 1.6100000000000001 109.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -96.45 147.72 23.54 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.343 -0.848 . . . . 0.56999999999999995 109.941 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -135.5 -173.21 3.28 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.761 -0.829 . . . . 0.53000000000000003 108.761 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -150.66 149.77 30.26 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.062 -1.024 . . . . 0.38 108.645 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -141.95 133.31 26.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.358 -0.839 . . . . 0.35999999999999999 109.721 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.38 128.2 34.63 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.962 -0.755 . . . . 1.3600000000000001 108.962 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.89 114.71 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.53 -0.731 . . . . 0.48999999999999999 109.294 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -75.22 147.82 40.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 2.1000000000000001 109.959 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.92 136.73 5.31 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.248 -1.141 . . . . 0.44 110.248 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.33 -44.33 15.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.479 -1.012 . . . . 2.7200000000000002 109.208 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -57.54 -46.83 83.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.265 -0.897 . . . . 2.21 109.043 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.56 -43.16 99.51 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 2.79 109.206 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -54.81 -55.68 27.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.498 -0.751 . . . . 0.45000000000000001 109.719 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.77 -37.44 51.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.901 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.41 63.12 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 110.354 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.21 -42.78 99.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.117 -0.99 . . . . 0.28000000000000003 109.053 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.99 -42.49 63.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.52 109.353 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.87 -51.94 67.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.915 . . . . 1.75 109.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.25 -38.29 83.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.083 -1.01 . . . . 0.31 108.858 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.35 -54.85 41.98 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 1.21 109.664 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -34.09 75.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 109.841 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -50.69 72.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.27000000000000002 109.781 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.89 -42.45 99.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.16 -0.963 . . . . 0.29999999999999999 109.389 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -58.42 -40.77 83.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 108.817 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.40000000000000002 108.819 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.47 -44.26 97.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 1.5900000000000001 108.654 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.22 -32.37 66.44 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.78 -0.575 . . . . 1.4299999999999999 110.021 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.65000000000000002 109.797 -179.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.449 -0.574 . . . . 2.1099999999999999 109.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.47 147.86 23.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.88 . . . . 0.64000000000000001 109.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -135.6 -173.21 3.29 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.755 -0.831 . . . . 0.48999999999999999 108.755 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.3 p -150.6 149.96 30.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.093 -1.005 . . . . 0.46999999999999997 108.577 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.1 133.34 26.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.372 -0.83 . . . . 0.41999999999999998 109.666 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.42 128.24 34.65 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.96 -0.756 . . . . 1.8100000000000001 108.96 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.87 114.74 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.442 -0.786 . . . . 0.41999999999999998 109.247 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.37 147.76 39.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.81 . . . . 2.3500000000000001 109.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.78 5.37 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.225 -1.15 . . . . 0.40999999999999998 110.225 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -83.33 -44.36 14.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.442 -1.034 . . . . 2.5899999999999999 109.225 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.54 -46.67 83.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.308 -0.87 . . . . 2.54 109.04 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.83 -43.03 99.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.286 -0.884 . . . . 3.3900000000000001 109.149 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -54.89 -55.66 28.09 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.643 -0.661 . . . . 0.46999999999999997 109.764 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.68 -37.46 50.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.932 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.45 62.98 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.247 -0.908 . . . . 0.60999999999999999 110.302 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -42.7 99.07 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.115 -0.991 . . . . 0.33000000000000002 109.089 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -51.99 -42.55 63.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 3.2799999999999998 109.297 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.91 -51.9 67.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.78 109.839 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.26 -38.3 83.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.38 108.871 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.34 -54.84 42.17 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.468 -0.77 . . . . 1.2 109.658 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -61.87 -34.09 75.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 2.1200000000000001 109.783 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -50.69 72.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.26000000000000001 109.721 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.87 -42.41 99.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.133 -0.98 . . . . 0.40000000000000002 109.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.0899999999999999 108.758 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.76 -41.66 97.96 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.775 -0.824 . . . . 0.75 108.775 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.6 -44.2 97.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.1899999999999999 108.657 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -32.33 66.35 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.191 0.52 . . . . 1.3400000000000001 110.049 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.71999999999999997 109.81 -179.722 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.571 . . . . 1.6699999999999999 109.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -96.38 147.81 23.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.272 -0.892 . . . . 0.60999999999999999 109.927 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.61 -173.3 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.746 -0.835 . . . . 0.56000000000000005 108.746 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.6 p -150.67 149.64 30.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.42999999999999999 108.741 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.6 tp -141.88 133.32 26.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.324 -0.86 . . . . 0.34999999999999998 109.728 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.46 128.22 34.66 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.954 -0.758 . . . . 1.3700000000000001 108.954 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.84 114.79 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.462 -0.774 . . . . 0.47999999999999998 109.266 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.36 147.74 39.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.422 -0.798 . . . . 2.0800000000000001 109.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.01 136.81 5.39 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.207 -1.157 . . . . 0.40000000000000002 110.207 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -83.35 -44.38 14.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.417 -1.049 . . . . 2.6400000000000001 109.235 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -57.5 -46.64 83.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -0.85 . . . . 2.2200000000000002 109.134 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.84 -43.07 99.78 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.362 -0.836 . . . . 2.7400000000000002 109.181 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -54.84 -55.66 27.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.554 -0.716 . . . . 0.42999999999999999 109.758 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -51.68 -37.49 50.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.312 -0.868 . . . . 1.6899999999999999 109.922 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -63.01 -52.4 63.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.275 -0.891 . . . . 0.42999999999999999 110.283 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -42.74 99.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.27000000000000002 109.116 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.98 -42.5 63.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 2.4500000000000002 109.316 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.99 -51.86 67.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 1.75 109.819 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.27 -38.33 83.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.931 . . . . 0.31 108.836 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.32 -54.84 42.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.453 -0.78 . . . . 1.22 109.634 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -61.89 -34.11 75.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 1.73 109.767 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -50.64 72.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.255 -0.903 . . . . 0.28000000000000003 109.769 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.92 -42.43 99.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.31 109.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.52 -40.7 83.66 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.241 -0.912 . . . . 1.9099999999999999 108.824 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.59 -41.73 98.32 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.835 -0.802 . . . . 0.42999999999999999 108.835 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.55 -44.23 97.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 1.5700000000000001 108.738 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.27 66.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.842 -0.536 . . . . 1.4399999999999999 110.034 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.53 82.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 0.64000000000000001 109.768 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.351 -0.843 . . . . 1.21 109.814 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.242 0.544 . . . . 1.7 109.737 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.67 154.42 17.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.208 -0.933 . . . . 0.60999999999999999 109.231 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.91 -175.17 4.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.256 -0.902 . . . . 0.57999999999999996 109.573 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.79 148.36 29.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.296 -0.878 . . . . 0.41999999999999998 108.716 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.5 tp -141.07 133.3 28.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.359 -0.838 . . . . 0.35999999999999999 109.819 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.61 131.38 34.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.757 -0.831 . . . . 1.3700000000000001 108.757 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.1 mt -123.65 110.15 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 CA-C-O 121.642 0.734 . . . . 0.46999999999999997 109.436 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.409 ' C ' ' CD ' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.14 20.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.605 -0.684 . . . . 2.1000000000000001 109.413 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.77 130.75 3.93 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.796 -1.321 . . . . 0.41999999999999998 109.796 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' A' ' 335' ' ' ARG . 19.8 ttt-85 -78.94 -50.38 11.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -1.129 . . . . 2.6800000000000002 109.105 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.64 -45.07 85.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.335 -0.853 . . . . 2.2200000000000002 109.239 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.32 -41.09 98.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.298 -0.876 . . . . 2.77 109.447 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.22 -55.93 25.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 0.42999999999999999 109.944 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.75 -38.32 47.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 110.021 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.121 -0.987 . . . . 0.44 110.519 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.98 98.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.067 -1.021 . . . . 0.28999999999999998 109.295 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.48 -44.6 62.53 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.212 -0.93 . . . . 2.4399999999999999 109.567 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.39 -42.96 99.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 1.74 110.09 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.29 -39.75 91.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.29999999999999999 109.492 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -58.36 -52.71 64.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 1.22 109.824 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.72 -31.53 72.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 1.72 109.777 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.06 -56.26 24.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 0.27000000000000002 110.22 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.16 -39.75 91.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 0.28999999999999998 109.514 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.09 -41.78 88.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.302 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.21 -42.6 96.54 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.391 -0.966 . . . . 0.40999999999999998 108.391 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.303 -0.999 . . . . 1.5600000000000001 108.303 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -32.47 67.27 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.094 -0.706 . . . . 1.4299999999999999 109.094 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.9 65.79 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.335 -0.853 . . . . 0.66000000000000003 109.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 1.1799999999999999 109.218 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.267 0.556 . . . . 1.6100000000000001 109.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -93.71 154.47 17.78 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.235 -0.916 . . . . 0.56999999999999995 109.344 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -138.89 -175.13 4.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.248 -0.907 . . . . 0.53000000000000003 109.512 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.91 148.25 28.89 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.639 -0.875 . . . . 0.38 108.639 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.16 133.26 27.85 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.264 -0.898 . . . . 0.35999999999999999 109.753 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.58 131.35 34.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.754 -0.832 . . . . 1.3600000000000001 108.754 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.5 mt -123.58 110.1 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.491 -0.755 . . . . 0.48999999999999999 109.52 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.411 ' CD ' ' C ' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.16 20.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.643 -0.66 . . . . 2.1000000000000001 109.414 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.8 130.63 3.91 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.823 -1.311 . . . . 0.44 109.823 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 335' ' ' ARG . 20.0 ttt-85 -78.83 -50.33 11.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.298 -1.119 . . . . 2.7200000000000002 109.121 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.68 -45.1 86.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.872 . . . . 2.21 109.245 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.35 -40.94 98.67 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 2.79 109.394 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.25 -55.96 25.41 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.524 -0.735 . . . . 0.45000000000000001 109.96 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -38.38 46.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.038 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.19 -51.95 61.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.165 -0.959 . . . . 0.42999999999999999 110.46 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.94 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.049 -1.032 . . . . 0.28000000000000003 109.218 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.42 -44.74 62.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.244 -0.91 . . . . 2.52 109.575 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.23 -43.11 99.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.75 110.085 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.3 -39.64 91.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.31 109.482 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.45 -52.7 64.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.939 . . . . 1.21 109.729 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -31.53 72.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.6899999999999999 109.806 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.97 -56.42 22.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 0.27000000000000002 110.154 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.14 -39.77 91.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 109.47 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.02 -41.77 88.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.415 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.545 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.21 -42.55 96.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.422 -0.955 . . . . 0.40000000000000002 108.422 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.36 -45.43 88.23 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.325 -0.991 . . . . 1.5900000000000001 108.325 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.66 -32.37 67.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.044 -0.724 . . . . 1.4299999999999999 109.044 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 O-C-N 121.297 -0.877 . . . . 0.65000000000000002 109.252 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.198 0.523 . . . . 2.1099999999999999 109.747 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.59 154.45 17.84 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 109.334 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -138.93 -175.04 4.01 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.309 -0.87 . . . . 0.48999999999999999 109.535 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.88 148.38 29.06 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.638 -0.875 . . . . 0.46999999999999997 108.638 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.25 133.2 27.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.875 . . . . 0.41999999999999998 109.743 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.52 131.34 34.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.746 -0.835 . . . . 1.8100000000000001 108.746 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.59 110.15 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.366 -0.834 . . . . 0.41999999999999998 109.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.403 ' C ' ' CD ' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -75.96 120.16 20.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.612 -0.68 . . . . 2.3500000000000001 109.429 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.82 130.72 3.92 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.758 -1.337 . . . . 0.40999999999999998 109.758 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' C' ' 335' ' ' ARG . 19.9 ttt-85 -78.88 -50.28 11.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.364 -1.08 . . . . 2.5899999999999999 109.09 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.78 -45.1 86.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.309 -0.869 . . . . 2.54 109.153 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.355 -0.841 . . . . 3.3900000000000001 109.475 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.26 -55.92 25.88 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.536 -0.728 . . . . 0.46999999999999997 109.959 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.82 -38.23 47.5 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 1.6599999999999999 110.063 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.25 -51.87 61.5 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.15 -0.969 . . . . 0.60999999999999999 110.473 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.89 98.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.075 -1.015 . . . . 0.33000000000000002 109.307 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.58 -44.6 62.83 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.127 -0.983 . . . . 3.2799999999999998 109.593 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.33 -42.97 99.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.78 110.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.24 -39.79 91.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.38 109.507 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.35 -52.71 64.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 1.2 109.754 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -31.45 72.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.224 -0.923 . . . . 2.1200000000000001 109.786 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.04 -56.32 23.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.89 . . . . 0.26000000000000001 110.2 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.14 -39.72 91.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 0.40000000000000002 109.551 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.16 -41.73 89.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 109.341 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.533 HD23 ' O ' ' C' ' 350' ' ' LEU . 1.3 tt -64.24 -42.49 96.5 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.397 -0.964 . . . . 0.75 108.397 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.39 -45.48 88.26 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.309 -0.997 . . . . 2.1899999999999999 108.309 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.54 -32.51 67.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.068 -0.716 . . . . 1.3400000000000001 109.068 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.371 -0.831 . . . . 0.71999999999999997 109.253 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 121.196 0.522 . . . . 1.6699999999999999 109.694 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -93.69 154.42 17.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.273 -0.892 . . . . 0.60999999999999999 109.241 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -138.86 -175.09 4.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.56000000000000005 109.595 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.4 p -149.92 148.28 28.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.42999999999999999 108.698 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 48.6 tp -141.2 133.17 27.63 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.294 -0.879 . . . . 0.34999999999999998 109.772 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.44 131.29 34.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.792 -0.818 . . . . 1.3700000000000001 108.792 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.63 110.02 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.472 -0.768 . . . . 0.47999999999999998 109.513 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.41 ' CD ' ' C ' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -75.88 120.16 20.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.651 -0.656 . . . . 2.0800000000000001 109.467 179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.87 130.69 3.91 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 109.765 -1.334 . . . . 0.40000000000000002 109.765 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' D' ' 335' ' ' ARG . 19.6 ttt-85 -78.96 -50.28 11.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.354 -1.086 . . . . 2.6400000000000001 109.114 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.61 -45.27 85.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.822 . . . . 2.2200000000000002 109.173 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.372 -0.83 . . . . 2.7400000000000002 109.499 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.23 -55.96 25.35 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.411 -0.805 . . . . 0.42999999999999999 109.929 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.74 -38.4 47.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.6899999999999999 110.047 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.16 -51.81 62.04 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.224 -0.923 . . . . 0.42999999999999999 110.526 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.27000000000000002 109.279 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.54 -44.7 62.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.211 -0.931 . . . . 2.4500000000000002 109.562 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.35 -42.88 99.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 1.75 110.139 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.28 -39.7 91.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.16 -0.963 . . . . 0.31 109.539 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.37 -52.8 64.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 1.22 109.71 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.65 -31.55 72.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.73 109.823 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.99 -56.42 22.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 0.28000000000000003 110.145 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.08 -39.79 91.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.31 109.473 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.14 -41.66 88.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.339 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.547 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.25 -42.59 96.42 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.419 -0.956 . . . . 0.42999999999999999 108.419 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.289 -1.004 . . . . 1.5700000000000001 108.289 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.63 -32.45 67.27 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.055 -0.72 . . . . 1.4399999999999999 109.055 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.95 65.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.64000000000000001 109.299 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 1.21 109.324 179.705 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.342 0.592 . . . . 1.7 109.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.92 152.88 17.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.254 -0.904 . . . . 0.60999999999999999 109.745 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.06 -166.78 1.75 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.533 -0.729 . . . . 0.57999999999999996 109.251 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -151.94 145.69 25.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.939 . . . . 0.41999999999999998 108.896 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.49 137.43 33.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.363 -0.836 . . . . 0.35999999999999999 109.847 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.01 133.52 33.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.909 -0.775 . . . . 1.3700000000000001 108.909 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.36 117.25 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.461 -0.774 . . . . 0.46999999999999997 109.365 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -75.11 151.53 38.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.641 -0.662 . . . . 2.1000000000000001 109.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.91 142.83 4.02 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.49 -1.044 . . . . 0.41999999999999998 110.49 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.35 -48.95 11.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -1.052 . . . . 2.6800000000000002 109.03 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.37 -37.86 73.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.853 . . . . 2.2200000000000002 108.749 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.608 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.15 -43.87 87.57 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.377 -0.827 . . . . 2.77 109.03 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.03 -57.39 12.33 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.642 -0.661 . . . . 0.42999999999999999 109.792 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.58 -39.75 58.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.327 -0.858 . . . . 1.6599999999999999 109.928 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.51 -52.54 60.79 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.146 -0.971 . . . . 0.44 110.184 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.95 -46.07 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.14 -0.975 . . . . 0.28999999999999998 109.13 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.81 -41.43 57.36 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.195 -0.941 . . . . 2.4399999999999999 109.414 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.96 -54.04 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 1.74 109.753 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -38.68 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.172 -0.955 . . . . 0.29999999999999999 108.663 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.24 -55.62 32.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.7 . . . . 1.22 109.474 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.7 -33.67 75.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 1.72 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -51.55 69.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.381 -0.824 . . . . 0.27000000000000002 109.541 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.87 -45.65 92.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.28999999999999998 109.13 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.52 -35.99 73.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 1.9099999999999999 109.175 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.85 75.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 0.40999999999999998 109.198 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.8 -44.4 96.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.37 -0.831 . . . . 1.5600000000000001 108.769 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.78 -32.89 66.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.614 -0.679 . . . . 1.4299999999999999 109.573 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.24 79.25 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.66000000000000003 109.639 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 1.1799999999999999 109.695 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.453 -0.573 . . . . 1.6100000000000001 109.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -94.89 152.83 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.56999999999999995 109.709 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.0 -166.8 1.75 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.589 -0.694 . . . . 0.53000000000000003 109.24 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.92 145.59 24.99 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.192 -0.942 . . . . 0.38 108.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.42 137.46 33.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.402 -0.811 . . . . 0.35999999999999999 109.846 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.0 133.54 33.91 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.912 -0.773 . . . . 1.3600000000000001 108.912 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.42 117.24 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.433 -0.792 . . . . 0.48999999999999999 109.371 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.55 38.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.636 -0.665 . . . . 2.1000000000000001 109.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.86 4.0 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.458 -1.057 . . . . 0.44 110.458 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.31 -48.94 11.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -1.046 . . . . 2.7200000000000002 109.096 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.4 -37.87 73.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.885 . . . . 2.21 108.763 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.609 HH11 ' HB2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.08 -43.9 87.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.336 -0.852 . . . . 2.79 109.097 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.17 -57.31 12.72 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.748 -0.595 . . . . 0.45000000000000001 109.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.44 -39.88 58.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 1.6799999999999999 109.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.48 -52.48 61.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.132 -0.98 . . . . 0.42999999999999999 110.217 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.94 -46.19 90.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.095 -1.003 . . . . 0.28000000000000003 109.093 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.72 -41.43 56.24 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.211 -0.931 . . . . 2.52 109.496 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.97 -54.03 50.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.237 -0.914 . . . . 1.75 109.779 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.93 -38.85 83.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.163 -0.961 . . . . 0.31 108.642 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.22 -55.59 32.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.562 -0.711 . . . . 1.21 109.443 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.61 -33.78 75.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.433 -0.792 . . . . 1.6899999999999999 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.81 -51.58 69.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.313 -0.867 . . . . 0.27000000000000002 109.592 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.79 -45.7 92.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.29999999999999999 109.117 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.47 -36.0 73.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.365 -0.834 . . . . 1.9299999999999999 109.193 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.89 75.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.397 -0.814 . . . . 0.40000000000000002 109.162 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.393 -0.817 . . . . 1.5900000000000001 108.837 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.67 -32.93 65.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.63 -0.668 . . . . 1.4299999999999999 109.554 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.65000000000000002 109.594 -179.782 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.344 0.592 . . . . 2.1099999999999999 109.441 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.86 152.84 18.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.28 -0.888 . . . . 0.64000000000000001 109.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.08 -166.78 1.75 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.589 -0.694 . . . . 0.48999999999999999 109.156 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -151.96 145.58 24.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.205 -0.934 . . . . 0.46999999999999997 108.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -140.4 137.58 34.12 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.442 -0.786 . . . . 0.41999999999999998 109.857 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.11 133.5 33.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.814 -0.81 . . . . 1.8100000000000001 108.814 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -123.42 117.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 121.492 -0.755 . . . . 0.41999999999999998 109.396 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -75.18 151.57 38.49 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.396 0.617 . . . . 2.3500000000000001 109.802 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.92 142.83 4.03 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.466 -1.053 . . . . 0.40999999999999998 110.466 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -81.2 -49.06 11.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.465 -1.02 . . . . 2.5899999999999999 109.087 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.38 -37.85 73.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.24 -0.913 . . . . 2.54 108.752 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.607 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.14 -43.83 87.53 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.394 -0.816 . . . . 3.3900000000000001 109.076 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.2 -57.27 12.9 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.749 -0.594 . . . . 0.46999999999999997 109.801 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -51.52 -39.84 58.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.942 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.56 -52.45 61.0 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.215 -0.928 . . . . 0.60999999999999999 110.234 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.0 -46.05 90.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.067 -1.021 . . . . 0.33000000000000002 109.117 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.79 -41.41 57.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.174 -0.953 . . . . 3.2799999999999998 109.416 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.03 -53.96 51.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 1.78 109.777 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.07 -38.7 83.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.38 108.613 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.3 -55.61 32.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.51 -0.744 . . . . 1.2 109.447 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.51 -33.88 75.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 2.1200000000000001 109.361 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.84 -51.54 69.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.26000000000000001 109.504 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.89 -45.62 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.246 -0.909 . . . . 0.40000000000000002 109.061 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.59 -35.92 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 2.0899999999999999 109.174 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 21.3 tp -63.61 -48.9 75.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 0.75 109.228 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.439 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 14.9 ttmm -62.79 -44.4 96.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.35 -0.844 . . . . 2.1899999999999999 108.812 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.77 -32.87 66.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.69 -0.631 . . . . 1.3400000000000001 109.537 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.71999999999999997 109.672 -179.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.365 0.602 . . . . 1.6699999999999999 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -95.0 152.71 18.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.233 -0.917 . . . . 0.60999999999999999 109.653 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -130.9 -166.73 1.73 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.701 . . . . 0.56000000000000005 109.276 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.95 145.67 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.144 -0.973 . . . . 0.42999999999999999 108.837 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.5 tp -140.47 137.47 33.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.395 -0.816 . . . . 0.34999999999999998 109.855 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.05 133.51 33.89 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.36 117.18 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.485 -0.759 . . . . 0.47999999999999998 109.419 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.6 38.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.666 -0.646 . . . . 2.0800000000000001 109.842 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.79 3.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.536 -1.026 . . . . 0.40000000000000002 110.536 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.21 -48.99 11.33 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -1.051 . . . . 2.6400000000000001 109.124 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.34 -37.88 73.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -0.888 . . . . 2.2200000000000002 108.751 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.609 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.24 -43.78 87.94 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.31 -0.869 . . . . 2.7400000000000002 109.048 179.525 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.16 -57.36 12.53 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.347 0.594 . . . . 0.42999999999999999 109.769 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.49 -39.83 58.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.301 -0.874 . . . . 1.6899999999999999 109.97 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.47 -52.54 60.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.16 -0.962 . . . . 0.42999999999999999 110.222 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.91 -46.21 90.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.022 -1.048 . . . . 0.27000000000000002 109.095 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -50.71 -41.45 56.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.201 -0.937 . . . . 2.4500000000000002 109.444 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.98 -54.04 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 1.75 109.73 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.99 -38.73 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.31 108.61 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.26 -55.66 32.01 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.527 -0.733 . . . . 1.22 109.393 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.439 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 45.0 tt0 -62.69 -33.65 75.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 1.73 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -51.55 69.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.349 -0.844 . . . . 0.28000000000000003 109.593 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 50.5 mt -61.92 -45.65 92.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.31 109.061 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.47 -35.96 72.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.297 -0.877 . . . . 1.9099999999999999 109.219 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.63 -48.85 75.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.41 -0.806 . . . . 0.42999999999999999 109.222 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.413 -0.804 . . . . 1.5700000000000001 108.839 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.68 -32.96 65.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.713 -0.617 . . . . 1.4399999999999999 109.531 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.18 79.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.629 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 1.21 109.632 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.152 0.501 . . . . 1.7 109.654 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -98.26 153.32 18.58 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.207 -0.933 . . . . 0.60999999999999999 109.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -141.2 139.0 33.75 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.705 -0.85 . . . . 0.57999999999999996 108.705 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -98.98 161.58 13.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.438 -0.789 . . . . 0.41999999999999998 109.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.09 132.76 17.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.063 -1.023 . . . . 0.35999999999999999 110.157 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.67 127.16 34.42 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.722 -0.844 . . . . 1.3700000000000001 108.722 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.65 109.29 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.474 -0.766 . . . . 0.46999999999999997 109.391 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.53 152.2 39.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.397 -0.814 . . . . 2.1000000000000001 109.518 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.8 130.2 4.9 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.954 -1.258 . . . . 0.41999999999999998 109.954 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.491 ' NH1' ' OE2' ' A' ' 339' ' ' GLU . 1.3 tmt_? -73.7 -48.69 30.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.43 -1.041 . . . . 2.6800000000000002 109.458 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 2.2200000000000002 109.21 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.571 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -55.59 -42.57 74.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.364 -0.835 . . . . 2.77 109.922 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -54.53 -57.95 9.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.569 -0.707 . . . . 0.42999999999999999 110.128 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.491 ' OE2' ' NH1' ' A' ' 335' ' ' ARG . 44.7 mt-10 -50.44 -41.37 52.57 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 110.093 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.22 48.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 0.44 110.737 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.01 -47.91 82.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.952 -1.093 . . . . 0.28999999999999998 109.12 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.61 -43.33 62.49 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.215 -0.928 . . . . 2.4399999999999999 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.66 -43.95 97.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.121 -0.987 . . . . 1.74 109.963 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.29 -43.94 98.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.29999999999999999 109.443 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -58.78 -49.36 77.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.198 -0.939 . . . . 1.22 109.673 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.73 98.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.875 . . . . 1.72 110.1 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.82 -56.26 24.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.27000000000000002 109.986 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.09 -42.18 98.03 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.28999999999999998 109.531 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.51 -34.17 73.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.482 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.27 -50.26 68.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.40999999999999998 109.395 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -63.0 -45.96 89.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.342 -0.849 . . . . 1.5600000000000001 108.971 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -57.62 -38.11 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.631 -0.668 . . . . 1.4299999999999999 109.755 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.65 71.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.66000000000000003 109.922 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.37 -0.831 . . . . 1.1799999999999999 109.8 -179.713 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.23 0.538 . . . . 1.6100000000000001 109.676 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -98.33 153.34 18.61 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.179 -0.951 . . . . 0.56999999999999995 109.919 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -141.17 139.05 33.81 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.756 -0.831 . . . . 0.53000000000000003 108.756 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -99.1 161.51 13.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.808 . . . . 0.38 109.046 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.7 tp -148.0 132.85 18.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.35999999999999999 110.106 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.76 127.12 34.46 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.644 -0.873 . . . . 1.3600000000000001 108.644 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.7 109.48 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.507 -0.746 . . . . 0.48999999999999999 109.363 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.59 152.17 39.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.389 -0.819 . . . . 2.1000000000000001 109.536 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.76 130.35 4.93 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.928 -1.269 . . . . 0.44 109.928 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' B' ' 339' ' ' GLU . 1.3 tmt_? -73.82 -48.66 29.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 2.7200000000000002 109.418 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.29 -41.65 80.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 2.21 109.203 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -55.51 -42.7 74.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.477 -0.764 . . . . 2.79 109.832 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.51 -57.89 9.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.525 -0.734 . . . . 0.45000000000000001 110.096 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' B' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.32 53.49 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.293 -0.879 . . . . 1.6799999999999999 110.01 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.17 -53.26 47.65 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.163 -0.96 . . . . 0.42999999999999999 110.7 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.97 -47.89 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.056 -1.028 . . . . 0.28000000000000003 109.108 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.68 -43.27 62.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.271 -0.893 . . . . 2.52 109.5 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.79 -43.85 97.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 1.75 109.903 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.36 -43.8 98.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 0.31 109.483 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.96 -49.25 78.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.297 -0.877 . . . . 1.21 109.579 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.21 -40.88 98.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 110.049 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.75 -56.23 24.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.27000000000000002 110.016 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.13 -42.21 98.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.286 -0.884 . . . . 0.29999999999999999 109.48 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.43 -34.24 73.68 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.23 -0.919 . . . . 1.9299999999999999 109.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.26 -50.22 68.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.907 . . . . 0.40000000000000002 109.408 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.0 -45.94 90.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.289 -0.882 . . . . 1.5900000000000001 108.987 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -57.6 -38.11 74.35 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.751 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.65000000000000002 109.9 -179.616 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.176 0.512 . . . . 2.1099999999999999 109.634 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.28 153.24 18.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.176 -0.953 . . . . 0.64000000000000001 109.928 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -141.14 139.15 33.88 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.725 -0.843 . . . . 0.48999999999999999 108.725 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -99.03 161.66 13.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.46 -0.775 . . . . 0.46999999999999997 108.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.08 132.82 17.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.114 -0.991 . . . . 0.41999999999999998 110.113 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.66 127.11 34.4 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.732 -0.84 . . . . 1.8100000000000001 108.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.64 109.42 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.456 -0.778 . . . . 0.41999999999999998 109.352 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 2.3500000000000001 109.531 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.71 130.32 4.91 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.951 -1.26 . . . . 0.40999999999999998 109.951 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' C' ' 339' ' ' GLU . 1.3 tmt_? -73.85 -48.67 29.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -1.092 . . . . 2.5899999999999999 109.434 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.28 -41.54 79.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 2.54 109.202 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.577 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -55.68 -42.59 75.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.389 -0.82 . . . . 3.3900000000000001 109.897 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -54.54 -57.85 9.76 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.469 -0.769 . . . . 0.46999999999999997 110.162 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' C' ' 335' ' ' ARG . 44.7 mt-10 -50.49 -41.41 53.23 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.292 -0.88 . . . . 1.6599999999999999 110.043 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.3 47.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.174 -0.954 . . . . 0.60999999999999999 110.677 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.91 -47.92 82.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.98 -1.075 . . . . 0.33000000000000002 109.098 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.69 -43.23 62.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.885 . . . . 3.2799999999999998 109.572 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.8 -43.78 97.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 1.78 109.959 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.42 -43.8 98.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.38 109.486 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.87 -49.35 78.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.265 -0.897 . . . . 1.2 109.585 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.22 -40.77 98.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.885 . . . . 2.1200000000000001 110.048 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.89 -56.14 25.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.298 -0.876 . . . . 0.26000000000000001 110.029 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.408 HD13 ' HE ' ' A' ' 337' ' ' ARG . 29.3 mt -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.40000000000000002 109.524 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.6 -34.1 73.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.171 -0.955 . . . . 2.0899999999999999 109.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.3 -50.32 68.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.75 109.351 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.92 -46.02 89.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.33 -0.856 . . . . 2.1899999999999999 109.025 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -57.54 -38.03 74.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.838 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.71999999999999997 109.866 -179.63 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.179 0.514 . . . . 1.6699999999999999 109.627 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -98.28 153.26 18.64 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.236 -0.915 . . . . 0.60999999999999999 109.95 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.1 139.17 33.95 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.666 -0.864 . . . . 0.56000000000000005 108.666 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -99.09 161.59 13.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.387 -0.821 . . . . 0.42999999999999999 108.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -148.04 132.84 17.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.34999999999999998 110.159 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.75 127.15 34.46 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.672 -0.862 . . . . 1.3700000000000001 108.672 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.55 109.43 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.432 -0.792 . . . . 0.47999999999999998 109.367 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -74.6 152.12 39.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.8 . . . . 2.0800000000000001 109.539 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.85 130.3 4.95 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.889 -1.284 . . . . 0.40000000000000002 109.889 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' D' ' 339' ' ' GLU . 1.3 tmt_? -73.89 -48.66 29.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -1.066 . . . . 2.6400000000000001 109.424 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.127 -0.983 . . . . 2.2200000000000002 109.212 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -55.58 -42.62 75.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.497 -0.752 . . . . 2.7400000000000002 109.916 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -54.49 -57.91 9.53 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.543 -0.723 . . . . 0.42999999999999999 110.113 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' D' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.36 53.55 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.36 -0.837 . . . . 1.6899999999999999 110.005 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.11 -53.16 49.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.069 -1.019 . . . . 0.42999999999999999 110.783 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.09 -47.77 83.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.051 -1.031 . . . . 0.27000000000000002 109.069 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.76 -43.31 62.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.363 -0.835 . . . . 2.4500000000000002 109.511 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.62 -44.03 96.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 1.75 109.973 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.177 -0.952 . . . . 0.31 109.511 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.85 -49.42 77.8 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.22 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.72 98.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.873 . . . . 1.73 110.118 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.91 -56.18 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.236 -0.915 . . . . 0.28000000000000003 109.962 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.31 109.49 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.33 -34.3 73.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 1.9099999999999999 109.498 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.19 -50.27 68.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.389 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.02 -45.91 90.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.374 -0.829 . . . . 1.5700000000000001 109.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -57.62 -38.0 74.23 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.636 -0.665 . . . . 1.4399999999999999 109.852 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.58 71.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.64000000000000001 109.86 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.21 109.806 -179.657 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.252 0.549 . . . . 1.7 109.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -97.12 158.75 15.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.332 -0.855 . . . . 0.60999999999999999 109.574 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.07 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.384 -0.823 . . . . 0.57999999999999996 109.112 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.68 150.07 29.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.14 -0.975 . . . . 0.41999999999999998 109.371 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -142.18 133.47 26.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.35999999999999999 109.634 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.15 131.83 34.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.974 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.54 114.48 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.477 -0.764 . . . . 0.46999999999999997 109.098 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.88 150.53 39.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.056 -0.72 . . . . 2.1000000000000001 109.056 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 88.55 126.74 2.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.28 -1.128 . . . . 0.41999999999999998 110.28 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.523 ' CG ' HH11 ' A' ' 335' ' ' ARG . 1.2 ttt-85 -71.89 -52.21 18.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 2.6800000000000002 109.132 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.47 -37.07 72.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.366 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.27 -41.21 97.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.311 -0.868 . . . . 2.77 109.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.25 -50.64 70.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.42999999999999999 109.673 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -52.12 -40.04 60.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 1.6599999999999999 109.985 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.39 -52.49 64.39 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.205 -0.935 . . . . 0.44 110.191 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.63 -44.69 96.06 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 108.931 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.6 -40.32 59.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.258 -0.901 . . . . 2.4399999999999999 109.299 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.14 -53.46 57.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.74 109.656 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.75 -38.05 80.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.93 . . . . 0.29999999999999999 108.542 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.09 -54.59 45.28 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.427 -0.796 . . . . 1.22 109.298 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.417 -0.802 . . . . 1.72 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -55.01 38.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.27000000000000002 109.621 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.9 -44.19 97.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.298 -0.876 . . . . 0.28999999999999998 109.421 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.58 -36.04 77.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.481 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.92 -48.44 76.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.40999999999999998 109.529 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.83 -43.53 98.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 1.5600000000000001 109.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.8 -35.16 68.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.56 -0.713 . . . . 1.4299999999999999 109.529 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.93 80.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.66000000000000003 109.932 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.525 HE22 HD11 ' B' ' 350' ' ' LEU . 71.3 mt-30 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.185 -0.947 . . . . 1.1799999999999999 109.731 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.263 0.554 . . . . 1.6100000000000001 109.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -97.15 158.62 15.35 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.326 -0.858 . . . . 0.56999999999999995 109.617 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.99 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.344 -0.847 . . . . 0.53000000000000003 109.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -151.64 150.08 29.86 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.015 -1.053 . . . . 0.38 109.359 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -142.17 133.53 26.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.394 -0.816 . . . . 0.35999999999999999 109.594 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.24 131.78 34.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.459 -0.775 . . . . 1.3600000000000001 108.983 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.44 114.48 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.467 -0.771 . . . . 0.48999999999999999 109.131 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.589 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.54 39.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.499 -0.751 . . . . 2.1000000000000001 109.13 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 88.54 126.85 2.71 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.232 -1.147 . . . . 0.44 110.232 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.517 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.2 ttt-85 -72.08 -52.12 18.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.463 -1.022 . . . . 2.7200000000000002 109.173 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.41 -37.15 72.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 2.21 109.402 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.27 -41.19 97.03 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.334 -0.854 . . . . 2.79 109.179 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.26 -50.54 71.07 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.506 -0.746 . . . . 0.45000000000000001 109.772 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.404 -0.81 . . . . 1.6799999999999999 110.017 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.44 -52.55 64.08 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 0.42999999999999999 110.084 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.62 -44.76 95.96 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.116 -0.99 . . . . 0.28000000000000003 108.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.47 -40.54 59.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.285 -0.884 . . . . 2.52 109.25 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -60.04 -53.47 57.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.75 109.676 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.77 -37.93 80.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.31 108.651 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.23 -54.55 45.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.78 . . . . 1.21 109.288 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.463 -0.773 . . . . 1.6899999999999999 109.486 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.64 -54.98 38.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.27000000000000002 109.597 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.9 -44.38 97.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.336 -0.853 . . . . 0.29999999999999999 109.419 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.42 -36.09 77.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.89 . . . . 1.9299999999999999 109.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.525 HD11 HE22 ' A' ' 354' ' ' GLN . 50.0 tp -63.9 -48.42 76.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.923 . . . . 0.40000000000000002 109.548 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.79 -43.56 98.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.844 . . . . 1.5900000000000001 109.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.71 -35.3 68.36 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.508 -0.745 . . . . 1.4299999999999999 109.562 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.65000000000000002 109.903 -179.646 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.334 0.588 . . . . 2.1099999999999999 109.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -97.14 158.77 15.28 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.204 -0.935 . . . . 0.64000000000000001 109.521 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.08 -171.14 2.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.371 -0.831 . . . . 0.48999999999999999 109.131 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.65 150.12 29.9 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.159 -0.963 . . . . 0.46999999999999997 109.354 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -142.25 133.48 26.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.395 -0.816 . . . . 0.41999999999999998 109.628 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.14 131.83 34.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.397 -0.814 . . . . 1.8100000000000001 109.041 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.47 114.38 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 109.111 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.83 150.61 39.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.504 -0.747 . . . . 2.3500000000000001 109.107 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 88.47 126.8 2.68 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.257 -1.137 . . . . 0.40999999999999998 110.257 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.2 ttt-85 -71.98 -52.14 18.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -1.026 . . . . 2.5899999999999999 109.23 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.45 -37.1 72.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 2.54 109.36 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.34 -41.1 96.95 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.296 -0.877 . . . . 3.3900000000000001 109.144 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.41 -50.51 71.39 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.482 -0.761 . . . . 0.46999999999999997 109.713 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.97 60.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 1.6599999999999999 110.037 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.42 -52.43 64.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.272 -0.892 . . . . 0.60999999999999999 110.142 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.086 -1.009 . . . . 0.33000000000000002 108.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -51.47 -40.54 59.69 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.276 -0.89 . . . . 3.2799999999999998 109.283 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.99 -53.51 57.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 1.78 109.642 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.8 -37.95 80.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.245 -0.91 . . . . 0.38 108.607 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.11 -54.58 45.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.435 -0.791 . . . . 1.2 109.386 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.54 -33.36 74.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.444 -0.785 . . . . 2.1200000000000001 109.566 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.64 -54.9 39.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.878 . . . . 0.26000000000000001 109.677 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.95 -44.38 97.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.40000000000000002 109.413 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.35 -36.08 77.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.576 HD11 HE22 ' D' ' 354' ' ' GLN . 49.9 tp -63.95 -48.38 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.75 109.562 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.86 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.361 -0.837 . . . . 2.1899999999999999 109.013 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.74 -35.17 68.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.557 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.71999999999999997 109.936 -179.622 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.245 0.545 . . . . 1.6699999999999999 109.944 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -97.13 158.81 15.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.312 -0.867 . . . . 0.60999999999999999 109.564 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.18 -171.25 2.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.342 -0.849 . . . . 0.56000000000000005 109.105 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.61 150.17 29.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.122 -0.986 . . . . 0.42999999999999999 109.333 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -142.21 133.4 26.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.346 -0.846 . . . . 0.34999999999999998 109.691 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -87.07 131.86 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.079 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.54 114.43 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.346 -0.846 . . . . 0.47999999999999998 109.167 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.52 39.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.517 -0.739 . . . . 2.0800000000000001 109.109 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 88.55 126.71 2.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.24 -1.144 . . . . 0.40000000000000002 110.24 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.528 ' CG ' HH11 ' D' ' 335' ' ' ARG . 1.2 ttt-85 -71.95 -52.12 18.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.438 -1.036 . . . . 2.6400000000000001 109.183 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.48 -37.08 72.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.37 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.35 -41.14 96.9 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.339 -0.851 . . . . 2.7400000000000002 109.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.33 -50.45 71.43 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.541 -0.724 . . . . 0.42999999999999999 109.705 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.29 -40.0 61.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.29 -52.56 64.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.204 -0.935 . . . . 0.42999999999999999 110.17 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.67 -44.71 96.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.081 -1.012 . . . . 0.27000000000000002 108.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.48 -40.52 59.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.277 -0.89 . . . . 2.4500000000000002 109.299 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.97 -53.58 56.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.75 109.667 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.72 -38.03 80.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 0.31 108.543 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.06 -54.61 45.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 1.22 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -62.55 -33.52 75.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.382 -0.824 . . . . 1.73 109.458 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.59 -54.95 39.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.315 -0.866 . . . . 0.28000000000000003 109.608 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.0 -44.15 97.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 0.31 109.472 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.59 -36.08 77.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.45 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.84 -48.35 77.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 109.597 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.86 -43.61 98.33 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -0.844 . . . . 1.5700000000000001 109.069 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.72 -35.22 68.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.612 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.11 81.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -0.88 . . . . 0.64000000000000001 109.939 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.576 HE22 HD11 ' C' ' 350' ' ' LEU . 71.3 mt-30 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.207 -0.933 . . . . 1.21 109.744 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.262 0.553 . . . . 1.7 109.632 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.81 154.95 17.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.326 -0.859 . . . . 0.60999999999999999 109.244 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -136.95 -172.33 3.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.323 -0.861 . . . . 0.57999999999999996 109.445 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -150.43 152.17 33.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.303 -0.999 . . . . 0.41999999999999998 108.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.0 133.88 22.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.35999999999999999 109.783 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.13 129.17 34.85 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.612 -0.884 . . . . 1.3700000000000001 108.612 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -123.59 110.61 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.472 -0.767 . . . . 0.46999999999999997 109.278 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.12 147.68 40.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.67 -0.644 . . . . 2.1000000000000001 109.702 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.38 2.44 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.972 -1.251 . . . . 0.41999999999999998 109.972 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.463 HH11 ' HG3' ' A' ' 335' ' ' ARG . 9.7 ttm-85 -71.22 -43.08 68.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -1.106 . . . . 2.6800000000000002 109.258 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.347 -0.846 . . . . 2.2200000000000002 109.63 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.59 -39.79 95.29 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.2 -0.938 . . . . 2.77 109.56 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -54.44 -54.4 41.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.393 -0.817 . . . . 0.42999999999999999 109.769 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.91 -40.62 61.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.687 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.28 -52.96 59.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.346 -0.846 . . . . 0.44 110.36 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.28999999999999998 109.15 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.94 -35.78 47.04 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.324 -0.86 . . . . 2.4399999999999999 109.448 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.54 -48.74 79.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.086 -1.009 . . . . 1.74 109.658 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.3 -37.4 80.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.29999999999999999 108.664 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.12 -57.35 13.22 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 1.22 109.506 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -63.16 -35.48 80.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.409 -0.807 . . . . 1.72 109.568 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.08 -54.35 48.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.27000000000000002 109.966 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.12 -44.28 97.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.134 -0.979 . . . . 0.28999999999999998 109.388 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.55 -35.86 75.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.347 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.02 -48.82 74.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 0.40999999999999998 109.344 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.51 -48.01 79.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.359 -0.838 . . . . 1.5600000000000001 108.985 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.95 -32.07 69.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.669 -0.644 . . . . 1.4299999999999999 109.571 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.26 77.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.66000000000000003 109.979 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.51 HE22 HD11 ' B' ' 350' ' ' LEU . 28.8 mt-30 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.681 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.3 0.571 . . . . 1.6100000000000001 109.583 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -93.77 154.93 17.5 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.282 -0.886 . . . . 0.56999999999999995 109.267 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -136.88 -172.27 3.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.53000000000000003 109.397 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.0 p -150.37 152.38 34.3 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.247 -1.02 . . . . 0.38 108.247 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.12 133.67 22.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 0.35999999999999999 109.82 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.96 129.17 34.84 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.9 mt -123.67 110.64 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.507 -0.746 . . . . 0.48999999999999999 109.248 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.9 ttt-85 -75.13 147.61 40.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.618 -0.676 . . . . 2.1000000000000001 109.695 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.24 124.45 2.46 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.992 -1.243 . . . . 0.44 109.992 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' B' ' 335' ' ' ARG . 9.6 ttm-85 -71.36 -42.94 67.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -1.14 . . . . 2.7200000000000002 109.276 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.77 -45.78 89.0 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.331 -0.856 . . . . 2.21 109.566 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.55 -39.88 95.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.233 -0.917 . . . . 2.79 109.525 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.4 -54.43 40.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.485 -0.76 . . . . 0.45000000000000001 109.75 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.89 -40.65 61.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.6799999999999999 109.734 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.27 -52.92 60.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.267 -0.896 . . . . 0.42999999999999999 110.356 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.51 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.168 -0.957 . . . . 0.28000000000000003 109.135 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.93 -35.78 46.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 2.52 109.448 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.59 -48.84 79.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.75 109.609 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.25 -37.33 80.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.275 -0.891 . . . . 0.31 108.697 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.17 -57.34 13.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.506 -0.746 . . . . 1.21 109.478 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.22 -35.45 80.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.47 -0.769 . . . . 1.6899999999999999 109.565 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.04 -54.43 47.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.375 -0.828 . . . . 0.27000000000000002 109.984 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.07 -44.23 97.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.515 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.63 -35.75 74.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.233 -0.917 . . . . 1.9299999999999999 109.328 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.51 HD11 HE22 ' A' ' 354' ' ' GLN . 32.9 tp -64.15 -48.88 74.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.271 -0.893 . . . . 0.40000000000000002 109.288 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.41 -47.91 80.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 1.5900000000000001 108.983 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.99 -32.04 69.33 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.592 -0.693 . . . . 1.4299999999999999 109.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.858 . . . . 0.65000000000000002 109.939 -179.504 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.283 0.563 . . . . 2.1099999999999999 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -93.83 154.86 17.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.22 -0.925 . . . . 0.64000000000000001 109.313 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -136.89 -172.32 3.15 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.48999999999999999 109.392 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -150.48 152.19 33.85 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.294 -1.002 . . . . 0.46999999999999997 108.294 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.3 tp -144.99 133.75 22.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.41999999999999998 109.813 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.99 129.2 34.84 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.62 -0.881 . . . . 1.8100000000000001 108.62 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.73 110.61 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-O 121.676 0.75 . . . . 0.41999999999999998 109.231 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -75.12 147.71 40.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.548 -0.72 . . . . 2.3500000000000001 109.745 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 124.38 2.42 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.982 -1.247 . . . . 0.40999999999999998 109.982 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.456 HH11 ' HG3' ' C' ' 335' ' ' ARG . 9.6 ttm-85 -71.27 -42.89 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -1.143 . . . . 2.5899999999999999 109.339 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.78 -45.8 88.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.367 -0.833 . . . . 2.54 109.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -63.61 -39.81 95.3 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.237 -0.915 . . . . 3.3900000000000001 109.47 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.46 -54.42 41.14 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.462 -0.774 . . . . 0.46999999999999997 109.742 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.89 -40.66 61.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 1.6599999999999999 109.723 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.26 -52.95 60.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.302 -0.874 . . . . 0.60999999999999999 110.352 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.13 -53.78 52.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.005 . . . . 0.33000000000000002 109.117 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -52.05 -35.74 48.24 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.281 -0.887 . . . . 3.2799999999999998 109.391 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.61 -48.73 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.78 109.646 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.36 -37.27 80.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.38 108.666 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.19 -57.32 13.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.556 -0.715 . . . . 1.2 109.489 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -63.17 -35.48 80.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 2.1200000000000001 109.568 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -54.45 46.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.26000000000000001 109.952 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.03 -44.29 97.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.195 -0.94 . . . . 0.40000000000000002 109.494 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.53 -35.83 74.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.0899999999999999 109.326 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.497 HD11 HE22 ' D' ' 354' ' ' GLN . 33.0 tp -64.1 -48.9 74.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.75 109.321 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.93 79.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 108.975 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.95 -32.05 69.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.678 -0.639 . . . . 1.3400000000000001 109.631 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.316 -0.865 . . . . 0.71999999999999997 109.997 -179.52 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.206 0.527 . . . . 1.6699999999999999 109.644 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.81 155.01 17.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.311 -0.868 . . . . 0.60999999999999999 109.269 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -137.03 -172.3 3.15 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.275 -0.89 . . . . 0.56000000000000005 109.415 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 36.9 p -150.44 152.23 33.98 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.274 -1.01 . . . . 0.42999999999999999 108.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.08 133.76 22.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.115 -0.991 . . . . 0.34999999999999998 109.783 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.06 129.2 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 1.3700000000000001 108.611 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.65 110.68 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.488 -0.757 . . . . 0.47999999999999998 109.263 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.22 147.73 40.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.628 -0.67 . . . . 2.0800000000000001 109.686 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.25 124.38 2.45 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.885 -1.286 . . . . 0.40000000000000002 109.885 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.446 HH11 ' HG3' ' D' ' 335' ' ' ARG . 9.7 ttm-85 -71.23 -42.94 68.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -1.196 . . . . 2.6400000000000001 109.332 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.76 -45.66 89.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 2.2200000000000002 109.619 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.7 -39.81 95.22 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.235 -0.916 . . . . 2.7400000000000002 109.525 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.41 -54.37 41.65 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.447 -0.783 . . . . 0.42999999999999999 109.779 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.97 -40.59 61.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.246 -0.909 . . . . 1.6899999999999999 109.715 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -63.4 -52.81 60.05 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 110.306 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.24 -53.75 52.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.117 -0.989 . . . . 0.27000000000000002 109.169 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.96 -35.8 47.31 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.278 -0.889 . . . . 2.4500000000000002 109.42 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -61.56 -48.73 79.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.156 -0.965 . . . . 1.75 109.649 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.32 -37.27 80.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.31 108.724 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.13 -57.41 12.98 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 1.22 109.432 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.21 -35.47 80.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.375 -0.828 . . . . 1.73 109.539 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.06 -54.39 47.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.859 . . . . 0.28000000000000003 109.939 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.17 -44.06 97.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.235 -0.915 . . . . 0.31 109.538 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -35.9 75.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.9099999999999999 109.313 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.06 -48.94 74.27 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.291 -0.88 . . . . 0.42999999999999999 109.308 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.2 ttmp? -63.46 -47.97 79.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.362 -0.836 . . . . 1.5700000000000001 108.959 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.88 -32.17 69.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.641 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.1 77.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.974 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.497 HE22 HD11 ' C' ' 350' ' ' LEU . 28.8 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.876 . . . . 1.21 109.573 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.458 -0.571 . . . . 1.7 109.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -93.82 158.46 15.65 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.287 -0.883 . . . . 0.60999999999999999 109.644 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.83 -169.22 2.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.463 -0.773 . . . . 0.57999999999999996 109.286 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.86 149.93 29.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 0.41999999999999998 108.86 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -143.24 134.35 25.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.867 . . . . 0.35999999999999999 109.412 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.9 132.72 34.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.677 -0.861 . . . . 1.3700000000000001 108.677 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.12 113.71 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.464 -0.772 . . . . 0.46999999999999997 109.488 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -74.96 143.41 43.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 2.1000000000000001 109.827 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.34 137.76 7.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.031 -1.227 . . . . 0.41999999999999998 110.031 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.513 ' HG2' HH11 ' A' ' 335' ' ' ARG . 1.3 ttt-85 -82.67 -44.69 15.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.395 -1.062 . . . . 2.6800000000000002 109.148 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.85 -43.01 85.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.343 -0.848 . . . . 2.2200000000000002 109.379 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.34 -40.62 97.81 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.28 -0.887 . . . . 2.77 109.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.92 -54.6 42.8 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.481 -0.762 . . . . 0.42999999999999999 109.767 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.94 -38.74 57.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.818 . . . . 1.6599999999999999 109.855 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.56 -51.61 66.7 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.271 -0.893 . . . . 0.44 110.211 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.18 -43.82 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.28999999999999998 109.013 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -51.98 -42.7 63.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.218 -0.926 . . . . 2.4399999999999999 109.422 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.73 -53.32 59.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.887 . . . . 1.74 109.789 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.44 -35.59 76.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.121 -0.987 . . . . 0.29999999999999999 108.694 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.06 -55.62 32.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.401 -0.812 . . . . 1.22 109.45 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.306 -0.871 . . . . 1.72 109.609 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.6 -52.69 64.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.27000000000000002 110.021 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.129 -0.982 . . . . 0.28999999999999998 109.364 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.37 -35.68 74.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.211 -0.931 . . . . 1.9099999999999999 109.429 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -63.69 -51.28 65.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.372 -0.83 . . . . 0.40999999999999998 109.139 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.8 -46.06 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.811 . . . . 1.5600000000000001 109.181 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.68 -33.84 68.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.603 -0.686 . . . . 1.4299999999999999 109.706 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.97 84.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.87 . . . . 0.66000000000000003 109.782 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 1.1799999999999999 109.667 -179.754 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.298 0.57 . . . . 1.6100000000000001 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.84 158.28 15.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.223 -0.923 . . . . 0.56999999999999995 109.791 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.65 -169.14 2.4 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.53000000000000003 109.318 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.85 150.05 29.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.38 108.793 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -143.25 134.38 25.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.267 -0.896 . . . . 0.35999999999999999 109.414 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.89 132.74 34.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.2 113.7 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.493 -0.754 . . . . 0.48999999999999999 109.383 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.12 143.39 43.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 2.1000000000000001 109.789 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.38 137.85 7.1 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.048 -1.221 . . . . 0.44 110.048 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.517 ' HG2' HH11 ' B' ' 335' ' ' ARG . 1.4 ttt-85 -82.67 -44.74 15.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -1.035 . . . . 2.7200000000000002 109.2 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.87 -43.13 85.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 2.21 109.28 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.19 -40.63 98.06 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.293 -0.879 . . . . 2.79 109.409 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -55.93 -54.59 42.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.445 -0.784 . . . . 0.45000000000000001 109.762 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.95 -38.7 57.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 1.6799999999999999 109.806 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.57 -51.7 66.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.185 -0.947 . . . . 0.42999999999999999 110.093 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.17 -43.8 98.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.106 -0.996 . . . . 0.28000000000000003 109.053 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.95 -42.69 63.07 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.259 -0.901 . . . . 2.52 109.442 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.72 -53.31 59.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.75 109.793 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.48 -35.49 76.02 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.166 -0.959 . . . . 0.31 108.749 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.17 -55.59 33.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.425 -0.797 . . . . 1.21 109.411 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.8 -33.01 74.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.36 -0.838 . . . . 1.6899999999999999 109.624 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.6 -52.73 64.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 0.27000000000000002 110.008 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.38 -44.74 96.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 0.29999999999999999 109.395 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -59.31 -35.75 74.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.9299999999999999 109.415 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -63.63 -51.38 65.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.40000000000000002 109.181 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.68 -46.11 91.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.442 -0.786 . . . . 1.5900000000000001 109.137 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.67 -33.81 68.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.678 -0.639 . . . . 1.4299999999999999 109.695 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.9 . . . . 0.65000000000000002 109.788 -179.618 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.507 -0.553 . . . . 2.1099999999999999 109.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -93.75 158.36 15.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.325 -0.86 . . . . 0.64000000000000001 109.723 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -136.74 -169.16 2.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.48999999999999999 109.311 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.91 150.05 29.62 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -0.903 . . . . 0.46999999999999997 108.761 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -143.3 134.38 25.67 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.291 -0.881 . . . . 0.41999999999999998 109.384 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 132.77 34.0 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.604 -0.888 . . . . 1.8100000000000001 108.604 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.13 113.65 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.493 -0.755 . . . . 0.41999999999999998 109.489 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.07 143.42 43.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 2.3500000000000001 109.75 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.86 7.04 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.037 -1.225 . . . . 0.40999999999999998 110.037 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HG2' HH11 ' C' ' 335' ' ' ARG . 1.4 ttt-85 -82.73 -44.75 15.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.406 -1.055 . . . . 2.5899999999999999 109.168 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.76 -43.15 85.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.54 109.338 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.31 -40.65 97.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.229 -0.92 . . . . 3.3900000000000001 109.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.81 -54.63 42.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.46 -0.775 . . . . 0.46999999999999997 109.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.97 -38.58 57.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.295 -0.878 . . . . 1.6599999999999999 109.866 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttp -62.67 -51.61 66.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.279 -0.888 . . . . 0.60999999999999999 110.154 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -43.72 98.43 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.15 -0.969 . . . . 0.33000000000000002 109.028 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.07 -42.66 63.34 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.228 -0.92 . . . . 3.2799999999999998 109.439 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.77 -53.26 60.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 1.78 109.744 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.44 -35.6 76.22 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.38 108.722 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.08 -55.63 32.64 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.409 -0.807 . . . . 1.2 109.387 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 2.1200000000000001 109.621 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -52.74 64.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.26000000000000001 109.975 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.8 mt -61.49 -44.7 96.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.40000000000000002 109.334 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.29 -35.81 74.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 2.0899999999999999 109.348 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.9 tt -63.65 -51.31 65.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.75 109.134 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.83 -46.02 91.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.31 -0.869 . . . . 2.1899999999999999 109.139 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.71 -33.78 68.78 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.603 -0.686 . . . . 1.3400000000000001 109.742 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.71999999999999997 109.78 -179.695 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.474 -0.565 . . . . 1.6699999999999999 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -93.63 158.41 15.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.283 -0.886 . . . . 0.60999999999999999 109.803 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -136.79 -169.14 2.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.393 -0.817 . . . . 0.56000000000000005 109.336 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.99 149.86 29.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.259 -0.901 . . . . 0.42999999999999999 108.748 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -143.13 134.43 26.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.874 . . . . 0.34999999999999998 109.479 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -86.04 132.75 33.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.12 113.68 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.474 -0.766 . . . . 0.47999999999999998 109.452 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.01 143.38 43.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 2.0800000000000001 109.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.35 137.77 7.04 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.026 -1.23 . . . . 0.40000000000000002 110.026 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.524 ' HG2' HH11 ' D' ' 335' ' ' ARG . 1.4 ttt-85 -82.56 -44.83 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.447 -1.031 . . . . 2.6400000000000001 109.153 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.82 -43.04 85.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -0.849 . . . . 2.2200000000000002 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.37 -40.59 97.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.301 -0.874 . . . . 2.7400000000000002 109.336 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -55.93 -54.61 42.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.747 . . . . 0.42999999999999999 109.835 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.81 -38.77 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 109.903 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.55 -51.69 66.39 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 110.141 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.15 -43.81 98.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.1 -1.0 . . . . 0.27000000000000002 108.96 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.0 -42.6 63.12 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.28 -0.888 . . . . 2.4500000000000002 109.538 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.83 -53.24 60.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 1.75 109.804 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.48 -35.55 76.18 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.243 -0.911 . . . . 0.31 108.735 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.02 -55.68 32.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.386 -0.821 . . . . 1.22 109.453 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.79 -33.0 74.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 1.73 109.681 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -52.6 64.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.367 -0.833 . . . . 0.28000000000000003 110.001 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.31 109.347 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.31 -35.73 74.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -0.887 . . . . 1.9099999999999999 109.381 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.502 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.9 tt -63.68 -51.41 65.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.407 -0.808 . . . . 0.42999999999999999 109.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.74 -46.01 91.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.346 -0.846 . . . . 1.5700000000000001 109.179 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.61 -33.98 68.79 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.75 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.0 85.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.64000000000000001 109.783 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.149 -0.969 . . . . 1.21 109.707 -179.746 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.262 0.553 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.13 147.99 22.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.222 -0.924 . . . . 0.60999999999999999 109.351 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.429 ' H ' HE21 ' C' ' 331' ' ' GLN . 81.7 m-85 -136.05 -172.95 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.349 -0.844 . . . . 0.57999999999999996 109.513 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.6 p -150.29 148.47 28.9 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.41999999999999998 108.759 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.74 136.08 33.79 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.319 -0.863 . . . . 0.35999999999999999 109.761 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.467 HE22 ' N ' ' A' ' 333' ' ' ARG . 8.3 tm0? -85.75 127.65 34.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.654 -0.869 . . . . 1.3700000000000001 108.654 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.86 111.48 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.478 -0.764 . . . . 0.46999999999999997 109.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.467 ' N ' HE22 ' A' ' 331' ' ' GLN . 59.6 ttt180 -73.84 151.95 40.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.727 . . . . 2.1000000000000001 109.618 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.93 127.06 1.93 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.761 -1.336 . . . . 0.41999999999999998 109.761 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.57 -36.45 44.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.278 -1.13 . . . . 2.6800000000000002 109.24 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.18 -50.64 72.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 2.2200000000000002 109.483 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.472 ' HG3' HH11 ' A' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.3 87.15 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.215 -0.928 . . . . 2.77 109.75 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -50.99 -53.46 33.0 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.172 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -55.47 -37.13 67.38 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.403 -0.81 . . . . 1.6599999999999999 109.246 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.39 -52.92 59.62 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 0.44 110.411 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.108 -0.995 . . . . 0.28999999999999998 109.286 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.27 -42.52 61.15 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.14 -0.975 . . . . 2.4399999999999999 109.56 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.7 -44.74 93.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.276 -0.89 . . . . 1.74 110.133 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.49 -42.6 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.049 -1.032 . . . . 0.29999999999999999 109.394 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.59 -49.04 78.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.907 . . . . 1.22 109.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.16 -40.81 98.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.72 110.278 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.9 -59.01 5.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.27000000000000002 110.154 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.8 -40.16 91.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.278 -0.889 . . . . 0.28999999999999998 109.475 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -61.01 -36.84 80.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 1.9099999999999999 108.959 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.01 -47.82 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.40999999999999998 108.981 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.24 66.29 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.868 0.842 . . . . 1.5600000000000001 109.058 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.71 -32.69 63.54 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.807 -0.558 . . . . 1.4299999999999999 109.823 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.94 79.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.153 -0.967 . . . . 0.66000000000000003 109.599 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.412 HE22 HD11 ' B' ' 350' ' ' LEU . 17.7 mt-30 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 1.1799999999999999 109.669 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.247 0.546 . . . . 1.6100000000000001 109.572 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -94.03 147.91 22.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.287 -0.883 . . . . 0.56999999999999995 109.484 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.459 ' H ' HE21 ' D' ' 331' ' ' GLN . 81.6 m-85 -136.0 -172.94 3.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.249 -0.907 . . . . 0.53000000000000003 109.478 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -150.34 148.37 28.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.301 -0.875 . . . . 0.38 108.769 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.69 136.02 33.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.343 -0.848 . . . . 0.35999999999999999 109.74 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.47 HE22 ' N ' ' B' ' 333' ' ' ARG . 8.3 tm0? -85.67 127.62 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.79 111.41 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.457 -0.777 . . . . 0.48999999999999999 109.227 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.47 ' N ' HE22 ' B' ' 331' ' ' GLN . 59.5 ttt180 -73.8 151.92 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.478 -0.764 . . . . 2.1000000000000001 109.65 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.96 127.22 1.96 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.772 -1.331 . . . . 0.44 109.772 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.79 -36.46 42.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -1.161 . . . . 2.7200000000000002 109.178 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.12 -50.71 72.63 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.261 -0.899 . . . . 2.21 109.449 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' B' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.283 -0.886 . . . . 2.79 109.779 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -51.13 -53.3 35.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.373 -0.83 . . . . 0.45000000000000001 109.198 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.51 -37.18 67.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.331 -0.856 . . . . 1.6799999999999999 109.173 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.36 -52.85 60.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.547 -0.721 . . . . 0.42999999999999999 110.427 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.89 -45.89 91.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.088 -1.008 . . . . 0.28000000000000003 109.21 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.21 -42.57 61.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.268 -0.895 . . . . 2.52 109.613 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.55 -44.8 93.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 1.75 110.23 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.54 -42.56 96.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.31 109.446 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -58.47 -49.18 78.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.21 109.649 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.99 -40.92 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.314 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.89 -58.96 6.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.27000000000000002 110.133 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.86 -40.17 91.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.315 -0.866 . . . . 0.29999999999999999 109.434 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.93 -36.86 80.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.064 -1.023 . . . . 1.9299999999999999 109.05 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.412 HD11 HE22 ' A' ' 354' ' ' GLN . 29.9 tp -63.03 -47.89 81.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.40000000000000002 108.987 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.49 -51.3 66.18 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.861 0.839 . . . . 1.5900000000000001 108.978 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -55.78 -32.61 63.62 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.762 -0.586 . . . . 1.4299999999999999 109.748 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.65000000000000002 109.563 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.252 0.549 . . . . 2.1099999999999999 109.573 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -94.08 147.9 22.69 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.273 -0.892 . . . . 0.64000000000000001 109.431 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.456 ' H ' HE21 ' A' ' 331' ' ' GLN . 81.4 m-85 -135.98 -172.91 3.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.358 -0.839 . . . . 0.48999999999999999 109.541 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -150.31 148.48 28.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.235 -0.915 . . . . 0.46999999999999997 108.773 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.1 tp -139.75 136.05 33.73 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.379 -0.826 . . . . 0.41999999999999998 109.774 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.453 HE22 ' N ' ' C' ' 333' ' ' ARG . 8.4 tm0? -85.65 127.68 34.56 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.692 -0.855 . . . . 1.8100000000000001 108.692 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 111.34 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.513 -0.742 . . . . 0.41999999999999998 109.217 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.453 ' N ' HE22 ' C' ' 331' ' ' GLN . 59.4 ttt180 -73.69 151.96 40.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.546 -0.721 . . . . 2.3500000000000001 109.571 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.85 127.12 1.91 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.761 -1.336 . . . . 0.40999999999999998 109.761 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.64 -36.5 43.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.246 -1.15 . . . . 2.5899999999999999 109.239 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.18 -50.64 72.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.228 -0.92 . . . . 2.54 109.439 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.471 HH11 ' HG3' ' C' ' 337' ' ' ARG . 23.3 ttm-85 -64.87 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.243 -0.911 . . . . 3.3900000000000001 109.747 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.43 33.2 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.46999999999999997 109.228 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -55.46 -37.18 67.41 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.227 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.32 -52.9 60.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.402 -0.811 . . . . 0.60999999999999999 110.448 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.87 -45.87 91.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.089 -1.007 . . . . 0.33000000000000002 109.244 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.18 -42.59 60.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.169 -0.957 . . . . 3.2799999999999998 109.632 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.59 -44.79 93.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.311 -0.868 . . . . 1.78 110.161 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.56 -42.6 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.955 . . . . 0.38 109.335 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.14 78.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.226 -0.921 . . . . 1.2 109.638 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.05 -40.78 98.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.374 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.87 -59.04 5.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 0.26000000000000001 110.158 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.82 -40.12 91.59 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.328 -0.858 . . . . 0.40000000000000002 109.476 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -60.93 -36.89 80.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.014 -1.054 . . . . 2.0899999999999999 109.009 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.411 HD11 HE22 ' D' ' 354' ' ' GLN . 29.9 tp -63.04 -47.9 81.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.348 -0.845 . . . . 0.75 108.929 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.53 -51.24 66.33 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.784 0.802 . . . . 2.1899999999999999 108.957 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -55.8 -32.62 63.67 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.84 -0.538 . . . . 1.3400000000000001 109.831 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 0.71999999999999997 109.58 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.234 0.54 . . . . 1.6699999999999999 109.549 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.05 147.95 22.64 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.916 . . . . 0.60999999999999999 109.468 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.46 ' H ' HE21 ' B' ' 331' ' ' GLN . 81.4 m-85 -136.02 -173.01 3.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.289 -0.882 . . . . 0.56000000000000005 109.549 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -150.34 148.39 28.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.863 . . . . 0.42999999999999999 108.782 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.68 136.21 34.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 0.34999999999999998 109.671 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.459 HE21 ' H ' ' B' ' 328' ' ' PHE . 8.4 tm0? -85.78 127.64 34.6 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.2 mt -123.81 111.43 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.513 -0.742 . . . . 0.47999999999999998 109.225 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.453 ' N ' HE22 ' D' ' 331' ' ' GLN . 59.5 ttt180 -73.81 151.99 40.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 2.0800000000000001 109.622 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 127.17 1.92 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.801 -1.32 . . . . 0.40000000000000002 109.801 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.66 -36.54 43.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -1.136 . . . . 2.6400000000000001 109.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.15 -50.63 72.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.247 -0.908 . . . . 2.2200000000000002 109.468 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' D' ' 337' ' ' ARG . 23.1 ttm-85 -64.84 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.275 -0.89 . . . . 2.7400000000000002 109.794 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.4 33.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 109.287 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.47 -37.1 67.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.296 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.37 -52.91 59.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.395 -0.816 . . . . 0.42999999999999999 110.435 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.093 -1.004 . . . . 0.27000000000000002 109.312 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.54 61.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.146 -0.971 . . . . 2.4500000000000002 109.631 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.71 -44.7 93.6 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 1.75 110.142 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.55 -42.55 96.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.31 109.408 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.17 78.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.3 -0.875 . . . . 1.22 109.625 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.04 -40.86 98.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 1.73 110.345 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.78 -59.14 5.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 0.28000000000000003 110.091 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.69 -40.21 91.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.31 109.511 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -61.02 -36.79 80.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.108 -0.995 . . . . 1.9099999999999999 109.029 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.83 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.42999999999999999 108.981 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.35 65.83 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.86 0.838 . . . . 1.5700000000000001 108.973 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.69 -32.63 63.45 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.774 -0.579 . . . . 1.4399999999999999 109.843 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.98 79.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.64000000000000001 109.547 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.411 HE22 HD11 ' C' ' 350' ' ' LEU . 17.6 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.898 . . . . 1.21 109.639 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.315 0.579 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.09 157.78 16.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.28 -0.887 . . . . 0.60999999999999999 109.39 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.05 -171.67 3.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.381 -0.825 . . . . 0.57999999999999996 109.241 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -152.01 147.16 26.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.186 -0.946 . . . . 0.41999999999999998 108.783 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.59 132.77 26.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.35999999999999999 109.65 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.0 130.76 34.57 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.591 -0.892 . . . . 1.3700000000000001 108.591 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.51 116.73 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.546 -0.721 . . . . 0.46999999999999997 109.51 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.34 149.82 40.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.679 -0.638 . . . . 2.1000000000000001 109.645 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.4 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.136 -1.185 . . . . 0.41999999999999998 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -84.27 -45.66 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -1.125 . . . . 2.6800000000000002 109.327 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.9 -42.16 84.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 2.2200000000000002 109.078 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.59 -43.81 97.88 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.227 -0.921 . . . . 2.77 108.974 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.66 -53.7 53.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.635 -0.665 . . . . 0.42999999999999999 109.692 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.89 -39.66 59.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.384 -0.823 . . . . 1.6599999999999999 110.062 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.63 -49.81 73.71 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.222 -0.924 . . . . 0.44 110.252 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.0 -41.49 96.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 0.28999999999999998 109.112 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.09 -44.04 64.19 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.24 -0.912 . . . . 2.4399999999999999 109.651 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.21 -53.59 55.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 1.74 109.937 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.87 -37.74 80.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.124 -0.985 . . . . 0.29999999999999999 108.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.416 ' O ' ' OE1' ' A' ' 349' ' ' GLU . 22.7 t-20 -59.76 -56.91 15.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.364 -0.835 . . . . 1.22 109.568 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.86 71.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 1.72 110.125 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -46.37 86.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.27000000000000002 109.856 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.93 -51.01 68.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.28999999999999998 109.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 345' ' ' ASN . 2.8 mp0 -57.06 -34.13 67.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 1.9099999999999999 109.558 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.21 -46.77 85.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.125 -0.984 . . . . 0.40999999999999998 108.945 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.61 -52.3 61.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.375 -0.828 . . . . 1.5600000000000001 108.944 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.05 -30.94 66.56 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.638 -0.664 . . . . 1.4299999999999999 109.61 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.14 84.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.197 -0.939 . . . . 0.66000000000000003 110.008 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.165 -0.959 . . . . 1.1799999999999999 109.852 -179.701 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.275 0.56 . . . . 1.6100000000000001 109.574 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.13 157.74 16.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.56999999999999995 109.386 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.55 2.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -0.801 . . . . 0.53000000000000003 109.212 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.1 147.51 26.55 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.287 -0.883 . . . . 0.38 108.742 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.93 132.68 25.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 0.35999999999999999 109.642 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -85.09 130.81 34.55 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.493 -0.928 . . . . 1.3600000000000001 108.493 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.4 mt -123.62 116.65 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.459 -0.776 . . . . 0.48999999999999999 109.456 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.25 149.8 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.596 -0.69 . . . . 2.1000000000000001 109.711 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.39 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.124 -1.19 . . . . 0.44 110.124 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -84.25 -45.63 12.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -1.086 . . . . 2.7200000000000002 109.35 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.04 -41.99 84.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 2.21 109.031 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.67 -43.86 97.74 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.33 -0.856 . . . . 2.79 108.939 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.66 -53.73 52.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.61 -0.681 . . . . 0.45000000000000001 109.652 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.76 59.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 1.6799999999999999 110.038 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.5 ttp -62.61 -49.78 73.85 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.42999999999999999 110.216 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -41.53 96.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.133 -0.979 . . . . 0.28000000000000003 109.134 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.18 -43.89 64.37 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.19 -0.944 . . . . 2.52 109.718 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.21 -53.66 55.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 1.75 109.903 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.19 -0.943 . . . . 0.31 108.82 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' B' ' 349' ' ' GLU . 22.6 t-20 -59.82 -56.87 16.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.43 -0.794 . . . . 1.21 109.522 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.42 -31.84 71.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.307 -0.871 . . . . 1.6899999999999999 110.031 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -46.37 87.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.27000000000000002 109.915 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.91 -51.17 67.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.29999999999999999 109.817 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 345' ' ' ASN . 2.8 mp0 -56.81 -34.22 67.48 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.079 -1.013 . . . . 1.9299999999999999 109.586 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.29 -46.7 85.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.021 -1.049 . . . . 0.40000000000000002 108.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.69 -52.16 61.87 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.426 -0.796 . . . . 1.5900000000000001 108.991 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.04 -31.04 66.64 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.71 -0.619 . . . . 1.4299999999999999 109.604 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.65000000000000002 110.002 -179.516 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.296 0.57 . . . . 2.1099999999999999 109.567 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.06 157.7 16.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -0.889 . . . . 0.64000000000000001 109.414 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.04 -171.69 3.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.448 -0.782 . . . . 0.48999999999999999 109.233 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.95 147.36 26.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.306 -0.871 . . . . 0.46999999999999997 108.738 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.77 132.69 25.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.338 -0.852 . . . . 0.41999999999999998 109.657 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -84.93 130.79 34.58 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.566 -0.901 . . . . 1.8100000000000001 108.566 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.5 mt -123.59 116.7 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.461 -0.774 . . . . 0.41999999999999998 109.451 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.3 149.89 40.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.577 -0.702 . . . . 2.3500000000000001 109.691 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 138.36 2.87 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.184 -1.166 . . . . 0.40999999999999998 110.184 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -84.27 -45.63 12.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.421 -1.047 . . . . 2.5899999999999999 109.36 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.99 -42.17 84.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 2.54 109.034 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.62 -43.8 97.9 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.37 -0.831 . . . . 3.3900000000000001 108.899 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.63 -53.72 52.97 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.627 -0.671 . . . . 0.46999999999999997 109.668 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.77 59.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.02 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.64 -49.78 73.83 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.164 -0.96 . . . . 0.60999999999999999 110.233 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.04 -41.49 96.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.069 -1.019 . . . . 0.33000000000000002 109.081 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.1 -44.02 64.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 3.2799999999999998 109.685 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.05 -53.72 54.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 1.78 109.918 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.83 -37.77 80.15 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.16 -0.962 . . . . 0.38 108.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' C' ' 349' ' ' GLU . 22.7 t-20 -59.77 -56.88 16.36 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.392 -0.818 . . . . 1.2 109.54 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.81 71.74 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 2.1200000000000001 110.078 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -46.43 86.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.26000000000000001 109.889 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.85 -51.24 67.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.40000000000000002 109.824 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' C' ' 345' ' ' ASN . 2.8 mp0 -56.84 -34.17 67.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 2.0899999999999999 109.537 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.33 -46.73 85.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.066 -1.021 . . . . 0.75 108.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.55 -52.28 61.8 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.438 -0.788 . . . . 2.1899999999999999 109.018 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.91 -31.06 66.41 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.693 -0.629 . . . . 1.3400000000000001 109.633 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.219 -0.926 . . . . 0.71999999999999997 109.988 -179.412 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.218 0.533 . . . . 1.6699999999999999 109.608 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.01 157.69 16.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.60999999999999999 109.383 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.6 2.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.56000000000000005 109.244 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -152.02 147.51 26.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.271 -0.893 . . . . 0.42999999999999999 108.799 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.9 tp -141.88 132.76 25.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.326 -0.859 . . . . 0.34999999999999998 109.651 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.12 130.78 34.55 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.493 -0.928 . . . . 1.3700000000000001 108.493 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.64 116.7 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.472 -0.768 . . . . 0.47999999999999998 109.448 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.33 149.79 40.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.66 -0.65 . . . . 2.0800000000000001 109.714 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 138.47 2.92 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.147 -1.181 . . . . 0.40000000000000002 110.147 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -84.19 -45.74 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -1.097 . . . . 2.6400000000000001 109.351 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.87 -42.17 83.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.63 -43.84 97.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 2.7400000000000002 108.882 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.72 -53.7 53.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.645 -0.659 . . . . 0.42999999999999999 109.605 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.84 -39.78 59.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.86 . . . . 1.6899999999999999 110.02 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.242 -0.911 . . . . 0.42999999999999999 110.167 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.0 -41.43 96.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.971 . . . . 0.27000000000000002 109.124 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.14 -43.99 64.32 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.285 -0.884 . . . . 2.4500000000000002 109.69 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.11 -53.71 54.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.192 -0.943 . . . . 1.75 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.87 -37.79 80.34 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.31 108.825 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' D' ' 349' ' ' GLU . 22.7 t-20 -59.78 -56.94 15.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.431 -0.793 . . . . 1.22 109.489 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.3 -31.93 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.73 110.088 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.43 -46.47 86.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.28000000000000003 109.938 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.89 -50.96 68.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.192 -0.943 . . . . 0.31 109.902 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 345' ' ' ASN . 2.8 mp0 -57.11 -34.05 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 1.9099999999999999 109.547 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.24 -46.83 85.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.007 -1.058 . . . . 0.42999999999999999 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.62 -52.16 62.07 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.442 -0.786 . . . . 1.5700000000000001 108.984 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.06 -30.91 66.56 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.659 -0.651 . . . . 1.4399999999999999 109.637 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.1 83.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.312 -0.867 . . . . 0.64000000000000001 109.983 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 1.21 109.801 -179.691 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.286 0.565 . . . . 1.7 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.06 157.89 15.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.261 -0.9 . . . . 0.60999999999999999 109.677 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.57999999999999996 109.122 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.8 p -96.01 160.63 14.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.28 -0.888 . . . . 0.41999999999999998 109.2 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.31 135.81 20.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.35999999999999999 110.105 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.7 130.34 34.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 1.3700000000000001 108.887 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.84 114.25 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 CA-C-O 121.576 0.703 . . . . 0.46999999999999997 109.436 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -76.26 146.29 39.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 2.1000000000000001 110.008 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.68 6.97 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.537 -1.025 . . . . 0.41999999999999998 110.537 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.421 ' O ' ' OE2' ' A' ' 339' ' ' GLU . 27.6 ttm180 -85.2 -45.78 11.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.403 -1.057 . . . . 2.6800000000000002 109.31 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.6 80.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 2.2200000000000002 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.44 -0.787 . . . . 2.77 109.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -54.29 -59.48 4.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.378 -0.826 . . . . 0.42999999999999999 110.341 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 339' ' ' GLU . 4.9 mp0 -51.56 -34.83 38.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.137 -0.977 . . . . 1.6599999999999999 110.021 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.53 -52.54 57.19 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.211 -0.93 . . . . 0.44 110.219 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.48 -45.22 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.28999999999999998 108.982 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.99 -43.94 60.78 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.376 -0.828 . . . . 2.4399999999999999 109.532 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.55 -48.21 82.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 1.74 109.941 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.51 -41.55 97.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.29999999999999999 109.329 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.59 -51.0 71.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 1.22 109.538 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.14 -36.87 85.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.865 . . . . 1.72 109.708 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.9 -49.09 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.898 . . . . 0.27000000000000002 109.928 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -48.0 82.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.28999999999999998 109.489 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.76 72.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.619 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.04 -50.38 68.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.40999999999999998 109.346 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.16 -47.32 80.3 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.407 -0.808 . . . . 1.5600000000000001 109.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.77 -35.28 72.52 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.593 -0.692 . . . . 1.4299999999999999 109.645 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -48.12 68.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.66000000000000003 109.88 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.34 -0.85 . . . . 1.1799999999999999 109.983 -179.591 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.292 0.567 . . . . 1.6100000000000001 109.815 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -95.99 157.93 15.67 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.703 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.27 139.15 33.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.362 -0.836 . . . . 0.53000000000000003 109.045 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -95.87 160.58 14.4 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.879 . . . . 0.38 109.194 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.4 tp -148.3 135.86 20.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.35999999999999999 110.025 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.63 130.4 34.58 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.806 -0.813 . . . . 1.3600000000000001 108.806 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.8 mt -123.88 114.32 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 CA-C-O 121.539 0.685 . . . . 0.48999999999999999 109.448 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.27 146.3 39.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.561 -0.712 . . . . 2.1000000000000001 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.58 6.9 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.579 -1.009 . . . . 0.44 110.579 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' B' ' 339' ' ' GLU . 27.6 ttm180 -85.12 -45.81 11.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 2.7200000000000002 109.339 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.89 -42.59 80.11 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.088 -1.008 . . . . 2.21 109.236 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.09 -39.09 93.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.45 -0.781 . . . . 2.79 109.892 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.45 -59.39 4.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.801 . . . . 0.45000000000000001 110.371 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.9 mp0 -51.53 -34.91 38.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.112 -0.992 . . . . 1.6799999999999999 109.965 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.52 -52.56 57.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.246 -0.908 . . . . 0.42999999999999999 110.211 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.46 -45.2 95.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.134 -0.979 . . . . 0.28000000000000003 109.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.03 -43.91 60.98 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.393 -0.817 . . . . 2.52 109.547 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -60.49 -48.26 82.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 1.75 109.96 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.51 -41.53 97.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.95 . . . . 0.31 109.311 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -51.07 71.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 1.21 109.424 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.05 -36.82 84.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 1.6899999999999999 109.712 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -49.05 79.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 0.27000000000000002 109.876 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.83 -47.99 82.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 0.29999999999999999 109.51 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.81 72.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.229 -0.92 . . . . 1.9299999999999999 109.602 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.04 -50.44 68.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.40000000000000002 109.339 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.34 80.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.441 -0.787 . . . . 1.5900000000000001 109.097 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.8 -35.11 72.31 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.771 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.65000000000000002 109.903 -179.654 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.31 0.576 . . . . 2.1099999999999999 109.811 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.98 157.96 15.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.181 -0.949 . . . . 0.64000000000000001 109.607 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.25 139.29 33.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.319 -0.863 . . . . 0.48999999999999999 109.086 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -95.93 160.7 14.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.268 -0.895 . . . . 0.46999999999999997 109.189 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.4 135.78 20.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.41999999999999998 110.061 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.65 130.4 34.58 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.799 -0.815 . . . . 1.8100000000000001 108.799 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.9 114.21 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.516 -0.74 . . . . 0.41999999999999998 109.416 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.2 146.27 39.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.699 . . . . 2.3500000000000001 110.094 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 140.62 6.94 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.561 -1.015 . . . . 0.40999999999999998 110.561 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' C' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.74 11.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.46 -1.024 . . . . 2.5899999999999999 109.352 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.59 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 2.54 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.16 -39.05 93.54 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.473 -0.767 . . . . 3.3900000000000001 109.836 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -54.37 -59.53 4.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.46999999999999997 110.334 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' C' ' 339' ' ' GLU . 4.9 mp0 -51.48 -34.92 37.73 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.209 -0.932 . . . . 1.6599999999999999 109.99 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.49 -52.54 57.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.253 -0.904 . . . . 0.60999999999999999 110.224 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -45.18 95.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.113 -0.992 . . . . 0.33000000000000002 109.003 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -50.99 -43.91 60.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.854 . . . . 3.2799999999999998 109.606 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.52 -48.19 82.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 1.78 109.976 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.56 -41.56 97.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.38 109.311 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -50.92 72.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 1.2 109.512 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -63.2 -36.88 85.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 2.1200000000000001 109.669 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.98 -48.99 79.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.223 -0.923 . . . . 0.26000000000000001 109.929 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -47.99 82.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -0.983 . . . . 0.40000000000000002 109.491 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.23 -34.79 72.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.915 . . . . 2.0899999999999999 109.572 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.417 HD11 HE22 ' D' ' 354' ' ' GLN . 39.7 tp -64.02 -50.37 68.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.322 -0.861 . . . . 0.75 109.391 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.29 80.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.337 -0.852 . . . . 2.1899999999999999 109.142 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.81 -35.22 72.51 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.524 -0.735 . . . . 1.3400000000000001 109.728 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.71999999999999997 109.867 -179.539 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.242 0.544 . . . . 1.6699999999999999 109.843 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -95.95 157.97 15.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.311 -0.868 . . . . 0.60999999999999999 109.64 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.2 139.36 33.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.365 -0.835 . . . . 0.56000000000000005 109.06 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 63.7 p -95.99 160.73 14.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.175 -0.953 . . . . 0.42999999999999999 109.179 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.3 tp -148.47 135.78 20.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.129 -0.982 . . . . 0.34999999999999998 110.034 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.64 130.45 34.57 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.783 -0.821 . . . . 1.3700000000000001 108.783 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.92 114.26 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.494 -0.754 . . . . 0.47999999999999998 109.412 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.19 146.25 39.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.511 -0.743 . . . . 2.0800000000000001 110.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.58 6.93 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.57 -1.012 . . . . 0.40000000000000002 110.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.41 ' O ' ' OE2' ' D' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.8 11.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -1.065 . . . . 2.6400000000000001 109.3 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.87 -42.67 80.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 2.2200000000000002 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -62.96 -39.28 94.19 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.434 -0.791 . . . . 2.7400000000000002 109.831 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -54.3 -59.45 4.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.429 -0.794 . . . . 0.42999999999999999 110.377 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' D' ' 339' ' ' GLU . 4.9 mp0 -51.49 -34.9 37.84 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.126 -0.983 . . . . 1.6899999999999999 110.02 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.51 -52.6 56.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.11 -0.994 . . . . 0.42999999999999999 110.168 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -45.09 95.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.001 -1.062 . . . . 0.27000000000000002 109.024 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.13 -43.87 61.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 109.547 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -60.54 -48.23 82.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 1.75 109.96 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.5 -41.58 97.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.18 -0.95 . . . . 0.31 109.31 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.58 -50.97 71.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 1.22 109.544 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.15 -36.89 85.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.73 109.689 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -48.98 79.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.28000000000000003 109.968 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.97 -47.89 82.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.31 109.506 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.22 -34.8 72.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.9099999999999999 109.612 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.8 tp -64.07 -50.35 68.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 109.343 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.1 -47.43 80.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.279 -0.888 . . . . 1.5700000000000001 109.118 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.74 -35.17 72.29 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.507 -0.745 . . . . 1.4399999999999999 109.762 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.04 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.64000000000000001 109.935 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.417 HE22 HD11 ' C' ' 350' ' ' LEU . 22.7 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.271 -0.893 . . . . 1.21 109.918 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.336 0.589 . . . . 1.7 109.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -96.05 152.63 18.35 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.60999999999999999 109.153 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -135.35 -172.72 3.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.275 -0.89 . . . . 0.57999999999999996 109.278 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.56 145.55 25.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.218 -0.926 . . . . 0.41999999999999998 108.952 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.2 tp -139.54 134.85 32.77 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.436 -0.79 . . . . 0.35999999999999999 109.77 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -86.36 132.75 33.89 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.882 -0.785 . . . . 1.3700000000000001 108.882 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.83 115.03 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.459 -0.775 . . . . 0.46999999999999997 109.344 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -75.09 152.44 38.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 2.1000000000000001 110.024 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 144.19 5.27 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.395 -1.082 . . . . 0.41999999999999998 110.395 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -82.89 -47.81 11.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.507 -0.996 . . . . 2.6800000000000002 109.256 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.91 -41.24 77.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 108.537 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.591 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -47.22 82.66 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.331 -0.856 . . . . 2.77 109.463 179.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -56.0 -57.99 9.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.48 -0.763 . . . . 0.42999999999999999 109.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -51.06 -38.71 53.24 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.459 -0.776 . . . . 1.6599999999999999 109.923 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.2 -53.63 46.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.128 -0.983 . . . . 0.44 110.208 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.32 -45.33 94.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.06 -1.025 . . . . 0.28999999999999998 109.207 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.08 -41.91 60.26 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.366 -0.834 . . . . 2.4399999999999999 109.369 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.02 -54.83 41.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 1.74 109.921 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.96 -39.47 81.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -0.949 . . . . 0.29999999999999999 108.728 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.42 -53.8 53.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.37 -0.831 . . . . 1.22 109.428 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.99 -35.81 81.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 1.72 110.018 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.14 -49.5 76.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.27000000000000002 109.881 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.07 -47.94 82.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.28999999999999998 109.378 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.27 -32.25 68.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 108.748 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 350' ' ' LEU . 2.5 tt -64.35 -52.44 58.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.392 -0.817 . . . . 0.40999999999999998 108.824 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -60.34 -39.69 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.716 -0.846 . . . . 1.5600000000000001 108.716 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.36 -37.79 73.15 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.672 -0.642 . . . . 1.4299999999999999 109.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.06 85.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.213 -0.929 . . . . 0.66000000000000003 109.649 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 1.1799999999999999 109.586 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.286 0.565 . . . . 1.6100000000000001 109.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -96.18 152.44 18.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.56999999999999995 109.155 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -135.22 -172.63 3.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.258 -0.901 . . . . 0.53000000000000003 109.307 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -151.6 145.42 25.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.333 -0.854 . . . . 0.38 108.893 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -139.55 134.83 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.471 -0.768 . . . . 0.35999999999999999 109.713 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.38 132.76 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.921 -0.77 . . . . 1.3600000000000001 108.921 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.87 115.03 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.511 -0.743 . . . . 0.48999999999999999 109.278 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.93 152.52 38.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 2.1000000000000001 109.949 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.99 143.89 5.19 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.374 -1.09 . . . . 0.44 110.374 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -82.67 -47.67 11.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.54 -0.976 . . . . 2.7200000000000002 109.22 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.96 -41.57 78.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 2.21 108.521 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -47.58 80.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.311 -0.868 . . . . 2.79 109.504 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -55.52 -57.85 10.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.519 -0.738 . . . . 0.45000000000000001 109.5 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.27 -39.03 55.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.468 -0.77 . . . . 1.6799999999999999 109.886 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -63.62 -53.57 49.49 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 110.123 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.69 -45.39 94.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.092 -1.005 . . . . 0.28000000000000003 109.145 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.23 -41.39 60.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.339 -0.851 . . . . 2.52 109.289 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.28 -55.11 37.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.936 . . . . 1.75 109.897 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.86 -39.4 81.23 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.31 108.739 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.16 -53.87 53.39 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.35 -0.843 . . . . 1.21 109.429 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.98 -36.06 82.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.6899999999999999 110.081 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -49.23 77.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.925 . . . . 0.27000000000000002 109.862 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.07 -47.88 82.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 0.29999999999999999 109.433 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -58.5 -32.48 68.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 1.9299999999999999 108.737 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -64.04 -52.05 61.25 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.735 -0.839 . . . . 0.40000000000000002 108.735 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -60.83 -39.86 90.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.323 -0.861 . . . . 1.5900000000000001 108.765 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -57.15 -38.12 73.05 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.609 -0.682 . . . . 1.4299999999999999 109.81 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 0.65000000000000002 109.706 -179.618 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.211 0.529 . . . . 2.1099999999999999 109.836 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -95.88 152.24 18.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.422 -0.799 . . . . 0.64000000000000001 109.195 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.92 -172.15 2.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.275 -0.89 . . . . 0.48999999999999999 109.29 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -151.89 145.65 25.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 0.46999999999999997 108.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.4 tp -139.89 134.66 31.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.405 -0.809 . . . . 0.41999999999999998 109.692 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.59 33.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.02 -0.734 . . . . 1.8100000000000001 109.02 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.74 115.41 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.41999999999999998 109.299 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -75.23 153.06 38.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.448 -0.782 . . . . 2.3500000000000001 110.101 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.08 143.42 4.37 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.402 -1.079 . . . . 0.40999999999999998 110.402 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -82.08 -47.72 12.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.501 -0.999 . . . . 2.5899999999999999 109.223 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -56.79 -41.41 77.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.161 -0.962 . . . . 2.54 108.62 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.59 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.47 -47.82 80.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.359 -0.838 . . . . 3.3900000000000001 109.451 179.473 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -55.39 -57.72 10.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.549 -0.719 . . . . 0.46999999999999997 109.598 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.31 -38.94 55.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.86 -53.23 53.85 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.095 -1.003 . . . . 0.60999999999999999 110.224 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.87 -45.03 95.53 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.107 -0.995 . . . . 0.33000000000000002 109.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.5 -41.21 60.81 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.306 -0.872 . . . . 3.2799999999999998 109.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.39 -55.04 38.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 1.78 109.947 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.0 -39.3 81.41 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.155 -0.966 . . . . 0.38 108.786 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.32 -53.59 56.46 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.412 -0.805 . . . . 1.2 109.428 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.25 -36.12 82.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 2.1200000000000001 110.023 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.03 -49.34 77.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.195 -0.941 . . . . 0.26000000000000001 109.871 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.88 -47.66 83.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.149 -0.969 . . . . 0.40000000000000002 109.453 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -32.45 69.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.726 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -64.12 -51.95 61.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.74 -0.837 . . . . 0.75 108.74 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.95 -39.68 90.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.324 -0.86 . . . . 2.1899999999999999 108.777 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.21 -37.96 73.0 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.566 -0.709 . . . . 1.3400000000000001 109.845 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.905 . . . . 0.71999999999999997 109.735 -179.685 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.269 0.557 . . . . 1.6699999999999999 109.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -96.23 152.11 18.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.334 -0.854 . . . . 0.60999999999999999 109.104 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -135.02 -172.6 3.09 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.304 -0.872 . . . . 0.56000000000000005 109.241 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.69 145.49 25.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.3 -0.875 . . . . 0.42999999999999999 108.853 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.5 tp -139.37 134.73 32.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.436 -0.79 . . . . 0.34999999999999998 109.77 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.44 132.6 33.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.872 -0.788 . . . . 1.3700000000000001 108.872 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.83 115.48 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.562 -0.712 . . . . 0.47999999999999998 109.324 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -75.4 152.63 38.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 2.0800000000000001 109.993 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.81 143.87 5.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.391 -1.084 . . . . 0.40000000000000002 110.391 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -82.73 -47.59 11.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.996 . . . . 2.6400000000000001 109.213 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.89 -41.67 78.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.485 -0.931 . . . . 2.2200000000000002 108.485 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.595 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -47.49 81.32 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.374 -0.829 . . . . 2.7400000000000002 109.546 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.6 -57.64 11.11 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.586 -0.696 . . . . 0.42999999999999999 109.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -51.41 -38.99 56.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 109.925 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -63.87 -53.08 56.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 110.164 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.977 . . . . 0.27000000000000002 109.206 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.38 -41.4 60.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.218 -0.927 . . . . 2.4500000000000002 109.375 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.24 -54.65 43.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 1.75 109.944 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.23 -39.42 82.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.31 108.796 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.28 -53.97 52.14 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.461 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.94 -35.96 81.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 1.73 109.988 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.09 -49.45 76.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.28000000000000003 109.853 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.08 -47.81 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.143 -0.973 . . . . 0.31 109.402 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.52 -32.43 68.83 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 108.801 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' C' ' 350' ' ' LEU . 2.5 tt -64.07 -52.14 60.72 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.755 -0.831 . . . . 0.42999999999999999 108.755 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.74 -39.72 89.7 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.69 -0.856 . . . . 1.5700000000000001 108.69 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -57.32 -37.62 72.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.807 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.21 85.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.64000000000000001 109.715 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.371 -0.831 . . . . 1.21 109.64 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.402 -0.592 . . . . 1.7 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 151.98 18.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.245 -0.909 . . . . 0.60999999999999999 110.015 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.62 -168.54 2.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.443 -0.786 . . . . 0.57999999999999996 108.985 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.8 p -153.24 142.53 21.56 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.185 -0.947 . . . . 0.41999999999999998 109.247 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.12 137.0 40.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.557 -0.715 . . . . 0.35999999999999999 109.716 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.29 33.85 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.9 mt -123.45 113.56 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.352 -0.842 . . . . 0.46999999999999997 109.304 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HE ' ' C ' ' A' ' 333' ' ' ARG . 0.1 OUTLIER -74.63 149.99 39.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.541 -0.724 . . . . 2.1000000000000001 109.998 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.33 138.96 6.41 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.959 -1.256 . . . . 0.41999999999999998 109.959 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.92 -50.89 11.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -1.151 . . . . 2.6800000000000002 109.339 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.88 -38.81 76.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.159 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.581 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.5 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.393 -0.817 . . . . 2.77 109.311 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.3 -56.6 18.14 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.684 -0.635 . . . . 0.42999999999999999 109.823 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 110.08 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.82 -51.3 65.34 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.2 -0.938 . . . . 0.44 110.576 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.46 80.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.0 -1.062 . . . . 0.28999999999999998 109.566 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.45 -39.04 46.62 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.069 -1.019 . . . . 2.4399999999999999 109.371 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.58 -46.77 88.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.148 -0.97 . . . . 1.74 109.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.85 -49.16 77.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 0.29999999999999999 109.215 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.28 -47.3 84.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.201 -0.937 . . . . 1.22 109.432 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.69 -38.45 87.87 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.327 -0.858 . . . . 1.72 109.444 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.27 -50.16 75.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.35 -0.844 . . . . 0.27000000000000002 109.577 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.25 -43.07 99.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.28999999999999998 109.369 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.83 -37.01 75.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 1.9099999999999999 109.256 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.63 -48.35 77.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.40999999999999998 109.181 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.48 -47.83 80.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 1.5600000000000001 109.029 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.57 -34.23 68.99 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.587 -0.696 . . . . 1.4299999999999999 109.482 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.98 83.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.858 . . . . 0.66000000000000003 109.84 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.464 HE22 HD11 ' B' ' 350' ' ' LEU . 65.0 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 1.1799999999999999 109.616 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.412 -0.588 . . . . 1.6100000000000001 109.412 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.9 151.87 18.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.305 -0.872 . . . . 0.56999999999999995 110.026 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.54 -168.56 2.12 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.453 -0.779 . . . . 0.53000000000000003 108.955 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.9 p -153.26 142.56 21.56 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.104 -0.997 . . . . 0.38 109.153 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.9 tp -136.16 136.96 40.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.589 -0.694 . . . . 0.35999999999999999 109.715 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.84 132.28 33.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.882 -0.785 . . . . 1.3600000000000001 108.882 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.0 mt -123.48 113.55 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.517 -0.74 . . . . 0.48999999999999999 109.295 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.424 ' C ' ' HE ' ' B' ' 333' ' ' ARG . 0.1 OUTLIER -74.66 150.06 39.71 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.643 -0.661 . . . . 2.1000000000000001 109.995 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.31 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.011 -1.235 . . . . 0.44 110.011 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -78.02 -50.87 11.27 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -1.134 . . . . 2.7200000000000002 109.287 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.94 -38.83 76.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 2.21 109.136 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -45.9 83.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 2.79 109.394 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.35 -56.61 18.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.653 -0.655 . . . . 0.45000000000000001 109.804 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -51.55 -40.16 59.17 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.388 -0.82 . . . . 1.6799999999999999 110.159 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.83 -51.24 65.61 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 110.642 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.96 -48.47 80.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.044 -1.035 . . . . 0.28000000000000003 109.582 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.46 -39.06 46.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.087 -1.008 . . . . 2.52 109.419 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -61.55 -46.81 88.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.971 . . . . 1.75 109.56 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.82 -49.14 77.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.335 -0.853 . . . . 0.31 109.289 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.23 -47.36 83.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 1.21 109.425 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.57 -38.7 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.437 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.07 -50.07 75.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.326 -0.859 . . . . 0.27000000000000002 109.71 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.33 -43.0 99.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.328 -0.857 . . . . 0.29999999999999999 109.363 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.91 -36.98 75.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.208 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.464 HD11 HE22 ' A' ' 354' ' ' GLN . 53.2 tp -63.7 -48.21 78.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.37 -0.831 . . . . 0.40000000000000002 109.215 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.59 -47.7 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 1.5900000000000001 109.02 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.78 -34.15 69.3 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.467 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.65000000000000002 109.895 -179.717 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.427 -0.583 . . . . 2.1099999999999999 109.427 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -94.87 152.02 18.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.174 -0.954 . . . . 0.64000000000000001 110.032 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.72 -168.54 2.13 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.967 -0.753 . . . . 0.48999999999999999 108.967 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.1 p -153.29 142.21 21.19 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.165 -0.959 . . . . 0.46999999999999997 109.247 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -135.91 137.04 40.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.566 -0.709 . . . . 0.41999999999999998 109.709 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.88 132.31 33.85 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.833 -0.803 . . . . 1.8100000000000001 108.833 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.53 113.56 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.419 -0.8 . . . . 0.41999999999999998 109.176 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.417 ' C ' ' HE ' ' C' ' 333' ' ' ARG . 0.1 OUTLIER -74.67 150.06 39.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.647 -0.658 . . . . 2.3500000000000001 109.957 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.35 138.89 6.4 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.068 -1.213 . . . . 0.40999999999999998 110.068 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.9 -50.97 11.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -1.105 . . . . 2.5899999999999999 109.246 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.9 -38.76 76.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 2.54 109.087 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.583 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -45.93 83.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.374 -0.829 . . . . 3.3900000000000001 109.364 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.34 -56.63 17.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.647 -0.658 . . . . 0.46999999999999997 109.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 110.128 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.88 -51.24 65.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.189 -0.944 . . . . 0.60999999999999999 110.612 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.0 -48.32 80.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.33000000000000002 109.657 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.53 -39.05 47.89 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.088 -1.007 . . . . 3.2799999999999998 109.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.63 -46.74 88.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 1.78 109.489 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.9 -49.08 77.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 0.38 109.271 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.25 -47.36 83.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.264 -0.897 . . . . 1.2 109.431 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.63 -38.6 88.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.334 -0.854 . . . . 2.1200000000000001 109.405 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.03 -50.29 74.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.26000000000000001 109.601 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.22 -43.02 99.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.40000000000000002 109.422 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.87 -36.91 75.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.279 -0.888 . . . . 2.0899999999999999 109.291 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.77 -48.32 77.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.384 -0.822 . . . . 0.75 109.165 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.47 -47.81 80.26 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 2.1899999999999999 108.963 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.63 -34.35 69.22 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.587 -0.695 . . . . 1.3400000000000001 109.393 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.71999999999999997 109.829 -179.678 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.428 -0.582 . . . . 1.6699999999999999 109.428 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 152.01 18.75 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.264 -0.897 . . . . 0.60999999999999999 109.984 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.75 -168.57 2.14 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.901 -0.777 . . . . 0.56000000000000005 108.901 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -153.27 142.47 21.45 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.132 -0.98 . . . . 0.42999999999999999 109.249 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.12 137.04 40.6 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -0.751 . . . . 0.34999999999999998 109.748 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.23 33.87 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.787 -0.82 . . . . 1.3700000000000001 108.787 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.43 113.63 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.451 -0.781 . . . . 0.47999999999999998 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.43 ' HE ' ' C ' ' D' ' 333' ' ' ARG . 0.1 OUTLIER -74.68 150.04 39.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.606 -0.684 . . . . 2.0800000000000001 109.965 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.3 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.034 -1.227 . . . . 0.40000000000000002 110.034 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.94 -50.9 11.27 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.299 -1.118 . . . . 2.6400000000000001 109.3 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.83 -38.84 76.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.125 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.582 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.353 -0.842 . . . . 2.7400000000000002 109.33 179.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.34 -56.6 18.21 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.716 -0.615 . . . . 0.42999999999999999 109.819 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -51.53 -40.16 59.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.363 -0.835 . . . . 1.6899999999999999 110.137 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -51.21 65.53 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.136 -0.978 . . . . 0.42999999999999999 110.575 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.51 80.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.157 -0.964 . . . . 0.27000000000000002 109.553 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.48 -39.0 46.94 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.13 -0.981 . . . . 2.4500000000000002 109.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.66 -46.71 88.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.75 109.516 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.93 -49.08 77.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.263 -0.898 . . . . 0.31 109.187 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -58.28 -47.36 83.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 1.22 109.378 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.58 -38.71 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.338 -0.851 . . . . 1.73 109.364 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.08 -50.17 75.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 0.28000000000000003 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.3 -43.0 99.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.31 109.4 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.81 -36.97 75.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.9099999999999999 109.266 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.72 -48.31 77.57 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 0.42999999999999999 109.208 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.5 -47.68 80.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.331 -0.855 . . . . 1.5700000000000001 108.999 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.77 -34.23 69.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.433 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.85 82.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.64000000000000001 109.884 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.781 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.263 0.554 . . . . 1.7 109.565 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.52 158.98 15.44 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.254 -0.904 . . . . 0.60999999999999999 109.258 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.41 -173.64 3.66 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 0.57999999999999996 109.46 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -151.67 115.49 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 0.41999999999999998 108.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -101.18 136.65 40.69 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.504 -0.748 . . . . 0.35999999999999999 109.703 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -86.0 128.58 34.88 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.51 -0.922 . . . . 1.3700000000000001 108.51 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.16 115.91 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.739 0.781 . . . . 0.46999999999999997 109.723 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -75.23 147.6 40.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.196 -0.668 . . . . 2.1000000000000001 109.196 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 145.67 13.25 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 109.799 -1.32 . . . . 0.41999999999999998 109.799 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.54 -51.48 7.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -1.116 . . . . 2.6800000000000002 109.525 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.47 -37.78 73.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 2.2200000000000002 109.232 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.537 ' HB2' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -48.23 79.02 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 2.77 109.545 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.92 -60.15 3.76 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.668 -0.645 . . . . 0.42999999999999999 109.859 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.42 -38.75 44.74 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.507 -0.746 . . . . 1.6599999999999999 110.109 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.25 -51.49 63.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.005 -1.059 . . . . 0.44 110.122 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.15 -45.88 91.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.105 -0.997 . . . . 0.28999999999999998 109.005 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.67 -42.31 45.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.17 -0.956 . . . . 2.4399999999999999 109.157 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.25 86.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 1.74 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.44 -47.67 85.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.29999999999999999 109.022 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.09 -48.33 80.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 1.22 109.485 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -61.64 -37.35 83.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.72 109.761 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.57 -56.18 25.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.315 -0.865 . . . . 0.27000000000000002 110.012 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.4 -39.81 92.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.238 -0.914 . . . . 0.28999999999999998 109.408 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -61.51 -39.61 91.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.554 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.27 -49.29 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.269 -0.894 . . . . 0.40999999999999998 108.994 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -64.34 -49.57 71.15 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.651 0.738 . . . . 1.5600000000000001 109.321 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -55.7 -34.29 64.96 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 120.3 -0.56 . . . . 1.4299999999999999 109.528 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -45.69 76.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66000000000000003 109.589 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' B' ' 350' ' ' LEU . 34.6 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.342 -0.849 . . . . 1.1799999999999999 109.468 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.557 -0.534 . . . . 1.6100000000000001 109.557 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -93.37 159.16 15.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.31 -0.869 . . . . 0.56999999999999995 109.408 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.63 -173.61 3.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.53000000000000003 109.406 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.2 p -151.72 115.46 4.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -0.775 . . . . 0.38 108.99 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.7 tp -101.12 136.68 40.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.666 . . . . 0.35999999999999999 109.784 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -86.16 128.53 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.384 -0.969 . . . . 1.3600000000000001 108.384 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.13 115.93 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 CA-C-O 121.754 0.788 . . . . 0.48999999999999999 109.723 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -75.16 147.41 40.47 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.266 -0.642 . . . . 2.1000000000000001 109.266 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.04 145.84 13.92 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.811 -1.316 . . . . 0.44 109.811 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.65 -51.54 7.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.319 -1.106 . . . . 2.7200000000000002 109.53 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -57.33 -37.98 73.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 2.21 109.243 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.545 HH11 ' HB2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.25 78.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.322 -0.861 . . . . 2.79 109.475 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.98 -60.01 3.96 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.657 -0.652 . . . . 0.45000000000000001 109.756 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -50.55 -38.69 46.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.6799999999999999 110.059 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.27 -51.52 63.15 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.055 -1.028 . . . . 0.42999999999999999 110.122 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.16 -45.86 91.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.958 -1.089 . . . . 0.28000000000000003 108.987 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -49.62 -42.49 45.09 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.106 -0.996 . . . . 2.52 109.058 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.46 -47.11 86.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.45 -0.781 . . . . 1.75 109.521 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.63 -47.64 85.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.31 109.003 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.07 -48.39 80.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.336 -0.853 . . . . 1.21 109.482 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.65 -37.26 83.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.766 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -56.1 26.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.27000000000000002 109.987 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.3 -40.06 92.76 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.163 -0.96 . . . . 0.29999999999999999 109.448 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.73 91.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.197 -0.94 . . . . 1.9299999999999999 109.585 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.474 HD21 ' NE2' ' A' ' 354' ' ' GLN . 19.8 tp -62.44 -49.5 75.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.929 . . . . 0.40000000000000002 109.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.09 -49.53 71.87 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.83 0.824 . . . . 1.5900000000000001 109.195 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -55.65 -34.58 65.09 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.734 -0.604 . . . . 1.4299999999999999 109.478 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.208 -0.932 . . . . 0.65000000000000002 109.507 -179.737 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.563 -0.532 . . . . 2.1099999999999999 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -93.4 159.04 15.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.27 -0.894 . . . . 0.64000000000000001 109.35 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.49 -173.66 3.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.48999999999999999 109.421 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -151.63 115.42 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -0.816 . . . . 0.46999999999999997 108.977 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.93 136.84 40.15 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.511 -0.743 . . . . 0.41999999999999998 109.851 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.22 128.64 34.94 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.352 -0.981 . . . . 1.8100000000000001 108.352 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.17 115.88 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 121.677 0.751 . . . . 0.41999999999999998 109.774 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -75.32 147.53 40.07 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.197 -0.668 . . . . 2.3500000000000001 109.197 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 145.61 13.2 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.759 -1.336 . . . . 0.40999999999999998 109.759 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.48 -51.34 7.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -1.092 . . . . 2.5899999999999999 109.583 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -57.53 -37.84 73.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.915 . . . . 2.54 109.161 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.536 ' HB2' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -48.22 79.07 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.27 -0.894 . . . . 3.3900000000000001 109.584 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.91 -60.02 3.94 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.436 0.636 . . . . 0.46999999999999997 109.885 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -50.52 -38.87 46.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.416 -0.802 . . . . 1.6599999999999999 110.063 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.07 -51.55 63.55 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.121 -0.987 . . . . 0.60999999999999999 110.165 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -62.17 -45.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.043 -1.036 . . . . 0.33000000000000002 109.028 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.72 -42.55 46.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.111 -0.993 . . . . 3.2799999999999998 108.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.31 -47.26 86.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.48 -0.762 . . . . 1.78 109.523 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 53.5 mt -60.62 -47.53 85.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.877 . . . . 0.38 109.054 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.15 -48.29 80.71 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.391 -0.818 . . . . 1.2 109.43 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 2.1200000000000001 109.753 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -56.09 26.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 0.26000000000000001 109.933 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.38 -40.02 92.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.149 -0.97 . . . . 0.40000000000000002 109.456 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.81 91.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.522 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.483 HD21 ' NE2' ' D' ' 354' ' ' GLN . 20.1 tp -62.39 -49.46 75.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.75 109.046 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.2 -49.41 72.13 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.771 0.796 . . . . 2.1899999999999999 109.223 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -55.76 -34.49 65.28 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.503 -0.555 . . . . 1.3400000000000001 109.503 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.71999999999999997 109.479 -179.749 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.497 -0.557 . . . . 1.6699999999999999 109.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -93.38 159.23 15.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.309 -0.869 . . . . 0.60999999999999999 109.392 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.65 -173.69 3.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.56000000000000005 109.448 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.4 p -151.61 115.53 4.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.437 -0.789 . . . . 0.42999999999999999 108.88 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -101.09 136.57 40.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.492 -0.755 . . . . 0.34999999999999998 109.79 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.87 128.43 34.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.59 -0.893 . . . . 1.3700000000000001 108.59 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.06 115.93 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-O 121.707 0.765 . . . . 0.47999999999999998 109.734 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -75.22 147.24 40.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.284 -0.636 . . . . 2.0800000000000001 109.284 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 145.72 13.63 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.963 -1.255 . . . . 0.40000000000000002 109.963 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.52 -51.46 7.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -1.122 . . . . 2.6400000000000001 109.626 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -57.37 -38.05 73.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 2.2200000000000002 109.226 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.544 ' HB2' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.9 -48.3 78.52 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.315 -0.866 . . . . 2.7400000000000002 109.622 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.88 -60.04 3.91 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.657 -0.652 . . . . 0.42999999999999999 109.832 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -50.57 -38.76 47.02 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.527 -0.733 . . . . 1.6899999999999999 110.011 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.2 -51.5 63.43 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.083 -1.011 . . . . 0.42999999999999999 110.149 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.07 -45.87 91.63 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.034 -1.041 . . . . 0.27000000000000002 109.018 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -49.73 -42.4 46.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.991 . . . . 2.4500000000000002 109.038 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.15 86.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.465 -0.772 . . . . 1.75 109.469 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.61 -47.54 85.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.824 . . . . 0.31 109.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -58.17 -48.35 80.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.453 -0.779 . . . . 1.22 109.401 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.66 -37.32 83.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.73 109.794 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.66 -56.01 27.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.28000000000000003 109.952 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 -39.98 92.77 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.181 -0.949 . . . . 0.31 109.374 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.35 -39.64 91.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.119 -0.988 . . . . 1.9099999999999999 109.561 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.3 tp -62.34 -49.19 76.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.42999999999999999 109.005 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -64.39 -49.58 71.01 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.729 0.776 . . . . 1.5700000000000001 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.59 -34.39 64.78 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.448 -0.575 . . . . 1.4399999999999999 109.448 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.71 76.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.14 -0.975 . . . . 0.64000000000000001 109.531 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.483 ' NE2' HD21 ' C' ' 350' ' ' LEU . 34.6 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.21 109.548 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.23 0.538 . . . . 1.7 109.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -96.18 144.99 25.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.227 -0.921 . . . . 0.60999999999999999 109.503 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -134.59 -172.55 3.05 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.366 -0.834 . . . . 0.57999999999999996 109.542 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.0 p -149.63 150.65 32.5 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.56 -0.904 . . . . 0.41999999999999998 108.56 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -142.82 134.42 26.53 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.229 -0.919 . . . . 0.35999999999999999 109.925 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.35 126.97 33.7 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.588 -0.893 . . . . 1.3700000000000001 108.588 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.24 109.56 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.46999999999999997 109.203 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.32 149.61 38.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.598 -0.689 . . . . 2.1000000000000001 109.792 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.1 114.24 1.35 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.962 -1.255 . . . . 0.41999999999999998 109.962 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 335' ' ' ARG . 11.4 ttt-85 -65.24 -37.15 86.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -1.14 . . . . 2.6800000000000002 108.75 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.9 -51.88 68.12 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.439 -0.788 . . . . 2.2200000000000002 109.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.497 ' HG3' HH11 ' A' ' 337' ' ' ARG . 21.0 ttm-85 -65.18 -36.11 83.17 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.232 -0.917 . . . . 2.77 109.938 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.47 -52.33 47.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.42999999999999999 109.169 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.87 -38.72 70.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 1.6599999999999999 109.176 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.85 -53.88 47.41 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.433 -0.792 . . . . 0.44 110.324 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.34 -47.19 87.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.154 -0.966 . . . . 0.28999999999999998 109.065 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.75 -42.13 62.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.158 -0.964 . . . . 2.4399999999999999 109.347 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.59 -48.29 82.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 1.74 109.806 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.49 -39.52 88.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.139 -0.975 . . . . 0.29999999999999999 108.831 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.38 -56.12 26.16 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.533 -0.729 . . . . 1.22 109.287 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 1.72 110.277 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.79 11.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.27000000000000002 110.194 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.86 -40.77 94.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.253 -0.905 . . . . 0.28999999999999998 109.643 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.35 -33.82 72.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 1.9099999999999999 109.239 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.36 -51.79 58.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.40999999999999998 109.569 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -62.9 -41.05 99.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.366 -0.834 . . . . 1.5600000000000001 109.099 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.78 -36.64 70.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 1.4299999999999999 109.483 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.86 68.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.66000000000000003 109.64 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.1799999999999999 109.699 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.256 0.551 . . . . 1.6100000000000001 109.623 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -96.19 144.97 25.93 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.193 -0.942 . . . . 0.56999999999999995 109.528 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -134.57 -172.6 3.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.337 -0.852 . . . . 0.53000000000000003 109.523 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 63.1 p -149.55 150.75 32.73 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.51 -0.922 . . . . 0.38 108.51 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.82 134.49 26.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.264 -0.897 . . . . 0.35999999999999999 109.918 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.53 127.0 33.8 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.49 -0.929 . . . . 1.3600000000000001 108.49 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.26 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.387 -0.821 . . . . 0.48999999999999999 109.238 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.72 38.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.632 -0.667 . . . . 2.1000000000000001 109.831 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 114.19 1.33 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.948 -1.261 . . . . 0.44 109.948 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' B' ' 335' ' ' ARG . 11.3 ttt-85 -65.13 -37.21 86.69 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -1.096 . . . . 2.7200000000000002 108.777 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.89 -51.87 68.17 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.75 . . . . 2.21 109.865 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.489 HH11 ' HG3' ' B' ' 337' ' ' ARG . 21.0 ttm-85 -65.16 -36.08 83.11 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.267 -0.896 . . . . 2.79 109.933 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.55 -52.33 47.98 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.273 -0.892 . . . . 0.45000000000000001 109.133 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -38.64 70.36 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 109.252 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.94 -53.91 46.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.503 -0.748 . . . . 0.42999999999999999 110.308 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.33 -47.22 86.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.137 -0.977 . . . . 0.28000000000000003 109.096 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.7 -42.09 61.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.221 -0.925 . . . . 2.52 109.385 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.31 82.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -0.976 . . . . 1.75 109.831 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.41 -39.61 88.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 0.31 108.857 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.39 -56.1 26.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.434 -0.791 . . . . 1.21 109.236 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.02 -38.1 89.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.194 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.41 -57.8 11.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.201 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.83 -40.8 94.17 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.277 -0.889 . . . . 0.29999999999999999 109.604 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.34 -33.91 73.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.077 -1.015 . . . . 1.9299999999999999 109.155 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.37 -51.8 57.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.372 -0.83 . . . . 0.40000000000000002 109.574 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.84 -41.12 99.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.331 -0.856 . . . . 1.5900000000000001 109.037 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.74 -36.65 70.0 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.564 -0.71 . . . . 1.4299999999999999 109.508 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.65000000000000002 109.608 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.23 0.538 . . . . 2.1099999999999999 109.639 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.23 144.89 26.02 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.206 -0.934 . . . . 0.64000000000000001 109.518 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.45 -172.66 3.07 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.48999999999999999 109.544 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 62.9 p -149.54 150.55 32.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.238 -0.914 . . . . 0.46999999999999997 108.542 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 134.43 26.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.169 -0.957 . . . . 0.41999999999999998 109.94 -178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.45 127.06 33.8 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.469 -0.937 . . . . 1.8100000000000001 108.469 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.0 mt -123.29 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.569 -0.707 . . . . 0.41999999999999998 109.244 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.64 38.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.578 -0.701 . . . . 2.3500000000000001 109.797 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 114.18 1.35 Allowed Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.946 -1.262 . . . . 0.40999999999999998 109.946 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' C' ' 335' ' ' ARG . 11.3 ttt-85 -65.24 -37.12 86.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.237 -1.155 . . . . 2.5899999999999999 108.773 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.83 -51.98 67.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.393 -0.817 . . . . 2.54 109.82 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' C' ' 337' ' ' ARG . 21.1 ttm-85 -65.15 -36.14 83.32 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.288 -0.883 . . . . 3.3900000000000001 109.84 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.53 -52.37 47.58 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.46999999999999997 109.124 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.8 -38.72 70.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 1.6599999999999999 109.165 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.93 -53.9 46.88 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.488 -0.757 . . . . 0.60999999999999999 110.245 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.3 -47.17 87.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.198 -0.939 . . . . 0.33000000000000002 109.094 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -51.83 -42.13 62.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.298 -0.877 . . . . 3.2799999999999998 109.33 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.19 82.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.133 -0.979 . . . . 1.78 109.914 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.55 -39.45 87.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.211 -0.93 . . . . 0.38 108.865 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.45 -56.07 26.82 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.425 -0.797 . . . . 1.2 109.271 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.1 -38.01 89.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.463 -0.773 . . . . 2.1200000000000001 110.18 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.64 11.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.107 -0.996 . . . . 0.26000000000000001 110.203 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.01 -40.71 94.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.40000000000000002 109.551 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.38 -33.87 73.08 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.167 -0.958 . . . . 2.0899999999999999 109.253 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.42 -51.73 58.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.75 109.601 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.87 -41.13 99.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 2.1899999999999999 109.067 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -56.73 -36.64 69.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.504 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.71999999999999997 109.713 -179.871 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.229 0.538 . . . . 1.6699999999999999 109.628 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -96.17 145.01 25.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.249 -0.907 . . . . 0.60999999999999999 109.511 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.63 -172.72 3.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.355 -0.84 . . . . 0.56000000000000005 109.567 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 62.4 p -149.53 150.77 32.8 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.434 -0.95 . . . . 0.42999999999999999 108.434 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.81 134.47 26.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.231 -0.918 . . . . 0.34999999999999998 109.912 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.54 127.03 33.83 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.49 -0.93 . . . . 1.3700000000000001 108.49 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.3 109.51 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.431 -0.793 . . . . 0.47999999999999998 109.221 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.34 149.59 38.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.645 -0.659 . . . . 2.0800000000000001 109.863 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.11 114.26 1.35 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.973 -1.251 . . . . 0.40000000000000002 109.973 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.479 HH11 ' HG2' ' D' ' 335' ' ' ARG . 11.2 ttt-85 -65.25 -37.2 86.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.274 -1.133 . . . . 2.6400000000000001 108.696 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.82 -51.97 67.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 2.2200000000000002 109.8 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.477 ' HG3' HH11 ' D' ' 337' ' ' ARG . 21.1 ttm-85 -65.02 -36.21 83.67 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.18 -0.95 . . . . 2.7400000000000002 109.926 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.48 -52.39 47.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 0.42999999999999999 109.117 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.79 -38.72 70.31 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.222 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.88 -53.96 46.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.491 -0.756 . . . . 0.42999999999999999 110.249 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.27 -47.2 87.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.27000000000000002 109.104 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.73 -42.1 62.02 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.245 -0.909 . . . . 2.4500000000000002 109.376 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.67 -48.19 82.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.091 -1.006 . . . . 1.75 109.819 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.51 -39.51 88.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.233 -0.917 . . . . 0.31 108.809 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.37 -56.26 24.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.408 -0.807 . . . . 1.22 109.175 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -62.92 -38.12 89.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.442 -0.786 . . . . 1.73 110.289 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.39 -57.77 11.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.15 -0.969 . . . . 0.28000000000000003 110.235 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -40.86 94.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 0.31 109.585 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.22 -33.93 72.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.174 -0.954 . . . . 1.9099999999999999 109.283 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.38 -51.77 58.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.87 . . . . 0.42999999999999999 109.591 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.85 -41.07 99.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.35 -0.844 . . . . 1.5700000000000001 109.06 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -56.83 -36.65 70.21 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.467 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.95 68.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.64000000000000001 109.639 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 1.21 109.65 -179.836 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.321 0.581 . . . . 1.7 109.609 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -95.16 158.06 15.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.228 -0.92 . . . . 0.60999999999999999 109.633 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -137.05 -168.27 2.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.399 -0.813 . . . . 0.57999999999999996 109.484 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.0 143.33 23.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.41999999999999998 108.729 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.8 tp -139.01 137.5 36.39 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 0.35999999999999999 109.834 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.46 131.25 34.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.406 -0.961 . . . . 1.3700000000000001 108.406 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.7 mt -123.42 116.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.376 -0.828 . . . . 0.46999999999999997 109.512 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 31.3 ttt-85 -75.16 151.36 38.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.604 -0.685 . . . . 2.1000000000000001 109.74 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.66 132.89 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.269 -1.133 . . . . 0.41999999999999998 110.269 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.43 -48.08 14.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.389 -1.066 . . . . 2.6800000000000002 109.38 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.637 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 1.6 pm0 -59.21 -39.71 83.51 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.087 -1.008 . . . . 2.2200000000000002 108.901 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.55 -41.44 98.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.904 . . . . 2.77 109.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.57 -57.08 13.41 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.619 -0.676 . . . . 0.42999999999999999 110.009 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.444 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 80.1 mm-40 -51.28 -37.52 47.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 109.859 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.62 58.97 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.883 . . . . 0.44 110.318 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -61.14 -43.63 98.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.013 . . . . 0.28999999999999998 109.142 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 41.7 ttp180 -51.42 -44.77 62.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.181 -0.949 . . . . 2.4399999999999999 109.203 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.31 -47.52 85.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.836 . . . . 1.74 109.831 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.76 -41.01 94.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.29999999999999999 109.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.99 -54.49 46.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.885 . . . . 1.22 109.318 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' B' ' 351' ' ' LYS . 61.3 tt0 -63.74 -31.14 72.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 1.72 109.373 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -52.82 64.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.27000000000000002 109.867 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.33 -45.25 95.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.212 -0.93 . . . . 0.28999999999999998 109.211 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.93 -36.05 74.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.201 -0.937 . . . . 1.9099999999999999 109.358 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.72 -48.24 77.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.40999999999999998 109.253 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.19 -46.92 84.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.381 -0.825 . . . . 1.5600000000000001 108.945 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.09 63.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.733 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.08 73.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.209 -0.932 . . . . 0.66000000000000003 109.605 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.457 HE22 HD11 ' B' ' 350' ' ' LEU . 58.4 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 1.1799999999999999 109.38 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.268 0.556 . . . . 1.6100000000000001 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.21 157.9 15.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.19 -0.944 . . . . 0.56999999999999995 109.615 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.91 -168.15 2.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.53000000000000003 109.482 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -152.07 143.38 23.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.252 -0.905 . . . . 0.38 108.696 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.9 tp -139.08 137.58 36.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.381 -0.824 . . . . 0.35999999999999999 109.839 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.51 131.32 34.39 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.393 -0.966 . . . . 1.3600000000000001 108.393 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.45 116.89 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.458 -0.776 . . . . 0.48999999999999999 109.523 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.18 151.37 38.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.69 -0.631 . . . . 2.1000000000000001 109.669 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 132.78 2.55 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.267 -1.133 . . . . 0.44 110.267 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.29 -48.29 14.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -1.099 . . . . 2.7200000000000002 109.3 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.646 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 1.6 pm0 -59.17 -39.67 83.23 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.104 -0.997 . . . . 2.21 108.92 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.57 -41.43 98.38 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 2.79 109.191 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.55 -57.18 13.0 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.618 -0.676 . . . . 0.45000000000000001 109.967 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.454 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 80.3 mm-40 -51.21 -37.58 47.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.6799999999999999 109.807 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.67 58.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.235 -0.916 . . . . 0.42999999999999999 110.29 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -61.09 -43.64 98.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.02 -1.05 . . . . 0.28000000000000003 109.189 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 41.6 ttp180 -51.38 -44.76 62.22 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.192 -0.942 . . . . 2.52 109.217 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.37 -47.53 85.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 1.75 109.784 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.75 -40.93 94.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.31 109.057 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -58.11 -54.5 46.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 1.21 109.198 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.74 -31.2 72.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 1.6899999999999999 109.405 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.79 -52.79 64.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.27000000000000002 109.949 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.37 -45.13 95.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 0.29999999999999999 109.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.04 -36.0 74.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.301 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.457 HD11 HE22 ' A' ' 354' ' ' GLN . 45.8 tp -63.71 -48.13 78.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -0.861 . . . . 0.40000000000000002 109.267 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' A' ' 346' ' ' GLU . 15.0 ttmm -63.39 -46.84 84.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.402 -0.811 . . . . 1.5900000000000001 108.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.02 63.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.645 -0.659 . . . . 1.4299999999999999 109.683 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.65000000000000002 109.642 -179.784 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.31 0.576 . . . . 2.1099999999999999 109.631 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.11 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.157 -0.964 . . . . 0.64000000000000001 109.694 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.02 -168.25 2.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.478 -0.764 . . . . 0.48999999999999999 109.44 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.04 143.29 23.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.23 -0.919 . . . . 0.46999999999999997 108.772 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.01 137.55 36.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.378 -0.826 . . . . 0.41999999999999998 109.814 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.53 131.22 34.4 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.375 -0.972 . . . . 1.8100000000000001 108.375 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.4 116.93 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.452 -0.78 . . . . 0.41999999999999998 109.446 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.405 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 31.5 ttt-85 -75.25 151.42 38.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.534 -0.729 . . . . 2.3500000000000001 109.608 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.64 132.87 2.54 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.25 -1.14 . . . . 0.40999999999999998 110.25 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.36 -48.17 14.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.327 -1.102 . . . . 2.5899999999999999 109.38 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 1.6 pm0 -59.18 -39.7 83.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.07 -1.019 . . . . 2.54 108.914 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.58 -41.37 98.38 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.358 -0.838 . . . . 3.3900000000000001 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -55.64 -57.08 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.639 -0.663 . . . . 0.46999999999999997 109.955 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 80.2 mm-40 -51.26 -37.56 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.815 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.91 -52.64 58.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.60999999999999999 110.341 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.04 -43.71 98.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.33000000000000002 109.206 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 41.6 ttp180 -51.36 -44.77 62.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.201 -0.937 . . . . 3.2799999999999998 109.16 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.42 -47.34 86.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -0.832 . . . . 1.78 109.845 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.91 -40.93 95.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 0.38 108.991 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.09 -54.42 47.17 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 1.2 109.274 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -63.84 -31.03 72.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 2.1200000000000001 109.452 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.89 63.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.26000000000000001 109.867 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.28 -45.17 95.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.40000000000000002 109.306 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.14 -36.0 74.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.313 -0.867 . . . . 2.0899999999999999 109.259 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.71 -48.24 77.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.336 -0.852 . . . . 0.75 109.282 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -63.26 -46.89 84.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 2.1899999999999999 108.891 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.98 -29.99 63.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.781 -0.574 . . . . 1.3400000000000001 109.606 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.71999999999999997 109.614 -179.771 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.274 0.559 . . . . 1.6699999999999999 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.11 158.03 15.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.945 . . . . 0.60999999999999999 109.634 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.98 -168.2 2.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.418 -0.801 . . . . 0.56000000000000005 109.427 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -152.08 143.29 23.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.305 -0.872 . . . . 0.42999999999999999 108.78 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.0 137.5 36.39 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.82 . . . . 0.34999999999999998 109.805 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -85.46 131.18 34.42 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.424 -0.954 . . . . 1.3700000000000001 108.424 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 116.86 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.49 -0.756 . . . . 0.47999999999999998 109.503 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.18 151.34 38.5 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.598 -0.689 . . . . 2.0800000000000001 109.668 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.74 132.81 2.57 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.247 -1.141 . . . . 0.40000000000000002 110.247 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.29 -48.21 14.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.09 . . . . 2.6400000000000001 109.339 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.628 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 1.6 pm0 -59.22 -39.61 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.038 -1.039 . . . . 2.2200000000000002 108.904 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.55 -41.52 98.43 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.276 -0.89 . . . . 2.7400000000000002 109.161 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.6 -57.11 13.32 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.66 -0.65 . . . . 0.42999999999999999 109.926 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.457 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 80.3 mm-40 -51.27 -37.56 47.9 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.272 -0.892 . . . . 1.6899999999999999 109.849 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.88 -52.68 58.85 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.233 -0.917 . . . . 0.42999999999999999 110.312 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.27000000000000002 109.242 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.457 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 41.7 ttp180 -51.44 -44.75 62.44 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.156 -0.965 . . . . 2.4500000000000002 109.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.38 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.75 109.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.9 -40.94 94.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.31 108.997 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.08 -54.43 47.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.285 -0.884 . . . . 1.22 109.248 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -63.78 -31.08 72.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 1.73 109.405 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.89 63.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.28000000000000003 109.931 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.26 -45.23 95.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -0.919 . . . . 0.31 109.266 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.128 -0.982 . . . . 1.9099999999999999 109.334 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.8 -48.17 77.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.42999999999999999 109.224 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.28 -46.91 84.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.403 -0.811 . . . . 1.5700000000000001 108.851 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.14 63.52 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.647 -0.658 . . . . 1.4399999999999999 109.679 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.16 73.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.64000000000000001 109.621 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 1.21 109.426 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.205 0.526 . . . . 1.7 109.693 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.31 155.77 16.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.92 . . . . 0.60999999999999999 109.414 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.72 1.67 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.242 -0.911 . . . . 0.57999999999999996 109.533 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.9 p -152.12 147.42 26.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.245 -0.91 . . . . 0.41999999999999998 109.131 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.01 133.89 36.01 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.418 -0.801 . . . . 0.35999999999999999 110.187 -178.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.23 129.34 34.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 1.3700000000000001 109.13 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.96 119.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.506 -0.746 . . . . 0.46999999999999997 109.188 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.22 152.02 39.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.64 -0.663 . . . . 2.1000000000000001 110.214 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.63 139.93 2.47 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.321 -1.111 . . . . 0.41999999999999998 110.321 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.485 ' HG3' HH11 ' A' ' 335' ' ' ARG . 6.6 ttm-85 -79.78 -44.55 20.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.415 -1.05 . . . . 2.6800000000000002 109.227 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.03 -41.93 84.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 2.2200000000000002 109.121 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -62.49 -43.44 98.81 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.392 -0.817 . . . . 2.77 109.015 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.84 -57.9 10.1 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.621 -0.674 . . . . 0.42999999999999999 109.609 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 30.6 mm-40 -51.66 -39.29 57.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 109.856 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.68 -52.41 60.76 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.227 -0.92 . . . . 0.44 110.225 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.11 -47.29 86.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.099 -1.001 . . . . 0.28999999999999998 109.243 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 42.2 ttp180 -50.92 -42.39 59.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 2.4399999999999999 109.543 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.86 -41.85 87.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.917 . . . . 1.74 109.784 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.11 -47.98 82.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.166 -0.959 . . . . 0.29999999999999999 109.36 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.51 -47.71 78.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.154 -0.966 . . . . 1.22 109.516 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -39.62 93.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 1.72 109.765 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -50.61 73.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 0.27000000000000002 109.723 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.06 -44.5 96.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 0.28999999999999998 109.682 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.73 -33.97 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.426 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' B' ' 350' ' ' LEU . 2.4 tt -64.93 -52.23 57.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.40999999999999998 109.317 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.26 -44.29 97.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.341 -0.849 . . . . 1.5600000000000001 109.245 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.93 -35.15 68.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.533 -0.73 . . . . 1.4299999999999999 109.53 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.79 84.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.66000000000000003 109.682 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.1799999999999999 109.642 -179.761 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.199 0.523 . . . . 1.6100000000000001 109.687 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.42 155.8 16.79 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.282 -0.886 . . . . 0.56999999999999995 109.465 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.15 -164.74 1.68 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.363 -0.836 . . . . 0.53000000000000003 109.495 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.6 p -151.99 147.61 26.75 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.9 tp -137.29 133.74 35.33 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.462 -0.774 . . . . 0.35999999999999999 110.17 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.15 129.39 34.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.492 -0.755 . . . . 1.3600000000000001 109.076 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.02 119.04 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.522 -0.736 . . . . 0.48999999999999999 109.203 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.23 152.03 39.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.588 -0.695 . . . . 2.1000000000000001 110.153 -179.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.47 139.99 2.42 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.381 -1.088 . . . . 0.44 110.381 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 335' ' ' ARG . 6.5 ttm-85 -79.78 -44.57 20.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -1.032 . . . . 2.7200000000000002 109.228 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 2.21 109.058 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.54 -43.44 98.8 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.331 -0.856 . . . . 2.79 109.007 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.68 -57.98 9.72 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.646 -0.659 . . . . 0.45000000000000001 109.644 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 30.7 mm-40 -51.67 -39.34 58.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.339 -0.85 . . . . 1.6799999999999999 109.741 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.69 -52.46 60.53 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.234 -0.916 . . . . 0.42999999999999999 110.182 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.02 -47.37 86.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 0.28000000000000003 109.214 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 42.1 ttp180 -50.97 -42.33 59.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.239 -0.913 . . . . 2.52 109.536 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.82 -41.93 87.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.909 . . . . 1.75 109.782 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.02 -48.02 82.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.161 -0.962 . . . . 0.31 109.397 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -56.46 -47.73 78.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 1.21 109.515 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.34 -39.85 94.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.932 . . . . 1.6899999999999999 109.744 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.67 72.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.733 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.08 -44.6 96.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.29999999999999999 109.607 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.63 -33.89 72.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 109.516 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -65.12 -52.16 57.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.408 -0.808 . . . . 0.40000000000000002 109.247 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.21 -44.35 97.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 1.5900000000000001 109.187 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 -35.16 68.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.503 -0.748 . . . . 1.4299999999999999 109.508 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 0.65000000000000002 109.7 -179.892 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.243 0.544 . . . . 2.1099999999999999 109.664 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.41 155.83 16.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.287 -0.883 . . . . 0.64000000000000001 109.388 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.8 1.68 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.48999999999999999 109.5 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.7 p -152.07 147.42 26.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.149 -0.97 . . . . 0.46999999999999997 109.171 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.0 133.81 35.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 110.312 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.12 129.46 34.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.458 -0.776 . . . . 1.8100000000000001 109.08 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -124.11 118.88 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.437 -0.789 . . . . 0.41999999999999998 109.259 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.14 151.99 39.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 2.3500000000000001 110.278 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.61 140.1 2.5 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.282 -1.127 . . . . 0.40999999999999998 110.282 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.466 HH11 ' HG3' ' C' ' 335' ' ' ARG . 6.6 ttm-85 -79.93 -44.51 20.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -1.087 . . . . 2.5899999999999999 109.247 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.08 -41.92 84.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 2.54 109.106 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.289 -0.882 . . . . 3.3900000000000001 109.061 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.83 -57.88 10.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.666 -0.646 . . . . 0.46999999999999997 109.641 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 30.5 mm-40 -51.7 -39.19 57.9 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.818 . . . . 1.6599999999999999 109.852 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.5 ttp -63.8 -52.4 60.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.213 -0.929 . . . . 0.60999999999999999 110.168 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.18 -47.28 86.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.181 -0.95 . . . . 0.33000000000000002 109.16 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 42.2 ttp180 -50.86 -42.42 58.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.222 -0.924 . . . . 3.2799999999999998 109.588 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.82 -41.95 88.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.294 -0.879 . . . . 1.78 109.773 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.0 -47.96 82.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.899 . . . . 0.38 109.38 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -56.55 -47.74 78.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.877 . . . . 1.2 109.495 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.28 -39.8 94.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 2.1200000000000001 109.729 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.95 -50.76 72.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.199 -0.938 . . . . 0.26000000000000001 109.679 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.02 -44.62 96.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.354 -0.841 . . . . 0.40000000000000002 109.654 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -33.94 72.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 2.0899999999999999 109.482 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -65.03 -52.24 57.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.384 -0.823 . . . . 0.75 109.217 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.16 -44.36 97.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.326 -0.859 . . . . 2.1899999999999999 109.22 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.85 -35.26 68.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.473 -0.767 . . . . 1.3400000000000001 109.506 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.71999999999999997 109.707 -179.857 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.257 0.551 . . . . 1.6699999999999999 109.729 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.37 155.81 16.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.219 -0.925 . . . . 0.60999999999999999 109.434 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.12 -164.67 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.345 -0.847 . . . . 0.56000000000000005 109.571 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.1 p -152.02 147.56 26.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.252 -0.905 . . . . 0.42999999999999999 109.157 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.14 133.82 35.71 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.34999999999999998 110.232 -178.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.14 129.4 34.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.484 -0.76 . . . . 1.3700000000000001 109.098 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.08 119.04 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.515 -0.74 . . . . 0.47999999999999998 109.207 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.18 152.07 39.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 2.0800000000000001 110.223 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.48 140.04 2.44 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.335 -1.106 . . . . 0.40000000000000002 110.335 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.486 HH11 ' HG3' ' D' ' 335' ' ' ARG . 6.6 ttm-85 -79.84 -44.54 20.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 2.6400000000000001 109.215 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.1 -41.88 84.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.038 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.51 -43.5 98.67 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.293 -0.879 . . . . 2.7400000000000002 108.993 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.68 -57.94 9.9 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.404 0.621 . . . . 0.42999999999999999 109.665 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 30.5 mm-40 -51.66 -39.38 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 1.6899999999999999 109.798 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.57 -52.52 60.67 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.252 -0.905 . . . . 0.42999999999999999 110.182 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.07 -47.35 86.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.27000000000000002 109.151 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 42.2 ttp180 -50.87 -42.45 58.92 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.289 -0.882 . . . . 2.4500000000000002 109.548 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.88 -41.82 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 1.75 109.706 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.971 . . . . 0.31 109.325 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.41 -47.76 78.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.22 109.534 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.33 -39.91 94.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.73 109.745 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.76 -50.84 72.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.198 -0.939 . . . . 0.28000000000000003 109.712 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.99 -44.59 96.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.387 -0.82 . . . . 0.31 109.65 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.67 -33.96 72.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.147 -0.971 . . . . 1.9099999999999999 109.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' C' ' 350' ' ' LEU . 2.4 tt -64.89 -52.35 57.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 0.42999999999999999 109.248 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.2 -44.29 97.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.263 -0.898 . . . . 1.5700000000000001 109.225 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.84 -35.33 68.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.542 -0.724 . . . . 1.4399999999999999 109.51 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.76 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.64000000000000001 109.751 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 1.21 109.69 -179.817 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.603 -0.518 . . . . 1.7 109.603 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -94.01 155.11 17.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.391 -0.818 . . . . 0.60999999999999999 109.517 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.504 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 88.1 m-85 -136.59 -170.0 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.742 . . . . 0.57999999999999996 109.162 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.65 150.42 30.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.285 -0.885 . . . . 0.41999999999999998 108.921 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -145.85 136.79 24.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.832 . . . . 0.35999999999999999 109.752 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 26.3 tp60 -84.68 129.68 34.8 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.89 114.72 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.46 -0.775 . . . . 0.46999999999999997 109.537 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.84 151.1 39.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.67 -0.644 . . . . 2.1000000000000001 110.01 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.58 2.07 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.372 -1.091 . . . . 0.41999999999999998 110.372 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.534 ' HG2' ' NH1' ' A' ' 335' ' ' ARG . 3.7 tpt180 -78.57 -46.76 18.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.417 -1.049 . . . . 2.6800000000000002 108.974 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.31 -43.85 83.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.187 -0.945 . . . . 2.2200000000000002 108.842 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.79 -42.94 99.64 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.453 -0.779 . . . . 2.77 109.087 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.57 -57.3 12.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.42999999999999999 109.774 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -52.02 -37.07 52.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.312 -0.868 . . . . 1.6599999999999999 109.72 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.3 -53.23 56.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.249 -0.907 . . . . 0.44 110.067 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.58 -43.96 97.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.28999999999999998 109.296 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.21 -43.33 61.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.876 . . . . 2.4399999999999999 109.312 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.39 -45.56 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 1.74 109.552 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.8 -44.57 96.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.23 -0.919 . . . . 0.29999999999999999 109.253 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.95 -51.11 71.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.851 . . . . 1.22 109.37 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.79 -36.45 81.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 1.72 109.365 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.65 -51.16 71.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.386 -0.822 . . . . 0.27000000000000002 109.565 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.16 -42.34 99.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 0.28999999999999998 109.35 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.42 -40.97 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 108.963 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.43 -42.2 98.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.277 -0.889 . . . . 0.40999999999999998 108.654 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.17 -46.48 88.75 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.639 -0.874 . . . . 1.5600000000000001 108.639 178.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -34.69 67.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.758 -0.588 . . . . 1.4299999999999999 109.42 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -26.72 67.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.66000000000000003 109.244 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.362 -0.836 . . . . 1.1799999999999999 109.339 179.713 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.591 -0.522 . . . . 1.6100000000000001 109.591 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -93.99 155.16 17.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 0.56999999999999995 109.43 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.523 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 87.8 m-85 -136.58 -169.88 2.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.473 -0.767 . . . . 0.53000000000000003 109.122 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.8 p -151.68 150.58 30.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.255 -0.903 . . . . 0.38 108.952 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -145.98 136.72 24.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.35999999999999999 109.83 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 26.2 tp60 -84.66 129.68 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.57 -0.9 . . . . 1.3600000000000001 108.57 178.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.88 114.62 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.48 -0.762 . . . . 0.48999999999999999 109.55 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.69 151.13 39.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.703 -0.623 . . . . 2.1000000000000001 110.166 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 133.35 2.0 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.314 -1.114 . . . . 0.44 110.314 178.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.544 ' HG2' ' NH1' ' B' ' 335' ' ' ARG . 3.7 tpt180 -78.44 -46.64 19.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -1.04 . . . . 2.7200000000000002 108.981 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.32 -44.17 83.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.135 -0.978 . . . . 2.21 108.717 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.71 -42.75 99.37 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 2.79 109.027 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.69 -57.34 12.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.592 -0.693 . . . . 0.45000000000000001 109.733 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.96 -37.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 1.6799999999999999 109.786 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.3 55.19 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.248 -0.908 . . . . 0.42999999999999999 110.083 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.28000000000000003 109.356 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.29 -43.35 61.62 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.339 -0.85 . . . . 2.52 109.294 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.55 93.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.75 109.585 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.85 -44.49 96.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.258 -0.901 . . . . 0.31 109.225 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.01 -51.09 71.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.286 -0.884 . . . . 1.21 109.367 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -61.85 -36.36 80.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.309 -0.87 . . . . 1.6899999999999999 109.328 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.5 -51.53 69.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 0.27000000000000002 109.61 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.07 -42.28 99.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 0.29999999999999999 109.413 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.3 -40.95 83.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 1.9299999999999999 109.011 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.7 -42.16 98.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.318 -0.864 . . . . 0.40000000000000002 108.754 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.99 -46.35 89.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.585 -0.894 . . . . 1.5900000000000001 108.585 178.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.98 67.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.725 -0.609 . . . . 1.4299999999999999 109.498 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.65000000000000002 109.195 179.943 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.26 0.553 . . . . 2.1099999999999999 109.514 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -93.94 155.07 17.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.91 . . . . 0.64000000000000001 109.454 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.502 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 88.1 m-85 -136.58 -170.13 2.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.494 -0.754 . . . . 0.48999999999999999 109.175 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.54 150.67 30.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.277 -0.89 . . . . 0.46999999999999997 108.925 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -145.95 136.91 24.53 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.41999999999999998 109.769 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 26.7 tp60 -84.72 129.62 34.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.583 -0.895 . . . . 1.8100000000000001 108.583 178.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.83 114.67 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.391 -0.818 . . . . 0.41999999999999998 109.539 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.75 150.93 39.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.589 -0.694 . . . . 2.3500000000000001 110.052 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.19 133.05 2.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.4 -1.08 . . . . 0.40999999999999998 110.4 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.534 ' HG2' ' NH1' ' C' ' 335' ' ' ARG . 3.7 tpt180 -78.13 -46.67 20.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -1.054 . . . . 2.5899999999999999 109.093 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.32 -44.18 83.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.957 . . . . 2.54 108.768 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -61.54 -42.95 99.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.418 -0.801 . . . . 3.3900000000000001 109.04 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -55.5 -57.41 12.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.551 -0.718 . . . . 0.46999999999999997 109.786 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -51.97 -36.96 51.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.717 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.34 -53.22 55.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.24 -0.913 . . . . 0.60999999999999999 110.082 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.55 -43.95 97.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.33000000000000002 109.329 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.18 -43.39 61.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.311 -0.868 . . . . 3.2799999999999998 109.42 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.37 -45.51 93.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.78 109.608 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.287 -0.883 . . . . 0.38 109.233 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.99 -51.16 70.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.375 -0.828 . . . . 1.2 109.415 179.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.88 -36.31 80.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 2.1200000000000001 109.387 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.56 -51.4 70.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.26000000000000001 109.598 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.22 -42.27 99.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.40000000000000002 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -58.26 -41.08 83.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.377 -0.827 . . . . 2.0899999999999999 108.966 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.55 -42.11 98.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 0.75 108.705 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -62.06 -46.38 89.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.571 -0.9 . . . . 2.1899999999999999 108.571 178.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.79 -34.71 67.91 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.726 -0.609 . . . . 1.3400000000000001 109.478 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.71999999999999997 109.206 179.838 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.591 -0.522 . . . . 1.6699999999999999 109.591 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.99 155.06 17.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.344 -0.847 . . . . 0.60999999999999999 109.422 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.495 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 87.6 m-85 -136.62 -169.93 2.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -0.755 . . . . 0.56000000000000005 109.149 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.7 150.4 30.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.181 -0.949 . . . . 0.42999999999999999 108.989 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.1 tp -145.88 136.85 24.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.34999999999999998 109.766 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 26.2 tp60 -84.67 129.69 34.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.578 -0.897 . . . . 1.3700000000000001 108.578 178.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.6 mt -123.96 114.85 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.47999999999999998 109.542 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.83 151.01 39.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.612 -0.68 . . . . 2.0800000000000001 110.039 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.31 2.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.409 -1.076 . . . . 0.40000000000000002 110.409 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.538 ' HG2' ' NH1' ' D' ' 335' ' ' ARG . 3.7 tpt180 -78.22 -46.79 19.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.44 -1.035 . . . . 2.6400000000000001 109.077 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.28 -44.0 83.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 108.822 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.445 -0.784 . . . . 2.7400000000000002 109.081 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.71 -57.27 12.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.544 -0.723 . . . . 0.42999999999999999 109.689 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.94 -37.21 51.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.6899999999999999 109.662 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.17 57.24 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.17 -0.956 . . . . 0.42999999999999999 110.089 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.54 -43.91 98.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.27000000000000002 109.363 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -51.29 -43.4 61.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 2.4500000000000002 109.339 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.6 92.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.319 -0.863 . . . . 1.75 109.574 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.79 -44.4 96.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.897 . . . . 0.31 109.263 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.04 -51.12 71.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.22 109.311 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -61.94 -36.21 80.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 1.73 109.342 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.31 70.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.372 -0.83 . . . . 0.28000000000000003 109.598 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.06 -42.44 99.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.223 -0.923 . . . . 0.31 109.392 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.32 -40.97 83.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.345 -0.847 . . . . 1.9099999999999999 108.96 179.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.52 -42.04 98.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.286 -0.884 . . . . 0.42999999999999999 108.687 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.23 -46.5 88.57 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.594 -0.891 . . . . 1.5700000000000001 108.594 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.74 67.63 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.721 -0.612 . . . . 1.4399999999999999 109.413 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -26.71 66.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 0.64000000000000001 109.178 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 1.21 109.329 179.756 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.284 0.564 . . . . 1.7 109.531 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.85 157.63 16.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.60999999999999999 109.458 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.8 -169.78 2.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 109.4 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.98 149.71 29.92 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.571 -0.9 . . . . 0.41999999999999998 108.571 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.27 133.29 24.22 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.35999999999999999 109.606 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -84.23 130.67 34.81 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.607 -0.886 . . . . 1.3700000000000001 108.607 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.93 117.0 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.465 -0.772 . . . . 0.46999999999999997 109.418 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.32 152.38 38.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.543 -0.723 . . . . 2.1000000000000001 109.959 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 134.23 1.3 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.386 -1.086 . . . . 0.41999999999999998 110.386 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -80.45 -43.56 20.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.399 -1.059 . . . . 2.6800000000000002 109.134 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -58.77 -42.95 90.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.154 -0.966 . . . . 2.2200000000000002 108.911 179.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.18 -41.22 99.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.385 -0.822 . . . . 2.77 109.148 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -55.77 -55.72 29.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.561 -0.712 . . . . 0.42999999999999999 109.73 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -51.59 -38.36 54.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.6599999999999999 109.823 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.39 -51.57 67.05 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.303 -0.873 . . . . 0.44 109.971 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.1 -45.01 96.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.2 -0.937 . . . . 0.28999999999999998 108.959 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.49 -42.39 61.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 2.4399999999999999 109.416 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.38 -53.39 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.874 . . . . 1.74 109.631 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.91 -38.3 81.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 0.29999999999999999 108.815 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.74 31.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.399 -0.813 . . . . 1.22 109.154 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.41 -31.71 72.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.39 -0.819 . . . . 1.72 109.356 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.56 -54.09 51.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.27000000000000002 109.915 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.0 -44.83 96.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.28999999999999998 109.253 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -58.57 -34.76 71.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 108.993 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -64.19 -50.5 67.85 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.968 -0.753 . . . . 0.40999999999999998 108.968 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.687 -0.857 . . . . 1.5600000000000001 108.687 179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.47 -32.08 64.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.205 -0.665 . . . . 1.4299999999999999 109.205 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.89 83.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.38 -0.825 . . . . 0.66000000000000003 109.569 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.287 -0.883 . . . . 1.1799999999999999 109.344 179.868 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.319 0.581 . . . . 1.6100000000000001 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -92.82 157.59 16.32 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.239 -0.913 . . . . 0.56999999999999995 109.434 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.82 -169.85 2.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.53000000000000003 109.319 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.92 149.92 30.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.579 -0.897 . . . . 0.38 108.579 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -143.37 133.32 24.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.358 -0.839 . . . . 0.35999999999999999 109.594 -178.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.17 130.59 34.83 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.85 117.0 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.427 -0.796 . . . . 0.48999999999999999 109.429 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.31 152.31 38.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.678 -0.639 . . . . 2.1000000000000001 109.931 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.37 134.49 1.35 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.362 -1.095 . . . . 0.44 110.362 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.67 -43.6 20.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.477 -1.014 . . . . 2.7200000000000002 109.035 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.68 -43.02 89.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.233 -0.917 . . . . 2.21 108.944 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.19 -41.12 99.14 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.345 -0.847 . . . . 2.79 109.133 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -55.84 -55.59 30.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.454 -0.779 . . . . 0.45000000000000001 109.769 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -51.62 -38.49 54.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.729 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -62.26 -51.67 66.8 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.227 -0.921 . . . . 0.42999999999999999 110.052 -179.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.08 -44.88 96.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.108 -0.995 . . . . 0.28000000000000003 109.007 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -51.48 -42.61 61.76 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.201 -0.937 . . . . 2.52 109.447 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.1 -53.41 58.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.872 . . . . 1.75 109.748 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.86 -38.47 82.23 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.31 108.821 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.68 31.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 1.21 109.118 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -31.78 73.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.827 . . . . 1.6899999999999999 109.361 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.67 -53.97 52.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 0.27000000000000002 109.83 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.0 -44.86 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.226 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.54 -34.75 71.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.901 . . . . 1.9299999999999999 108.942 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -64.1 -50.46 68.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.49 -0.756 . . . . 0.40000000000000002 109.001 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.29 -46.8 88.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.646 -0.872 . . . . 1.5900000000000001 108.646 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.1 64.58 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.187 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 0.65000000000000002 109.638 179.958 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.311 0.577 . . . . 2.1099999999999999 109.536 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -92.92 157.62 16.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.64000000000000001 109.505 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.78 -169.78 2.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.435 -0.791 . . . . 0.48999999999999999 109.354 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -150.95 149.75 29.99 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.552 -0.907 . . . . 0.46999999999999997 108.552 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.22 133.27 24.28 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.41999999999999998 109.657 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.25 130.55 34.81 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.576 -0.898 . . . . 1.8100000000000001 108.576 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -122.8 116.93 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.501 -0.75 . . . . 0.41999999999999998 109.409 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.31 152.34 38.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.665 . . . . 2.3500000000000001 109.949 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 134.25 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.289 -1.124 . . . . 0.40999999999999998 110.289 179.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -80.46 -43.74 20.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -1.02 . . . . 2.5899999999999999 109.114 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -58.72 -42.81 89.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.214 -0.929 . . . . 2.54 108.93 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.352 -0.843 . . . . 3.3900000000000001 109.094 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -55.74 -55.74 28.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.437 -0.79 . . . . 0.46999999999999997 109.747 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.54 -38.52 54.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.6599999999999999 109.784 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.24 -51.73 66.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.368 -0.833 . . . . 0.60999999999999999 109.992 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -44.83 96.85 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.33000000000000002 109.091 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.51 -42.42 61.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 3.2799999999999998 109.442 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.33 -53.36 58.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.78 109.738 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.97 -38.21 81.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.197 -0.939 . . . . 0.38 108.917 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -58.92 -55.74 31.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.317 -0.864 . . . . 1.2 109.106 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.43 -31.72 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.36 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -54.09 50.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.26000000000000001 109.882 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.05 -44.75 96.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.40000000000000002 109.232 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -58.63 -34.64 71.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.007 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -64.16 -50.41 68.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.45 -0.781 . . . . 0.75 108.936 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.43 -46.65 89.28 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.647 -0.872 . . . . 2.1899999999999999 108.647 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.57 -31.96 64.73 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.212 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.396 -0.815 . . . . 0.71999999999999997 109.569 179.998 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.281 0.562 . . . . 1.6699999999999999 109.53 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -92.78 157.55 16.36 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -0.866 . . . . 0.60999999999999999 109.536 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.68 -169.6 2.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.383 -0.823 . . . . 0.56000000000000005 109.365 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.5 p -151.07 149.82 29.97 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.459 -0.941 . . . . 0.42999999999999999 108.459 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -143.36 133.3 24.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.334 -0.854 . . . . 0.34999999999999998 109.611 -178.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.3 130.67 34.79 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.634 -0.876 . . . . 1.3700000000000001 108.634 179.054 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.0 mt -122.94 116.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.47 -0.769 . . . . 0.47999999999999998 109.419 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.2 152.43 38.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.57 -0.706 . . . . 2.0800000000000001 109.969 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.24 134.46 1.31 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.297 -1.121 . . . . 0.40000000000000002 110.297 179.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.64 -43.56 20.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -1.008 . . . . 2.6400000000000001 109.094 179.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.75 -43.0 90.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.866 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -63.23 -41.2 99.06 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.427 -0.796 . . . . 2.7400000000000002 109.085 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -55.68 -55.65 29.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.436 -0.79 . . . . 0.42999999999999999 109.829 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -51.63 -38.46 54.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 1.6899999999999999 109.782 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.33 -51.62 66.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.307 -0.87 . . . . 0.42999999999999999 109.941 -179.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.06 -44.85 96.77 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 109.027 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.61 -42.42 61.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.32 -0.862 . . . . 2.4500000000000002 109.414 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.29 -53.38 58.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.844 . . . . 1.75 109.693 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.98 -38.29 82.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.31 108.819 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.01 -55.63 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.818 . . . . 1.22 109.095 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.38 -31.86 73.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.73 109.373 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.63 -53.89 53.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.28000000000000003 109.916 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.99 -44.91 96.72 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.216 -0.928 . . . . 0.31 109.247 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -58.52 -34.79 71.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 1.9099999999999999 108.947 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -64.01 -50.59 67.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.472 -0.767 . . . . 0.42999999999999999 109.047 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -60.28 -46.74 88.77 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.6 -0.889 . . . . 1.5700000000000001 108.6 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.07 64.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.595 -0.69 . . . . 1.4399999999999999 109.228 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.99 83.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.886 . . . . 0.64000000000000001 109.54 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.21 109.372 179.895 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.258 0.552 . . . . 1.7 109.562 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.11 159.39 15.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 0.60999999999999999 109.732 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.39 -168.94 2.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.438 -0.789 . . . . 0.57999999999999996 109.402 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.73 146.96 26.14 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.138 -0.976 . . . . 0.41999999999999998 109.105 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -141.01 137.11 32.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.352 -0.842 . . . . 0.35999999999999999 109.894 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.49 132.74 33.92 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.056 -0.72 . . . . 1.3700000000000001 109.056 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.52 114.44 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.437 -0.789 . . . . 0.46999999999999997 108.982 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.18 146.64 43.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.524 -0.735 . . . . 2.1000000000000001 109.812 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.56 139.73 8.7 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.862 -1.295 . . . . 0.41999999999999998 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.64 -52.73 6.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -1.109 . . . . 2.6800000000000002 109.477 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.04 -35.56 71.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.365 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.52 -40.88 96.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.366 -0.834 . . . . 2.77 109.369 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.93 -53.54 55.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.587 -0.695 . . . . 0.42999999999999999 109.922 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.87 62.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 109.997 -179.581 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.32 -52.28 64.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.266 -0.897 . . . . 0.44 109.992 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.52 -43.8 98.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.28999999999999998 108.812 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.2 OUTLIER -51.73 -40.9 61.03 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.408 -0.807 . . . . 2.4399999999999999 109.289 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.42 -52.94 63.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 1.74 109.695 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.11 -38.45 83.02 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.128 -0.983 . . . . 0.29999999999999999 108.529 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.3 -55.18 38.34 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.441 -0.787 . . . . 1.22 109.188 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.13 -32.21 73.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 1.72 109.348 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.66 -51.66 68.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.27000000000000002 109.611 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.426 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.3 mt -61.57 -43.55 98.66 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 0.28999999999999998 109.493 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.41 -36.02 77.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.391 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.45 -51.96 60.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.40999999999999998 109.2 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.466 ' HZ3' ' HB2' ' B' ' 347' ' ' ALA . 3.1 ttmp? -61.74 -44.69 96.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 1.5600000000000001 109.08 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -57.99 -34.52 70.07 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.619 -0.675 . . . . 1.4299999999999999 109.574 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.48 74.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.66000000000000003 109.983 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.219 -0.926 . . . . 1.1799999999999999 109.735 -179.773 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.246 0.546 . . . . 1.6100000000000001 109.543 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.06 159.48 15.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.271 -0.893 . . . . 0.56999999999999995 109.785 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.43 -168.94 2.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.403 -0.811 . . . . 0.53000000000000003 109.361 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.7 147.05 26.24 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.38 109.059 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -141.14 137.07 32.48 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.38 -0.825 . . . . 0.35999999999999999 109.858 -178.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.58 132.81 33.93 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.974 -0.75 . . . . 1.3600000000000001 108.974 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.53 114.4 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.455 -0.778 . . . . 0.48999999999999999 108.991 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.14 146.72 43.27 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.592 -0.693 . . . . 2.1000000000000001 109.893 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.58 139.69 8.68 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.883 -1.287 . . . . 0.44 109.883 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -82.67 -52.71 6.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -1.076 . . . . 2.7200000000000002 109.461 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.17 -35.46 71.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 2.21 109.349 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.404 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.5 tpp180 -64.64 -40.78 96.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.321 -0.862 . . . . 2.79 109.365 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -55.92 -53.6 54.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.606 -0.684 . . . . 0.45000000000000001 109.899 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.54 -36.75 62.15 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.328 -0.857 . . . . 1.6799999999999999 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -52.23 64.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.199 -0.938 . . . . 0.42999999999999999 109.947 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.79 98.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.28000000000000003 108.799 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.597 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.87 60.91 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.376 -0.828 . . . . 2.52 109.373 179.666 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -52.97 62.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.3 -0.875 . . . . 1.75 109.683 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -59.98 -38.57 82.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.132 -0.98 . . . . 0.31 108.572 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.19 -55.21 37.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.536 -0.727 . . . . 1.21 109.221 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.19 -32.12 73.43 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.314 -0.866 . . . . 1.6899999999999999 109.283 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.69 -51.66 68.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.363 -0.836 . . . . 0.27000000000000002 109.547 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.433 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.55 -43.68 98.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.361 -0.837 . . . . 0.29999999999999999 109.466 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.27 -36.04 76.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.416 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.5 -51.91 60.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.40000000000000002 109.228 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.73 -44.71 96.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 1.5900000000000001 109.084 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.96 -34.54 70.03 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.549 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.192 -0.942 . . . . 0.65000000000000002 109.927 -179.562 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.552 -0.536 . . . . 2.1099999999999999 109.552 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -93.99 159.43 15.17 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.278 -0.889 . . . . 0.64000000000000001 109.737 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.43 -168.98 2.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.354 -0.841 . . . . 0.48999999999999999 109.354 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.65 147.04 26.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.251 -0.905 . . . . 0.46999999999999997 109.069 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.18 137.07 32.4 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.401 -0.812 . . . . 0.41999999999999998 109.855 -178.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.53 132.72 33.94 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.031 -0.729 . . . . 1.8100000000000001 109.031 179.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 114.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.523 -0.736 . . . . 0.41999999999999998 109.049 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.11 146.7 43.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.551 -0.718 . . . . 2.3500000000000001 109.885 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 139.69 8.64 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.931 -1.268 . . . . 0.40999999999999998 109.931 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.66 -52.71 6.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.327 -1.102 . . . . 2.5899999999999999 109.512 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.07 -35.55 71.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.54 109.416 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.426 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.5 tpp180 -64.54 -40.81 96.28 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.301 -0.874 . . . . 3.3900000000000001 109.385 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.96 -53.59 55.08 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.506 -0.746 . . . . 0.46999999999999997 109.864 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.5 -36.79 62.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 1.6599999999999999 110.01 -179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.47 -52.16 64.62 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.209 -0.932 . . . . 0.60999999999999999 109.956 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.86 98.09 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.33000000000000002 108.825 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.603 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.6 -40.96 60.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.347 -0.846 . . . . 3.2799999999999998 109.382 179.598 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.35 -52.95 63.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 1.78 109.702 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.18 -38.44 83.26 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.173 -0.954 . . . . 0.38 108.502 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.08 -55.35 36.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.521 -0.737 . . . . 1.2 109.257 179.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.05 -32.19 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.346 -0.846 . . . . 2.1200000000000001 109.347 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.73 -51.69 68.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.26000000000000001 109.515 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.0 mt -61.49 -43.72 98.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.384 -0.822 . . . . 0.40000000000000002 109.432 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.33 -35.98 76.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.297 -0.877 . . . . 2.0899999999999999 109.383 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.47 -52.03 60.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.373 -0.829 . . . . 0.75 109.207 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.66 -44.7 96.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.343 -0.848 . . . . 2.1899999999999999 109.11 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -58.03 -34.47 70.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.596 -0.69 . . . . 1.3400000000000001 109.554 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.71999999999999997 109.984 -179.652 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.447 -0.575 . . . . 1.6699999999999999 109.447 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -94.03 159.38 15.19 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.60999999999999999 109.738 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.35 -168.97 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.458 -0.776 . . . . 0.56000000000000005 109.441 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.71 147.02 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.134 -0.979 . . . . 0.42999999999999999 108.997 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.2 tp -141.1 137.05 32.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.356 -0.84 . . . . 0.34999999999999998 109.833 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.51 132.74 33.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.492 -0.755 . . . . 1.3700000000000001 109.073 179.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.5 114.33 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.43 -0.794 . . . . 0.47999999999999998 109.025 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.21 146.81 43.06 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.576 -0.702 . . . . 2.0800000000000001 109.831 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.54 139.72 8.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.914 -1.274 . . . . 0.40000000000000002 109.914 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -82.72 -52.68 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -1.069 . . . . 2.6400000000000001 109.396 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.21 -35.43 71.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.38 -0.825 . . . . 2.2200000000000002 109.356 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.433 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.5 tpp180 -64.66 -40.77 96.02 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.354 -0.841 . . . . 2.7400000000000002 109.345 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.95 -53.56 55.39 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.656 -0.653 . . . . 0.42999999999999999 109.912 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.77 62.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.373 -0.829 . . . . 1.6899999999999999 110.018 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -62.46 -52.29 64.09 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.146 -0.971 . . . . 0.42999999999999999 109.868 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -43.77 98.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.13 -0.981 . . . . 0.27000000000000002 108.816 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.89 60.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.4 -0.812 . . . . 2.4500000000000002 109.362 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.39 -53.0 62.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.208 -0.932 . . . . 1.75 109.712 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.97 -38.56 82.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.14 -0.975 . . . . 0.31 108.598 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.21 -55.2 38.07 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.483 -0.761 . . . . 1.22 109.22 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -63.04 -32.31 73.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.479 -0.763 . . . . 1.73 109.336 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.6 -51.69 68.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.28000000000000003 109.575 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.404 HD22 ' NH1' ' B' ' 337' ' ' ARG . 52.4 mt -61.44 -43.73 98.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.389 -0.819 . . . . 0.31 109.5 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.3 -35.95 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.491 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.49 -51.99 60.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.42999999999999999 109.197 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HZ3' ' HB2' ' C' ' 347' ' ' ALA . 3.1 ttmp? -61.72 -44.75 96.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.372 -0.83 . . . . 1.5700000000000001 109.077 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.94 -34.51 69.96 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.549 -0.719 . . . . 1.4399999999999999 109.615 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.44 74.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.64000000000000001 109.98 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.061 -1.024 . . . . 1.21 109.681 -179.658 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.567 -0.531 . . . . 1.7 109.567 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.38 15.7 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.27 -0.894 . . . . 0.60999999999999999 109.566 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -136.73 -169.37 2.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.831 . . . . 0.57999999999999996 109.59 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.0 146.21 26.07 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.53 -0.915 . . . . 0.41999999999999998 108.53 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.85 136.85 32.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 0.35999999999999999 109.696 -178.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.42 132.04 34.29 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.3700000000000001 108.57 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.03 114.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.398 -0.814 . . . . 0.46999999999999997 109.418 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.97 143.13 43.78 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.51 -0.744 . . . . 2.1000000000000001 109.768 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 140.86 9.48 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 110.154 -1.178 . . . . 0.41999999999999998 110.154 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -85.17 -50.4 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 2.6800000000000002 109.378 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.84 -39.29 71.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.191 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.476 -0.765 . . . . 2.77 109.571 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -58.05 9.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.548 -0.72 . . . . 0.42999999999999999 110.208 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 339' ' ' GLU . 4.3 mp0 -51.26 -36.55 42.62 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.033 -1.042 . . . . 1.6599999999999999 109.897 -179.637 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.04 58.38 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.185 -0.947 . . . . 0.44 110.163 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -43.13 99.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.28999999999999998 108.905 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.76 -42.63 62.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.253 -0.904 . . . . 2.4399999999999999 109.4 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.49 -54.46 46.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.312 -0.868 . . . . 1.74 110.018 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.12 -38.17 82.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.215 -0.928 . . . . 0.29999999999999999 108.658 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.59 -53.7 55.06 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.52 -0.737 . . . . 1.22 109.546 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -63.05 -34.34 77.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 1.72 109.807 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.71 -50.55 73.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.27000000000000002 110.031 -179.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.14 99.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.28999999999999998 109.475 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.86 -35.7 73.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.013 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.7 tt -63.42 -48.07 79.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.415 -0.803 . . . . 0.40999999999999998 109.08 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 15.4 ttmm -60.64 -39.65 89.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.247 -0.908 . . . . 1.5600000000000001 108.672 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.08 -47.41 81.08 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.322 -0.621 . . . . 1.4299999999999999 109.322 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.96 68.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -0.779 . . . . 0.66000000000000003 109.424 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.507 ' NE2' HD11 ' B' ' 350' ' ' LEU . 6.0 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 1.1799999999999999 109.295 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.528 -0.545 . . . . 1.6100000000000001 109.528 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -93.63 158.46 15.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.209 -0.932 . . . . 0.56999999999999995 109.649 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.81 -169.44 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.439 -0.788 . . . . 0.53000000000000003 109.553 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.05 146.11 25.96 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.535 -0.913 . . . . 0.38 108.535 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -140.76 136.79 32.87 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.359 -0.838 . . . . 0.35999999999999999 109.745 -178.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -85.35 132.1 34.29 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.541 -0.911 . . . . 1.3600000000000001 108.541 179.137 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.08 114.17 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.453 -0.779 . . . . 0.48999999999999999 109.336 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.12 143.23 43.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.562 -0.711 . . . . 2.1000000000000001 109.77 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.89 9.45 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.165 -1.174 . . . . 0.44 110.165 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.579 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -85.04 -50.52 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.462 -1.022 . . . . 2.7200000000000002 109.52 179.794 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.8 -39.24 71.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 2.21 109.213 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.32 -40.53 96.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.434 -0.791 . . . . 2.79 109.63 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.52 -57.95 9.79 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.551 -0.718 . . . . 0.45000000000000001 110.229 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.3 mp0 -51.31 -36.56 43.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.029 -1.044 . . . . 1.6799999999999999 109.902 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.1 ttp -63.44 -53.04 58.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.141 -0.974 . . . . 0.42999999999999999 110.201 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.96 -43.18 99.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.28000000000000003 108.93 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -51.69 -42.68 62.37 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.304 -0.872 . . . . 2.52 109.408 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.46 -54.44 46.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.75 110.028 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.1 -38.27 82.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.31 108.67 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.53 -53.68 55.28 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.444 -0.785 . . . . 1.21 109.528 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.412 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.23 77.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.381 -0.825 . . . . 1.6899999999999999 109.755 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -50.67 73.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.229 -0.919 . . . . 0.27000000000000002 109.952 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.4 -43.32 99.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.29999999999999999 109.458 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.75 -35.51 72.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.9299999999999999 109.083 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.7 tt -63.57 -48.02 79.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.527 -0.733 . . . . 0.40000000000000002 109.067 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.75 -39.57 89.21 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.259 -0.901 . . . . 1.5900000000000001 108.611 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 352' ' ' ASP . 5.8 m-20 -57.04 -47.41 81.01 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.307 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.65000000000000002 109.356 179.893 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.566 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -93.73 158.38 15.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.226 -0.921 . . . . 0.64000000000000001 109.596 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.78 -169.4 2.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.382 -0.824 . . . . 0.48999999999999999 109.503 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.06 146.17 26.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.489 -0.93 . . . . 0.46999999999999997 108.489 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.75 136.8 32.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 0.41999999999999998 109.751 -178.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.38 132.08 34.29 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.546 -0.909 . . . . 1.8100000000000001 108.546 179.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.06 114.09 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.409 -0.807 . . . . 0.41999999999999998 109.37 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.03 143.22 43.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.567 -0.708 . . . . 2.3500000000000001 109.758 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.84 9.43 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.171 -1.172 . . . . 0.40999999999999998 110.171 179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.4 OUTLIER -85.06 -50.47 7.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.415 -1.05 . . . . 2.5899999999999999 109.474 179.799 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.77 -39.31 71.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 2.54 109.223 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.24 -40.61 96.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.406 -0.809 . . . . 3.3900000000000001 109.558 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -57.98 9.64 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.542 -0.724 . . . . 0.46999999999999997 110.257 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' C' ' 339' ' ' GLU . 4.3 mp0 -51.35 -36.48 43.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.061 -1.024 . . . . 1.6599999999999999 109.846 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.1 57.48 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.151 -0.968 . . . . 0.60999999999999999 110.157 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.98 -43.11 99.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.118 -0.989 . . . . 0.33000000000000002 108.884 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.77 -42.66 62.57 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 3.2799999999999998 109.303 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.54 -54.4 46.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 1.78 110.011 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.12 -38.18 82.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.952 . . . . 0.38 108.701 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.75 54.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.468 -0.77 . . . . 1.2 109.477 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.424 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.14 76.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.415 -0.803 . . . . 2.1200000000000001 109.795 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -50.58 73.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.367 -0.833 . . . . 0.26000000000000001 109.958 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.188 -0.945 . . . . 0.40000000000000002 109.459 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -35.61 73.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 2.0899999999999999 109.051 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -63.51 -48.07 79.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.75 109.047 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.67 -39.58 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.564 -0.902 . . . . 2.1899999999999999 108.564 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.11 -47.37 81.23 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.446 0.641 . . . . 1.3400000000000001 109.278 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.397 -0.815 . . . . 0.71999999999999997 109.393 179.861 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.536 -0.542 . . . . 1.6699999999999999 109.536 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.36 15.71 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.276 -0.89 . . . . 0.60999999999999999 109.525 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.78 -169.47 2.48 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.373 -0.83 . . . . 0.56000000000000005 109.63 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -150.99 146.27 26.11 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.437 -0.949 . . . . 0.42999999999999999 108.437 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.0 tp -140.79 136.74 32.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 0.34999999999999998 109.796 -178.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.46 132.0 34.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.592 -0.892 . . . . 1.3700000000000001 108.592 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.0 114.14 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.49 -0.756 . . . . 0.47999999999999998 109.37 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.96 143.19 43.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.669 -0.645 . . . . 2.0800000000000001 109.779 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 140.89 9.47 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.118 -1.193 . . . . 0.40000000000000002 110.118 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -85.13 -50.6 7.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.394 -1.062 . . . . 2.6400000000000001 109.378 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -39.25 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.256 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.3 -40.58 96.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.463 -0.773 . . . . 2.7400000000000002 109.553 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.43 -58.07 9.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.562 -0.711 . . . . 0.42999999999999999 110.178 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' D' ' 339' ' ' GLU . 4.4 mp0 -51.23 -36.59 42.47 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.98 -1.075 . . . . 1.6899999999999999 109.866 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.43 -53.13 57.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 110.19 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.94 -43.17 99.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.974 . . . . 0.27000000000000002 108.927 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.73 -42.6 62.42 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.333 -0.854 . . . . 2.4500000000000002 109.411 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.59 -54.38 47.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.75 109.964 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.08 -38.27 82.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.107 -0.996 . . . . 0.31 108.7 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.72 54.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.48 -0.762 . . . . 1.22 109.583 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -63.06 -34.22 77.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 1.73 109.788 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.83 -50.57 73.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 0.28000000000000003 109.94 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.52 -43.15 99.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.186 -0.946 . . . . 0.31 109.443 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -35.5 73.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.9099999999999999 108.96 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.539 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.7 tt -63.62 -47.94 79.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.441 -0.787 . . . . 0.42999999999999999 108.934 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.431 ' HG3' ' HZ3' ' D' ' 351' ' ' LYS . 15.4 ttmm -60.74 -39.69 89.62 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.224 -0.922 . . . . 1.5700000000000001 108.651 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' D' ' 352' ' ' ASP . 5.7 m-20 -57.02 -47.38 81.02 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.655 -0.653 . . . . 1.4399999999999999 109.315 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.93 68.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.408 -0.808 . . . . 0.64000000000000001 109.375 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' C' ' 350' ' ' LEU . 6.0 tt0 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 1.21 109.284 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.418 -0.586 . . . . 1.7 109.418 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -95.98 152.07 18.85 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 0.60999999999999999 109.795 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.83 135.93 30.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 108.877 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.04 160.95 14.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.313 -0.867 . . . . 0.41999999999999998 109.549 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -149.24 130.68 14.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.855 . . . . 0.35999999999999999 109.598 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.99 130.12 34.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.545 -0.909 . . . . 1.3700000000000001 108.545 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 56.9 mt -123.54 109.39 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.617 -0.677 . . . . 0.46999999999999997 109.429 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.64 152.27 39.23 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 2.1000000000000001 109.342 179.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.4 130.16 5.79 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.943 -1.263 . . . . 0.41999999999999998 109.943 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.15 -55.67 5.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -1.037 . . . . 2.6800000000000002 109.627 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.37 -38.61 74.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.2200000000000002 109.611 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.9 98.13 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.259 -0.901 . . . . 2.77 109.688 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -53.93 -55.77 23.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.811 . . . . 0.42999999999999999 110.012 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -51.04 -38.4 51.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.936 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.3 -52.22 62.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.189 -0.944 . . . . 0.44 110.257 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.097 -1.002 . . . . 0.28999999999999998 109.321 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.0 -43.25 60.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.923 . . . . 2.4399999999999999 109.303 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.84 -45.64 93.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 1.74 109.573 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.75 -47.02 87.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.262 -0.899 . . . . 0.29999999999999999 109.314 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.81 -48.78 78.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 1.22 109.156 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.74 85.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.382 -0.824 . . . . 1.72 109.436 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.98 -52.75 64.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.27000000000000002 109.719 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.81 -44.22 97.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.253 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -58.06 -36.91 73.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 108.902 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.7 -41.95 98.04 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.721 -0.844 . . . . 0.40999999999999998 108.721 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.43 -48.45 77.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.863 -0.791 . . . . 1.5600000000000001 108.863 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.51 -32.44 58.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.312 0.577 . . . . 1.4299999999999999 109.615 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.77 34.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -0.909 . . . . 0.66000000000000003 109.504 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.731 ' NE2' HD21 ' B' ' 350' ' ' LEU . 23.3 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.1799999999999999 109.653 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.503 -0.555 . . . . 1.6100000000000001 109.503 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.96 152.0 18.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.331 -0.856 . . . . 0.56999999999999995 109.847 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -141.79 135.8 30.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.315 -0.866 . . . . 0.53000000000000003 108.935 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -96.92 161.01 14.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.336 -0.852 . . . . 0.38 109.591 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -149.12 130.65 14.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.328 -0.858 . . . . 0.35999999999999999 109.676 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -85.08 130.22 34.66 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.519 -0.919 . . . . 1.3600000000000001 108.519 179.159 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.52 109.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.591 -0.693 . . . . 0.48999999999999999 109.456 -179.222 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.66 152.26 39.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 2.1000000000000001 109.266 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.39 130.04 5.75 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.93 -1.268 . . . . 0.44 109.93 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.08 -55.73 5.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -1.109 . . . . 2.7200000000000002 109.619 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -57.41 -38.51 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.616 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.75 -41.86 98.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.372 -0.83 . . . . 2.79 109.716 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -53.99 -55.79 23.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.36 -0.838 . . . . 0.45000000000000001 110.021 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.86 -38.51 49.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.321 -0.862 . . . . 1.6799999999999999 109.952 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.28 -52.19 63.02 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 0.42999999999999999 110.272 -179.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.59 -44.87 95.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.076 -1.015 . . . . 0.28000000000000003 109.296 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.94 -43.24 60.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 2.52 109.305 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.93 -45.54 94.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 1.75 109.535 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.84 -46.94 87.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.31 109.312 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.76 -48.92 78.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 1.21 109.156 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.54 -37.79 85.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 1.6899999999999999 109.449 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.0 -52.75 64.44 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.393 -0.817 . . . . 0.27000000000000002 109.692 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.77 -44.3 97.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.29999999999999999 109.197 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.03 -36.95 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.929 . . . . 1.9299999999999999 108.905 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.731 HD21 ' NE2' ' A' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.40000000000000002 108.823 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.46 77.81 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.878 0.846 . . . . 1.5900000000000001 108.88 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.5 -32.49 58.05 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.743 -0.598 . . . . 1.4299999999999999 109.682 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.65000000000000002 109.585 -179.969 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.462 -0.57 . . . . 2.1099999999999999 109.462 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.96 152.08 18.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.209 -0.932 . . . . 0.64000000000000001 109.789 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -141.84 135.88 30.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.382 -0.824 . . . . 0.48999999999999999 108.85 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.02 160.92 14.07 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.383 -0.823 . . . . 0.46999999999999997 109.577 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.7 tp -149.09 130.77 15.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.41999999999999998 109.654 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -85.04 130.06 34.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.8100000000000001 108.525 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -123.54 109.45 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 CA-C-O 121.442 0.639 . . . . 0.41999999999999998 109.394 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 2.3500000000000001 109.267 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.46 130.14 5.8 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.837 -1.305 . . . . 0.40999999999999998 109.837 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.17 -55.69 5.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.329 -1.101 . . . . 2.5899999999999999 109.593 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.43 -38.55 74.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 2.54 109.584 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.92 98.14 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.322 -0.861 . . . . 3.3900000000000001 109.661 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -54.02 -55.83 23.66 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.471 -0.768 . . . . 0.46999999999999997 109.949 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.91 -38.4 49.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 110.002 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.34 -52.2 62.78 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.237 -0.914 . . . . 0.60999999999999999 110.19 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.48 -45.0 95.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.33000000000000002 109.336 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.92 -43.29 59.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.223 -0.923 . . . . 3.2799999999999998 109.285 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.86 -45.58 93.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 1.78 109.597 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.8 -46.98 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.938 . . . . 0.38 109.292 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.76 -48.87 78.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 1.2 109.15 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.61 -37.72 84.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 2.1200000000000001 109.423 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.99 -52.82 64.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.26000000000000001 109.701 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.7 -44.2 97.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.208 -0.932 . . . . 0.40000000000000002 109.283 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.13 -36.9 73.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.196 -0.94 . . . . 2.0899999999999999 108.867 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.696 HD21 ' NE2' ' D' ' 354' ' ' GLN . 4.7 tp -63.63 -42.04 98.19 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.799 -0.815 . . . . 0.75 108.799 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.44 -48.39 77.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.836 0.827 . . . . 2.1899999999999999 108.828 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -54.52 -32.52 58.26 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.311 0.577 . . . . 1.3400000000000001 109.65 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.71999999999999997 109.573 -179.952 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.478 -0.564 . . . . 1.6699999999999999 109.478 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -96.06 152.14 18.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.257 -0.902 . . . . 0.60999999999999999 109.751 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.89 135.86 29.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -0.805 . . . . 0.56000000000000005 108.896 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -96.99 161.09 13.99 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.552 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -149.25 130.65 14.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.34999999999999998 109.68 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.97 130.11 34.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.554 -0.906 . . . . 1.3700000000000001 108.554 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.0 mt -123.54 109.34 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 CA-C-O 121.451 0.643 . . . . 0.47999999999999998 109.478 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -74.57 152.29 39.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.396 -0.815 . . . . 2.0800000000000001 109.351 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.41 130.06 5.76 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.913 -1.275 . . . . 0.40000000000000002 109.913 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.03 -55.77 5.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 2.6400000000000001 109.62 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.34 -38.54 74.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 2.2200000000000002 109.631 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.74 -41.77 98.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.376 -0.827 . . . . 2.7400000000000002 109.716 -179.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.04 -55.77 24.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.775 . . . . 0.42999999999999999 109.997 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.97 -38.4 50.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.952 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.41 -52.21 62.54 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.225 -0.922 . . . . 0.42999999999999999 110.165 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.92 95.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.965 . . . . 0.27000000000000002 109.346 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.97 -43.16 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.236 -0.915 . . . . 2.4500000000000002 109.378 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.88 -45.64 93.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.75 109.53 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.75 -46.97 87.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.31 109.367 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.82 -48.8 78.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.12 -0.987 . . . . 1.22 109.185 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.75 85.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 1.73 109.39 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.97 -52.84 64.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.28000000000000003 109.678 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.8 -44.09 97.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.31 109.263 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.25 -36.88 73.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 1.9099999999999999 108.852 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.67 -41.96 98.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.377 -0.827 . . . . 0.42999999999999999 108.809 179.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.43 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.876 0.846 . . . . 1.5700000000000001 108.869 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.53 -32.59 58.47 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.768 -0.582 . . . . 1.4399999999999999 109.521 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.59 36.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.331 -0.856 . . . . 0.64000000000000001 109.572 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.696 ' NE2' HD21 ' C' ' 350' ' ' LEU . 23.2 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.374 -0.829 . . . . 1.21 109.647 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.41 -0.589 . . . . 1.7 109.41 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.484 -0.76 . . . . 0.60999999999999999 109.697 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.82 -170.75 2.76 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.404 -0.81 . . . . 0.57999999999999996 109.135 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.76 149.38 28.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 0.41999999999999998 108.558 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.5 tp -142.6 131.99 23.58 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.282 -0.886 . . . . 0.35999999999999999 109.911 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.13 128.13 34.53 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.719 -0.845 . . . . 1.3700000000000001 108.719 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.06 117.48 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.469 -0.769 . . . . 0.46999999999999997 109.658 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.65 149.71 36.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.501 -0.749 . . . . 2.1000000000000001 109.769 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.22 138.42 6.13 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.538 -1.025 . . . . 0.41999999999999998 110.538 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 335' ' ' ARG . 7.7 ttm-85 -83.62 -51.37 7.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.435 -1.038 . . . . 2.6800000000000002 109.171 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -58.24 -38.95 77.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.413 -0.805 . . . . 2.2200000000000002 109.151 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.93 -45.96 86.86 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.562 -0.903 . . . . 2.77 108.562 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.87 -50.41 70.71 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.396 0.617 . . . . 0.42999999999999999 109.562 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.85 -38.22 61.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.889 -179.703 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.18 -50.08 73.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.249 -0.907 . . . . 0.44 110.087 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.211 -0.93 . . . . 0.28999999999999998 109.189 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -52.19 -43.42 64.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 2.4399999999999999 109.431 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.05 -53.53 56.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.25 -0.906 . . . . 1.74 109.764 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.22 -37.12 79.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.138 -0.976 . . . . 0.29999999999999999 108.817 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.17 -55.9 29.09 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.337 -0.852 . . . . 1.22 109.189 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.03 -31.51 72.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.349 -0.845 . . . . 1.72 109.717 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -54.81 42.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.27000000000000002 109.942 -179.515 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.99 -44.13 97.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.28999999999999998 109.429 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.08 -37.18 76.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 109.538 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -48.9 75.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.907 . . . . 0.40999999999999998 109.443 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -62.58 -45.41 93.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.329 -0.857 . . . . 1.5600000000000001 109.028 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.44 -28.8 60.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.385 -0.822 . . . . 1.4299999999999999 109.216 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.8 80.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.66000000000000003 110.116 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 1.1799999999999999 109.755 -179.681 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.442 -0.577 . . . . 1.6100000000000001 109.442 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.84 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.392 -0.817 . . . . 0.56999999999999995 109.651 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.85 -170.76 2.77 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.485 -0.76 . . . . 0.53000000000000003 109.18 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.81 149.19 28.73 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.589 -0.893 . . . . 0.38 108.589 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.38 132.11 24.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.237 -0.914 . . . . 0.35999999999999999 109.927 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.14 128.02 34.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.703 -0.851 . . . . 1.3600000000000001 108.703 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.97 117.41 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.494 -0.754 . . . . 0.48999999999999999 109.687 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.49 149.72 36.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.847 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.15 138.36 6.07 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.533 -1.027 . . . . 0.44 110.533 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 335' ' ' ARG . 7.7 ttm-85 -83.52 -51.44 7.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.483 -1.01 . . . . 2.7200000000000002 109.096 179.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.17 -38.94 77.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.325 -0.859 . . . . 2.21 109.236 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.0 -45.87 87.03 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.488 -0.93 . . . . 2.79 108.488 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.89 -50.52 70.43 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.581 -0.699 . . . . 0.45000000000000001 109.511 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.76 -38.2 60.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.6799999999999999 109.971 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -62.3 -49.92 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.966 . . . . 0.42999999999999999 110.088 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.15 -41.42 96.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.208 -0.932 . . . . 0.28000000000000003 109.238 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.17 -43.42 64.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 2.52 109.49 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.01 -53.54 56.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 1.75 109.83 -179.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.25 -37.05 79.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 0.31 108.782 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.21 -55.81 30.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.419 -0.801 . . . . 1.21 109.203 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.04 -31.72 73.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.755 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.85 -54.96 41.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 0.27000000000000002 109.974 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 0.29999999999999999 109.37 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.04 -37.15 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.9299999999999999 109.543 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.44 -48.95 75.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.816 . . . . 0.40000000000000002 109.488 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.32 93.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.349 -0.844 . . . . 1.5900000000000001 109.076 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.87 60.54 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.512 -0.743 . . . . 1.4299999999999999 109.211 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.803 . . . . 0.65000000000000002 110.046 -179.543 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.423 -0.584 . . . . 2.1099999999999999 109.423 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.93 149.51 23.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.45 -0.781 . . . . 0.64000000000000001 109.668 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -136.87 -170.82 2.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.443 -0.786 . . . . 0.48999999999999999 109.119 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.72 149.16 28.75 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.649 -0.871 . . . . 0.46999999999999997 108.649 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.3 tp -142.4 132.14 24.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.296 -0.877 . . . . 0.41999999999999998 109.896 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.19 128.13 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.707 -0.849 . . . . 1.8100000000000001 108.707 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -124.05 117.29 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.455 -0.778 . . . . 0.41999999999999998 109.727 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.46 149.61 36.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.574 -0.704 . . . . 2.3500000000000001 109.827 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.28 138.44 6.17 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.511 -1.036 . . . . 0.40999999999999998 110.511 178.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.469 HH11 ' HG3' ' C' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.47 7.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -1.015 . . . . 2.5899999999999999 109.082 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -38.8 77.56 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.348 -0.845 . . . . 2.54 109.238 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.08 -45.97 86.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.476 -0.935 . . . . 3.3900000000000001 108.476 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.89 -50.42 70.71 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.637 -0.665 . . . . 0.46999999999999997 109.529 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.78 -38.15 60.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 110.031 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.25 -50.05 73.28 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.11 -0.994 . . . . 0.60999999999999999 110.12 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.02 -41.48 96.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.176 -0.953 . . . . 0.33000000000000002 109.218 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.24 -43.36 64.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.107 -0.996 . . . . 3.2799999999999998 109.462 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.03 -53.55 56.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 1.78 109.796 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.21 -37.08 79.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.198 -0.939 . . . . 0.38 108.785 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.16 -55.86 29.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.381 -0.824 . . . . 1.2 109.18 179.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.15 -31.58 72.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 2.1200000000000001 109.702 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.94 -54.9 41.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.26000000000000001 109.985 -179.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.85 -44.3 97.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.40000000000000002 109.423 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.0 -37.23 76.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 2.0899999999999999 109.58 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.36 -48.98 75.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 0.75 109.483 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.28 93.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 2.1899999999999999 109.105 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.47 -28.82 60.69 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.506 -0.747 . . . . 1.3400000000000001 109.232 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.71999999999999997 110.129 -179.633 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.301 0.572 . . . . 1.6699999999999999 109.461 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -101.01 149.31 24.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.374 -0.829 . . . . 0.60999999999999999 109.701 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.6 -170.75 2.75 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.155 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.79 149.2 28.76 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 108.523 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.2 tp -142.37 132.24 24.29 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.348 -0.845 . . . . 0.34999999999999998 109.919 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -85.23 128.07 34.54 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.17 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -124.09 117.35 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.453 -0.78 . . . . 0.47999999999999998 109.678 -179.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.55 149.72 36.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.748 . . . . 2.0800000000000001 109.785 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.18 138.34 6.08 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.537 -1.025 . . . . 0.40000000000000002 110.537 179.059 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.48 HH11 ' HG3' ' D' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.39 7.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -1.024 . . . . 2.6400000000000001 109.125 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.23 -38.95 77.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.146 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.97 -45.95 86.81 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.48 -0.933 . . . . 2.7400000000000002 108.48 179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.84 -50.48 70.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.648 -0.658 . . . . 0.42999999999999999 109.537 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.81 -38.1 60.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.98 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -62.35 -49.96 73.51 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.225 -0.922 . . . . 0.42999999999999999 110.095 -179.339 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.96 -41.51 96.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.205 -0.934 . . . . 0.27000000000000002 109.27 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.27 -43.3 64.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 2.4500000000000002 109.438 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.09 -53.58 56.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 1.75 109.751 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.23 -37.0 79.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 0.31 108.868 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.2 -55.86 29.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.447 -0.783 . . . . 1.22 109.211 179.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.14 -31.47 72.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 1.73 109.697 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.02 -54.84 42.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.28000000000000003 109.982 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.97 -44.21 97.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.882 . . . . 0.31 109.427 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.08 -37.16 76.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.449 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.46 -48.87 75.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 109.42 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.61 -45.37 93.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.312 -0.868 . . . . 1.5700000000000001 109.066 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.77 60.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 1.4399999999999999 109.349 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.75 80.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.301 -0.875 . . . . 0.64000000000000001 110.108 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.108 -0.995 . . . . 1.21 109.7 -179.639 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.492 -0.558 . . . . 1.7 109.492 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.64 146.18 26.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.173 -0.954 . . . . 0.60999999999999999 109.888 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -141.65 137.02 31.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.32 -0.862 . . . . 0.57999999999999996 109.02 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.4 p -95.96 163.44 13.14 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.303 -0.873 . . . . 0.41999999999999998 109.06 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 39.2 tp -150.65 133.79 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.35999999999999999 110.011 -179.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.08 127.99 34.46 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.244 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.13 110.55 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.526 -0.734 . . . . 0.46999999999999997 109.72 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -74.68 151.72 39.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.574 -0.704 . . . . 2.1000000000000001 109.491 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.52 138.03 6.14 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.26 -1.136 . . . . 0.41999999999999998 110.26 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.24 -47.11 11.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.388 -1.066 . . . . 2.6800000000000002 109.378 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.59 -43.17 89.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 109.377 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.31 -41.27 96.73 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.344 -0.848 . . . . 2.77 109.567 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.71 -55.98 24.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.492 -0.755 . . . . 0.42999999999999999 109.686 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.98 -42.21 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 109.662 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 19.0 ttp -63.39 -52.11 63.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.326 -0.859 . . . . 0.44 110.278 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.31 -48.22 82.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.28999999999999998 109.077 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.54 -43.67 62.42 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.227 -0.921 . . . . 2.4399999999999999 109.485 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.99 -43.95 94.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.74 110.087 -179.639 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.31 -42.47 98.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.023 . . . . 0.29999999999999999 109.151 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.69 -54.21 49.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 1.22 109.567 179.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.496 ' HG2' ' HZ1' ' B' ' 351' ' ' LYS . 71.2 tt0 -63.6 -37.32 86.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 1.72 109.994 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.53 45.9 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 110.003 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.7 mt -61.56 -40.09 93.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.251 -0.906 . . . . 0.28999999999999998 109.394 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.11 -36.42 77.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.406 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.31 -47.75 80.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.40999999999999998 109.462 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.442 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 17.3 ttmm -62.28 -46.65 87.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 1.5600000000000001 108.719 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.55 -38.07 71.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.557 -0.714 . . . . 1.4299999999999999 109.164 179.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -25.12 65.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.66000000000000003 109.613 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 1.1799999999999999 109.478 179.884 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.451 -0.574 . . . . 1.6100000000000001 109.451 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -98.64 146.16 26.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.263 -0.898 . . . . 0.56999999999999995 109.938 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -141.65 136.75 31.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.311 -0.868 . . . . 0.53000000000000003 109.126 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.0 p -95.66 163.42 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -0.875 . . . . 0.38 109.19 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -150.55 133.76 16.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.118 -0.989 . . . . 0.35999999999999999 109.972 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.08 128.04 34.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.625 -0.88 . . . . 1.3600000000000001 108.625 179.164 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -124.1 110.54 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.583 -0.698 . . . . 0.48999999999999999 109.737 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.68 151.65 39.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.514 -0.741 . . . . 2.1000000000000001 109.512 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.64 138.01 6.2 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.311 -1.115 . . . . 0.44 110.311 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -83.38 -47.04 11.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.48 -1.012 . . . . 2.7200000000000002 109.356 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.49 -43.35 88.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.21 109.331 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -61.22 -41.42 96.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.302 -0.874 . . . . 2.79 109.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.52 -56.0 23.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.463 -0.773 . . . . 0.45000000000000001 109.789 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.95 -42.28 62.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.686 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.34 -52.11 63.14 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.258 -0.901 . . . . 0.42999999999999999 110.249 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.36 -48.18 82.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.28000000000000003 109.053 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.61 -43.57 62.57 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.265 -0.897 . . . . 2.52 109.5 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.09 -43.94 95.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 1.75 110.048 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.18 -42.59 98.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.31 109.077 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.64 -54.29 48.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 1.21 109.589 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.442 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 71.0 tt0 -63.45 -37.49 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 1.6899999999999999 109.98 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.53 45.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.199 -0.938 . . . . 0.27000000000000002 110.028 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.54 -40.06 93.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.29999999999999999 109.35 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.2 -36.38 77.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.884 . . . . 1.9299999999999999 109.443 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.35 -47.77 80.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.857 . . . . 0.40000000000000002 109.459 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.496 ' HZ1' ' HG2' ' A' ' 346' ' ' GLU . 17.3 ttmm -62.27 -46.51 88.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.5900000000000001 108.833 179.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.65 -38.03 71.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.769 . . . . 1.4299999999999999 109.136 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.65000000000000002 109.58 -179.883 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.38 -0.6 . . . . 2.1099999999999999 109.38 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.68 146.16 26.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.198 -0.939 . . . . 0.64000000000000001 109.929 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -141.65 136.89 31.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.309 -0.869 . . . . 0.48999999999999999 109.04 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -95.82 163.4 13.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.274 -0.891 . . . . 0.46999999999999997 109.168 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.55 133.85 16.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.989 . . . . 0.41999999999999998 109.95 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.18 127.96 34.48 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.08 110.61 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.539 -0.726 . . . . 0.41999999999999998 109.718 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.64 151.63 39.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.594 -0.691 . . . . 2.3500000000000001 109.503 179.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.55 137.86 6.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.295 -1.122 . . . . 0.40999999999999998 110.295 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.12 -47.09 12.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -1.107 . . . . 2.5899999999999999 109.47 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.57 -43.15 89.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.972 . . . . 2.54 109.366 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.32 -41.26 96.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.392 -0.818 . . . . 3.3900000000000001 109.551 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.69 -55.96 24.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.46999999999999997 109.705 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.92 -42.28 62.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.693 -179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.37 -52.14 62.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.281 -0.887 . . . . 0.60999999999999999 110.256 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.35 -48.1 83.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 0.33000000000000002 109.102 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.63 -43.64 62.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.28 -0.888 . . . . 3.2799999999999998 109.449 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.97 -44.02 94.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 1.78 110.013 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.24 -42.51 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.014 . . . . 0.38 109.063 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.68 -54.23 49.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.298 -0.876 . . . . 1.2 109.578 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.459 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 71.0 tt0 -63.54 -37.39 87.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 2.1200000000000001 110.05 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.52 46.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 0.26000000000000001 110.015 -179.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -40.05 93.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.188 -0.945 . . . . 0.40000000000000002 109.366 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.28 -36.35 77.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 2.0899999999999999 109.376 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.31 -47.77 80.88 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.848 . . . . 0.75 109.485 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.467 ' HZ1' ' HG2' ' D' ' 346' ' ' GLU . 17.4 ttmm -62.3 -46.49 88.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 2.1899999999999999 108.812 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.63 -38.04 71.55 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.526 -0.734 . . . . 1.3400000000000001 109.192 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 0.71999999999999997 109.655 -179.907 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.428 -0.582 . . . . 1.6699999999999999 109.428 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -98.62 146.22 26.05 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.098 -1.001 . . . . 0.60999999999999999 109.874 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -141.74 137.01 31.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.32 -0.862 . . . . 0.56000000000000005 108.994 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -95.89 163.48 13.13 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.256 -0.903 . . . . 0.42999999999999999 109.098 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.65 133.77 16.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 0.34999999999999998 109.918 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.04 128.06 34.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 1.3700000000000001 108.619 179.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -124.13 110.53 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.573 -0.705 . . . . 0.47999999999999998 109.735 -179.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.65 151.63 39.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.553 -0.717 . . . . 2.0800000000000001 109.54 179.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.59 138.05 6.19 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.285 -1.126 . . . . 0.40000000000000002 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.31 -47.04 11.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 2.6400000000000001 109.409 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.58 -43.32 89.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 2.2200000000000002 109.32 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.2 -41.28 96.56 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.367 -0.833 . . . . 2.7400000000000002 109.559 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.61 -56.09 22.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.457 -0.777 . . . . 0.42999999999999999 109.721 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.79 -42.39 62.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 109.66 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 19.0 ttp -63.33 -52.05 63.45 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.317 -0.864 . . . . 0.42999999999999999 110.308 -179.382 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.43 -48.07 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.091 -1.005 . . . . 0.27000000000000002 109.07 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.62 -43.64 62.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 2.4500000000000002 109.481 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.02 -43.99 94.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 1.75 110.019 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.21 -42.58 98.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.31 109.095 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -58.55 -54.38 47.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.338 -0.851 . . . . 1.22 109.59 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.467 ' HG2' ' HZ1' ' C' ' 351' ' ' LYS . 71.1 tt0 -63.44 -37.34 86.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.317 -0.864 . . . . 1.73 110.085 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.64 44.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.955 . . . . 0.28000000000000003 110.041 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.45 -40.19 93.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -0.945 . . . . 0.31 109.369 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.18 -36.39 77.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.176 -0.952 . . . . 1.9099999999999999 109.324 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.27 -47.76 81.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 109.425 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.459 ' HZ1' ' HG2' ' C' ' 346' ' ' GLU . 17.4 ttmm -62.35 -46.61 87.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 1.5700000000000001 108.707 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.59 -37.97 71.37 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.484 -0.76 . . . . 1.4399999999999999 109.196 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.2 65.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 0.64000000000000001 109.532 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.166 -0.959 . . . . 1.21 109.408 -180.0 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.14 0.495 . . . . 1.7 109.88 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 26.0 m-85 -99.0 158.9 15.34 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.4 -0.812 . . . . 0.60999999999999999 109.906 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.55 140.66 35.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.342 -0.849 . . . . 0.57999999999999996 108.984 179.517 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 51.3 p -92.52 164.0 13.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.41999999999999998 109.395 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.08 131.76 14.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.148 -0.97 . . . . 0.35999999999999999 110.14 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.26 128.38 34.66 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.834 -0.802 . . . . 1.3700000000000001 108.834 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 67.2 mt -124.1 119.76 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.513 -0.742 . . . . 0.46999999999999997 109.955 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.3 152.68 36.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.943 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.89 138.87 1.93 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.607 -0.997 . . . . 0.41999999999999998 110.607 178.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.05 -44.09 14.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -1.04 . . . . 2.6800000000000002 109.374 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.58 -43.14 93.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.05 . . . . 2.2200000000000002 109.052 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 21.5 ttm180 -62.3 -41.45 98.53 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.261 -0.899 . . . . 2.77 109.243 179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.07 -57.16 12.84 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.483 -0.761 . . . . 0.42999999999999999 109.594 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.21 -35.77 50.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 1.6599999999999999 109.721 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.24 -53.82 47.07 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.931 . . . . 0.44 109.926 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.2 -41.97 97.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.18 -0.95 . . . . 0.28999999999999998 108.834 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -51.57 -43.79 62.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.341 -0.85 . . . . 2.4399999999999999 109.141 179.447 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.92 -45.2 95.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 1.74 109.793 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.66 -44.23 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.29999999999999999 109.246 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.82 -49.89 75.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.183 -0.948 . . . . 1.22 109.301 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.71 -37.87 88.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.851 . . . . 1.72 109.587 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -53.11 61.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.27000000000000002 109.841 -179.801 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.46 -44.62 96.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.152 -0.968 . . . . 0.28999999999999998 109.372 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.41 -35.13 73.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.544 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.58 -50.65 66.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.40999999999999998 109.457 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.67 -46.74 86.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 1.5600000000000001 108.875 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 1.2 m-20 -58.55 -43.31 89.27 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.436 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.62 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.66000000000000003 109.773 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.47 HE22 HD11 ' B' ' 350' ' ' LEU . 12.3 tt0 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.146 -0.972 . . . . 1.1799999999999999 109.638 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.13 0.491 . . . . 1.6100000000000001 109.911 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 26.1 m-85 -99.16 158.91 15.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.405 -0.81 . . . . 0.56999999999999995 109.875 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -140.54 140.6 35.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.413 -0.805 . . . . 0.53000000000000003 108.984 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 50.1 p -92.51 164.03 13.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.358 -0.839 . . . . 0.38 109.345 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.09 131.62 14.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.35999999999999999 110.169 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.16 128.5 34.69 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.792 -0.818 . . . . 1.3600000000000001 108.792 179.328 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.22 119.62 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 O-C-N 121.44 -0.788 . . . . 0.48999999999999999 109.985 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 152.72 36.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.499 -0.751 . . . . 2.1000000000000001 110.001 179.688 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.71 138.9 1.87 Allowed Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.203 -0.998 . . . . 0.44 110.702 178.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -84.08 -44.0 14.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.324 -1.103 . . . . 2.7200000000000002 109.321 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.72 -43.06 94.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.952 -1.093 . . . . 2.21 109.072 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.48 98.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 2.79 109.248 179.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -55.0 -57.19 12.68 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.596 -0.69 . . . . 0.45000000000000001 109.632 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.22 -35.86 50.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.6799999999999999 109.639 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.09 -53.78 48.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.233 -0.917 . . . . 0.42999999999999999 109.973 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.33 -41.88 97.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.11 -0.994 . . . . 0.28000000000000003 108.814 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.581 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.6 OUTLIER -51.6 -43.78 62.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.104 179.489 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.02 -45.12 96.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.346 -0.846 . . . . 1.75 109.738 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.67 -44.24 97.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.31 109.281 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -57.82 -49.93 75.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 1.21 109.23 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.75 -37.91 88.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.249 -0.907 . . . . 1.6899999999999999 109.552 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -52.98 63.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.27000000000000002 109.88 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.62 -44.45 96.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.29999999999999999 109.346 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.5 -35.12 73.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.489 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.47 HD11 HE22 ' A' ' 354' ' ' GLN . 31.9 tp -64.68 -50.64 66.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.248 -0.907 . . . . 0.40000000000000002 109.436 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.58 -46.71 87.06 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.344 -0.847 . . . . 1.5900000000000001 108.957 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 1.2 m-20 -58.6 -43.34 89.51 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.411 179.687 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 0.65000000000000002 109.809 -179.75 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.136 0.493 . . . . 2.1099999999999999 109.928 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 25.7 m-85 -99.05 158.94 15.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.379 -0.826 . . . . 0.64000000000000001 109.881 179.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.61 35.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.48999999999999999 108.981 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 51.0 p -92.55 163.9 13.64 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.299 -0.876 . . . . 0.46999999999999997 109.298 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.02 131.77 15.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.211 -0.931 . . . . 0.41999999999999998 110.154 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.27 128.46 34.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.399 -0.813 . . . . 1.8100000000000001 108.833 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.2 119.67 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.488 -0.757 . . . . 0.41999999999999998 109.95 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.17 152.74 36.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.459 -0.776 . . . . 2.3500000000000001 109.937 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.75 138.76 1.86 Allowed Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.198 -1.001 . . . . 0.40999999999999998 110.684 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -83.92 -44.04 14.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -1.063 . . . . 2.5899999999999999 109.43 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.57 -43.13 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.944 -1.098 . . . . 2.54 109.087 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.41 98.49 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.36 -0.838 . . . . 3.3900000000000001 109.235 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.18 -57.13 13.02 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.573 -0.705 . . . . 0.46999999999999997 109.554 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.28 -35.7 50.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.648 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.25 -53.78 47.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.214 -0.929 . . . . 0.60999999999999999 109.933 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.3 -41.92 97.78 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.187 -0.945 . . . . 0.33000000000000002 108.809 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -51.58 -43.73 62.55 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.402 -0.811 . . . . 3.2799999999999998 109.213 179.412 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.05 -45.24 95.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 1.78 109.625 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.6 -44.17 97.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.38 109.293 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.83 75.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.183 -0.948 . . . . 1.2 109.267 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.75 -38.04 88.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 2.1200000000000001 109.507 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.19 -53.09 62.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.26000000000000001 109.773 -179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.59 -44.36 97.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.412 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.61 -34.98 73.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.909 . . . . 2.0899999999999999 109.543 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.408 HD11 HE22 ' D' ' 354' ' ' GLN . 31.9 tp -64.68 -50.7 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.75 109.445 -179.813 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.54 -46.77 86.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.346 -0.846 . . . . 2.1899999999999999 108.971 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 1.2 m-20 -58.53 -43.28 89.17 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.585 -0.697 . . . . 1.3400000000000001 109.479 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 0.71999999999999997 109.774 -179.72 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.165 0.507 . . . . 1.6699999999999999 109.898 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.6 m-85 -99.0 158.91 15.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 109.963 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.6 35.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.417 -0.802 . . . . 0.56000000000000005 108.948 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 50.5 p -92.45 163.93 13.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.266 -0.896 . . . . 0.42999999999999999 109.382 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.01 131.76 15.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.34999999999999998 110.148 -179.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.33 128.41 34.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 108.75 179.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.17 119.72 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.535 -0.728 . . . . 0.47999999999999998 109.94 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 152.76 36.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.792 . . . . 2.0800000000000001 109.915 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.74 138.82 1.86 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 120.207 -0.997 . . . . 0.40000000000000002 110.685 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.12 -43.93 14.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.395 -1.062 . . . . 2.6400000000000001 109.323 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -43.13 93.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.031 -1.043 . . . . 2.2200000000000002 109.084 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 21.5 ttm180 -62.32 -41.44 98.54 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.298 -0.876 . . . . 2.7400000000000002 109.258 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.01 -57.18 12.76 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.481 -0.762 . . . . 0.42999999999999999 109.628 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.2 -35.81 50.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.261 -0.899 . . . . 1.6899999999999999 109.708 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.21 -53.82 47.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.259 -0.901 . . . . 0.42999999999999999 109.927 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 108.849 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.6 OUTLIER -51.54 -43.82 62.47 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.335 -0.853 . . . . 2.4500000000000002 109.173 179.36 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.0 -45.23 95.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.378 -0.826 . . . . 1.75 109.713 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.55 -44.21 97.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.31 109.319 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.86 75.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.155 -0.966 . . . . 1.22 109.221 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -37.99 88.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 1.73 109.498 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.33 -53.1 62.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.28000000000000003 109.783 -179.681 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.48 -44.46 97.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 0.31 109.397 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.58 -35.1 73.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.933 . . . . 1.9099999999999999 109.492 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.58 -50.8 65.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.42999999999999999 109.413 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.339 -0.851 . . . . 1.5700000000000001 108.943 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.406 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 1.2 m-20 -58.56 -43.26 89.31 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.562 -0.711 . . . . 1.4399999999999999 109.463 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.67 64.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.64000000000000001 109.684 -179.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.408 HE22 HD11 ' C' ' 350' ' ' LEU . 12.3 tt0 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 1.21 109.541 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.2 -0.667 . . . . 1.7 109.2 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 26.4 m-85 -96.46 149.12 22.09 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.236 -0.915 . . . . 0.60999999999999999 110.328 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.54 137.87 35.8 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.544 -0.91 . . . . 0.57999999999999996 108.544 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.8 p -95.27 163.89 13.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.275 -0.89 . . . . 0.41999999999999998 108.991 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.13 131.8 15.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.043 -1.036 . . . . 0.35999999999999999 110.193 -179.106 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.65 125.39 32.44 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.354 -0.98 . . . . 1.3700000000000001 108.354 179.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.562 -0.711 . . . . 0.46999999999999997 109.726 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.5 ttt-85 -75.64 155.75 35.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.491 -0.755 . . . . 2.1000000000000001 109.801 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.98 134.88 3.16 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.033 -1.227 . . . . 0.41999999999999998 110.033 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.87 -50.1 9.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -1.127 . . . . 2.6800000000000002 109.461 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.87 -40.85 81.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 2.2200000000000002 109.165 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.443 HH22 ' CG ' ' C' ' 352' ' ' ASP . 26.2 ttm180 -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 2.77 109.33 179.802 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.63 -56.46 18.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.554 -0.716 . . . . 0.42999999999999999 109.585 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.31 -37.6 48.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 1.6599999999999999 109.867 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -63.51 -53.11 57.11 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.231 -0.918 . . . . 0.44 110.445 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.45 -42.95 99.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.039 -1.038 . . . . 0.28999999999999998 109.174 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.86 -42.5 62.67 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -0.934 . . . . 2.4399999999999999 109.298 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.09 -46.4 90.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.267 -0.896 . . . . 1.74 109.766 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.28 -44.07 97.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.29999999999999999 109.355 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -57.38 -49.76 75.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.22 109.425 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.64 -37.35 86.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.895 . . . . 1.72 109.449 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.84 -52.53 65.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.798 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 48.9 mt -61.26 -43.38 98.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.217 -0.927 . . . . 0.28999999999999998 109.504 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.38 -35.98 74.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.406 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.61 -50.92 65.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.411 -0.806 . . . . 0.40999999999999998 109.171 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.45 -43.28 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 1.5600000000000001 109.07 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . 0.516 ' CG ' HH22 ' C' ' 337' ' ' ARG . 1.3 m-20 -56.56 -33.45 66.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.571 -0.706 . . . . 1.4299999999999999 109.449 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -37.77 82.5 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.66000000000000003 109.736 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 1.1799999999999999 109.593 -179.843 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.222 -0.658 . . . . 1.6100000000000001 109.222 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 25.9 m-85 -96.41 149.02 22.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.134 -0.979 . . . . 0.56999999999999995 110.417 -179.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.47 137.73 35.81 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.602 -0.888 . . . . 0.53000000000000003 108.602 179.156 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.19 163.93 13.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.279 -0.888 . . . . 0.38 108.964 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.15 131.72 15.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.35999999999999999 110.256 -179.091 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.47 32.52 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.304 -0.999 . . . . 1.3600000000000001 108.304 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.92 112.02 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.542 -0.724 . . . . 0.48999999999999999 109.697 -179.161 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.75 155.79 35.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.484 -0.76 . . . . 2.1000000000000001 109.709 179.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.92 134.87 3.14 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.07 -1.212 . . . . 0.44 110.07 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.93 -50.08 9.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -1.09 . . . . 2.7200000000000002 109.364 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.84 -40.87 81.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 2.21 109.148 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.475 HH22 ' CG ' ' D' ' 352' ' ' ASP . 26.1 ttm180 -62.03 -43.97 97.7 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 2.79 109.349 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.62 -56.38 19.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.568 -0.708 . . . . 0.45000000000000001 109.625 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.43 -37.53 49.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.877 . . . . 1.6799999999999999 109.845 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.64 -53.04 57.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.331 -0.856 . . . . 0.42999999999999999 110.414 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.49 -42.81 99.36 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.09 -1.006 . . . . 0.28000000000000003 109.227 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.88 -42.46 62.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.263 -0.898 . . . . 2.52 109.348 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.09 -46.46 90.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 1.75 109.693 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.23 -44.14 97.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 0.31 109.351 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -57.42 -49.79 75.09 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 1.21 109.269 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.62 -37.39 86.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.6899999999999999 109.434 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.73 -52.58 65.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.484 -0.76 . . . . 0.27000000000000002 109.86 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' B' ' 352' ' ' ASP . 49.0 mt -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.29999999999999999 109.421 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.54 -35.93 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 1.9299999999999999 109.333 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.64 -50.81 65.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.40000000000000002 109.209 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.58 -43.19 99.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.88 . . . . 1.5900000000000001 109.125 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.476 ' CG ' HH22 ' D' ' 337' ' ' ARG . 1.3 m-20 -56.57 -33.53 66.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.376 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.65000000000000002 109.729 -179.871 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.202 -0.666 . . . . 2.1099999999999999 109.202 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.6 m-85 -96.32 149.01 22.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.189 -0.944 . . . . 0.64000000000000001 110.439 -179.446 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.51 137.65 35.67 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.579 -0.897 . . . . 0.48999999999999999 108.579 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.2 p -95.09 163.84 13.13 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.248 -0.908 . . . . 0.46999999999999997 109.048 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.05 131.8 15.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.987 . . . . 0.41999999999999998 110.175 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.64 125.26 32.32 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 179.078 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.95 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.505 -0.747 . . . . 0.41999999999999998 109.718 -179.142 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.5 ttt-85 -75.52 155.9 35.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 2.3500000000000001 109.728 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.77 134.94 3.09 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.062 -1.215 . . . . 0.40999999999999998 110.062 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.98 -50.03 9.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 2.5899999999999999 109.486 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.93 -40.74 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 2.54 109.141 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.516 HH22 ' CG ' ' A' ' 352' ' ' ASP . 26.2 ttm180 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.318 -0.864 . . . . 3.3900000000000001 109.365 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.543 -0.723 . . . . 0.46999999999999997 109.604 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.28 -37.66 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.6599999999999999 109.846 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.58 -53.04 57.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.273 -0.892 . . . . 0.60999999999999999 110.428 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.49 -42.91 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.119 -0.988 . . . . 0.33000000000000002 109.168 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -51.85 -42.4 62.57 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.193 -0.942 . . . . 3.2799999999999998 109.374 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.13 -46.4 90.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.887 . . . . 1.78 109.73 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.24 -44.17 97.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.38 109.302 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.42 -49.68 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.26 -0.9 . . . . 1.2 109.365 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.67 -37.38 86.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.1200000000000001 109.446 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.85 -52.51 65.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.26000000000000001 109.833 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 48.5 mt -61.26 -43.23 99.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.966 . . . . 0.40000000000000002 109.475 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.59 -35.96 75.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 2.0899999999999999 109.347 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.66 -50.84 65.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.75 109.152 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.41 -43.24 99.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 2.1899999999999999 109.172 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.443 ' CG ' HH22 ' A' ' 337' ' ' ARG . 1.3 m-20 -56.69 -33.36 66.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.58 -0.7 . . . . 1.3400000000000001 109.412 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.71999999999999997 109.743 -179.923 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.238 -0.652 . . . . 1.6699999999999999 109.238 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.9 m-85 -96.36 149.02 22.16 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.151 -0.968 . . . . 0.60999999999999999 110.345 -179.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.49 137.72 35.76 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.666 -0.864 . . . . 0.56000000000000005 108.666 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.17 163.84 13.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.239 -0.913 . . . . 0.42999999999999999 109.012 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.04 131.82 16.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.34999999999999998 110.163 -179.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.4 32.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.408 -0.96 . . . . 1.3700000000000001 108.408 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.95 111.97 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.543 -0.723 . . . . 0.47999999999999998 109.74 -179.151 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.5 ttt-85 -75.55 155.84 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.426 -0.796 . . . . 2.0800000000000001 109.7 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.9 134.84 3.12 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.069 -1.212 . . . . 0.40000000000000002 110.069 179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.83 -50.16 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -1.07 . . . . 2.6400000000000001 109.438 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.83 -40.89 81.11 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.971 . . . . 2.2200000000000002 109.135 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.476 HH22 ' CG ' ' B' ' 352' ' ' ASP . 26.2 ttm180 -62.13 -43.85 97.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 2.7400000000000002 109.346 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.71 -56.32 20.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.523 -0.736 . . . . 0.42999999999999999 109.64 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.34 -37.63 48.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.389 -0.819 . . . . 1.6899999999999999 109.851 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.55 -53.1 57.1 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 110.442 -179.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.047 -1.033 . . . . 0.27000000000000002 109.179 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.9 -42.41 62.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.4500000000000002 109.353 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.07 -46.46 90.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.75 109.757 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.33 -44.01 97.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.216 -0.928 . . . . 0.31 109.36 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.34 -49.82 74.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.262 -0.899 . . . . 1.22 109.362 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.72 -37.28 85.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.333 -0.854 . . . . 1.73 109.416 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.77 -52.59 65.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.28000000000000003 109.893 -179.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' D' ' 352' ' ' ASP . 49.6 mt -61.3 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.31 109.39 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.4 -35.94 74.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.361 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.69 -50.86 65.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.827 . . . . 0.42999999999999999 109.156 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.5 -43.18 99.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 1.5700000000000001 109.061 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.475 ' CG ' HH22 ' B' ' 337' ' ' ARG . 1.3 m-20 -56.61 -33.37 66.19 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.426 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.78 82.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.914 . . . . 0.64000000000000001 109.669 -179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 1.21 109.692 -179.889 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.468 -0.567 . . . . 1.7 109.468 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.16 159.46 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -0.91 . . . . 0.60999999999999999 109.778 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.46 -170.75 3.06 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 109.387 -179.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.1 118.85 5.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.317 -0.864 . . . . 0.41999999999999998 109.007 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.34 137.99 42.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.541 -0.725 . . . . 0.35999999999999999 109.709 -179.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.77 130.46 34.84 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.59 114.03 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.346 -0.846 . . . . 0.46999999999999997 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.5 134.35 40.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.566 -0.708 . . . . 2.1000000000000001 109.393 179.466 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.06 144.17 12.57 Favored Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.881 -1.288 . . . . 0.41999999999999998 109.881 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -84.97 -55.68 3.94 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.421 -1.046 . . . . 2.6800000000000002 109.72 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.19 -37.02 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.306 -0.871 . . . . 2.2200000000000002 109.482 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.64 -45.04 95.74 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.349 -0.844 . . . . 2.77 109.161 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.47 -57.81 10.34 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.53 -0.731 . . . . 0.42999999999999999 109.763 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.61 -37.19 48.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.671 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -53.15 56.1 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 0.44 110.128 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -45.07 95.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.228 -0.92 . . . . 0.28999999999999998 108.969 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.47 -43.22 55.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.167 -0.958 . . . . 2.4399999999999999 109.293 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.89 -45.43 92.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 1.74 109.843 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.56 -45.27 94.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.29999999999999999 109.178 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.16 -49.79 75.77 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.319 -0.863 . . . . 1.22 109.464 179.825 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.76 -36.22 82.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 1.72 109.673 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -54.01 51.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 0.27000000000000002 109.899 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.79 -43.92 97.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.28999999999999998 109.427 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.49 72.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.406 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.3 -48.64 74.86 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 0.40999999999999998 109.422 -179.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.9 -47.23 84.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.374 -0.829 . . . . 1.5600000000000001 108.863 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.53 -41.69 81.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.352 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.51 64.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.66000000000000003 109.731 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.52 HE22 HD11 ' B' ' 350' ' ' LEU . 10.7 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 1.1799999999999999 109.687 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.462 -0.57 . . . . 1.6100000000000001 109.462 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -93.12 159.49 15.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.56999999999999995 109.695 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.48 -170.7 3.05 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.316 -0.865 . . . . 0.53000000000000003 109.381 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.08 118.91 5.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.38 109.037 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.6 tp -105.39 137.95 42.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.45 -0.781 . . . . 0.35999999999999999 109.723 -179.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.81 130.43 34.87 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.682 -0.858 . . . . 1.3600000000000001 108.682 178.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.6 113.96 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.405 -0.809 . . . . 0.48999999999999999 109.707 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.59 134.34 40.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.606 -0.684 . . . . 2.1000000000000001 109.332 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.2 12.52 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.03 -55.69 3.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -1.076 . . . . 2.7200000000000002 109.747 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.23 -37.01 71.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.321 -0.862 . . . . 2.21 109.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.54 -45.07 95.73 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.349 -0.845 . . . . 2.79 109.14 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.55 -57.76 10.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.564 -0.71 . . . . 0.45000000000000001 109.724 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.58 -37.33 49.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 1.6799999999999999 109.679 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.53 -53.12 56.78 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.42999999999999999 110.146 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.32 -45.06 96.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.173 -0.954 . . . . 0.28000000000000003 108.963 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.51 -43.16 55.65 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 2.52 109.353 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.84 -45.48 92.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.75 109.856 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.66 -45.21 95.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.187 -0.946 . . . . 0.31 109.188 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.09 -49.84 75.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 1.21 109.445 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.618 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.74 -53.96 52.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 0.27000000000000002 109.844 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.73 -44.07 97.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 0.29999999999999999 109.433 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.25 -34.44 72.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.52 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.52 HD11 HE22 ' A' ' 354' ' ' GLN . 35.3 tp -64.31 -48.67 74.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.40000000000000002 109.391 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.83 -47.32 83.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.921 . . . . 1.5900000000000001 108.804 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.46 -41.77 81.21 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.553 -0.717 . . . . 1.4299999999999999 109.357 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 0.65000000000000002 109.751 -179.736 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.47 -0.567 . . . . 2.1099999999999999 109.47 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -93.15 159.42 15.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.306 -0.872 . . . . 0.64000000000000001 109.775 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.42 -170.74 3.06 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.449 -0.782 . . . . 0.48999999999999999 109.329 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -153.12 118.84 5.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.258 -0.901 . . . . 0.46999999999999997 108.983 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.8 tp -105.3 137.87 42.41 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.498 -0.751 . . . . 0.41999999999999998 109.794 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.72 130.43 34.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.602 -0.888 . . . . 1.8100000000000001 108.602 178.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.0 mt -123.63 113.97 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.341 -0.849 . . . . 0.41999999999999998 109.739 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.19 40.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.557 -0.715 . . . . 2.3500000000000001 109.45 179.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.23 12.54 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.911 -1.276 . . . . 0.40999999999999998 109.911 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.0 -55.77 3.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.265 -1.138 . . . . 2.5899999999999999 109.646 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.18 -36.99 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 2.54 109.48 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.66 -45.01 95.86 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.306 -0.871 . . . . 3.3900000000000001 109.19 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.51 -57.81 10.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.535 -0.728 . . . . 0.46999999999999997 109.735 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.62 -37.24 49.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.73 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.48 -53.22 55.44 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.167 -0.958 . . . . 0.60999999999999999 110.154 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.2 -45.2 95.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.33000000000000002 108.925 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.5 -43.2 55.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.302 -0.873 . . . . 3.2799999999999998 109.274 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.82 -45.57 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.78 109.819 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.49 -45.23 95.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -0.91 . . . . 0.38 109.239 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.17 -49.75 75.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.231 -0.918 . . . . 1.2 109.478 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.75 -36.36 82.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1200000000000001 109.617 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.39 -54.19 49.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.26000000000000001 109.939 -179.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.7 -43.85 98.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.40000000000000002 109.544 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.35 -34.49 72.44 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.466 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.455 HD11 HE22 ' D' ' 354' ' ' GLN . 35.0 tp -64.24 -48.68 74.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.179 -0.95 . . . . 0.75 109.437 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.89 -47.22 84.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.346 -0.846 . . . . 2.1899999999999999 108.821 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -57.56 -41.71 81.57 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.563 -0.71 . . . . 1.3400000000000001 109.353 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.383 -0.823 . . . . 0.71999999999999997 109.725 -179.746 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.455 -0.572 . . . . 1.6699999999999999 109.455 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.17 159.52 15.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.292 -0.88 . . . . 0.60999999999999999 109.684 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.54 -170.76 3.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.832 . . . . 0.56000000000000005 109.332 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.11 118.73 5.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.197 -0.939 . . . . 0.42999999999999999 109.106 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.26 137.89 42.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.553 -0.717 . . . . 0.34999999999999998 109.764 -179.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.82 130.56 34.83 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.546 -0.909 . . . . 1.3700000000000001 108.546 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.74 113.92 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.407 -0.808 . . . . 0.47999999999999998 109.664 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.38 40.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.589 -0.695 . . . . 2.0800000000000001 109.406 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.1 144.24 12.6 Favored Glycine 0 N--CA 1.5 2.905 0 N-CA-C 109.86 -1.296 . . . . 0.40000000000000002 109.86 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.08 -55.68 3.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.391 -1.064 . . . . 2.6400000000000001 109.659 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.828 . . . . 2.2200000000000002 109.434 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.7 -45.03 95.75 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.297 -0.877 . . . . 2.7400000000000002 109.171 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.56 -57.81 10.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.601 -0.687 . . . . 0.42999999999999999 109.634 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.55 -37.32 48.97 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 109.675 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.52 -53.2 55.65 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.234 -0.916 . . . . 0.42999999999999999 110.133 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.24 -45.13 95.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.95 . . . . 0.27000000000000002 108.94 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.53 -43.18 55.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.222 -0.924 . . . . 2.4500000000000002 109.31 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.9 -45.49 92.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.75 109.796 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.53 -45.31 94.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.31 109.233 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.1 -49.81 75.67 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.335 -0.853 . . . . 1.22 109.458 179.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.76 -36.19 82.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.262 -0.899 . . . . 1.73 109.63 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.59 -54.02 51.72 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -0.894 . . . . 0.28000000000000003 109.88 -179.633 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.31 109.472 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.53 72.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.438 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.2 -48.74 74.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 0.42999999999999999 109.46 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.88 -47.26 84.08 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.352 -0.843 . . . . 1.5700000000000001 108.767 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.5 -41.69 81.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.576 -0.702 . . . . 1.4399999999999999 109.378 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.808 . . . . 0.64000000000000001 109.737 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.455 HE22 HD11 ' C' ' 350' ' ' LEU . 10.6 tt0 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.088 -1.008 . . . . 1.21 109.682 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.29 0.567 . . . . 1.7 110.41 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.22 161.66 13.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.568 -0.708 . . . . 0.60999999999999999 109.464 179.166 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.38 -170.39 2.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.384 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.9 p -153.96 125.03 7.32 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.41999999999999998 109.089 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.7 tp -116.8 139.61 50.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.507 -0.746 . . . . 0.35999999999999999 109.947 -178.657 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 17.8 tt0 -87.66 129.68 35.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.656 -0.653 . . . . 1.3700000000000001 109.278 179.147 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -124.1 118.08 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.546 -0.721 . . . . 0.46999999999999997 109.082 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.609 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.53 152.67 39.31 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 2.1000000000000001 109.577 -179.891 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 86.06 137.61 4.6 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.537 -1.025 . . . . 0.41999999999999998 110.537 178.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.72 -51.76 11.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.511 -0.993 . . . . 2.6800000000000002 109.278 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.0 -38.6 76.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 2.2200000000000002 109.175 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.81 -44.94 90.94 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.357 -0.839 . . . . 2.77 109.723 179.884 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.41 -57.42 11.92 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.526 -0.734 . . . . 0.42999999999999999 109.729 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -51.45 -39.95 58.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 1.6599999999999999 110.145 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -63.21 -51.1 67.66 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.071 -1.018 . . . . 0.44 110.249 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.01 -44.6 96.37 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.103 -0.998 . . . . 0.28999999999999998 109.063 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -50.86 -42.74 59.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 2.4399999999999999 109.175 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -59.67 -45.79 90.99 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.224 -0.922 . . . . 1.74 109.569 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.58 -48.42 81.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.209 179.781 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 45.8 t-20 -58.2 -48.64 79.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.387 -0.82 . . . . 1.22 109.654 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -61.56 -38.19 86.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 1.72 109.463 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.78 -52.49 65.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 0.27000000000000002 109.723 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.86 -41.55 97.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.28999999999999998 109.356 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.28 -38.02 76.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.196 179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.69 -49.19 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.837 . . . . 0.40999999999999998 109.242 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.03 -40.16 94.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.853 . . . . 1.5600000000000001 108.982 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.32 -34.53 66.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.5 -0.75 . . . . 1.4299999999999999 109.526 179.689 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.64 75.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 0.66000000000000003 109.602 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.458 HE22 HD11 ' B' ' 350' ' ' LEU . 59.9 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 1.1799999999999999 109.524 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.378 0.608 . . . . 1.6100000000000001 110.292 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -100.13 161.82 13.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.53 -0.731 . . . . 0.56999999999999995 109.343 179.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.5 -170.4 2.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.397 -0.815 . . . . 0.53000000000000003 109.371 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.8 p -153.95 125.19 7.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.398 -0.814 . . . . 0.38 109.037 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.82 139.54 50.48 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.556 0.693 . . . . 0.35999999999999999 109.847 -178.613 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.506 ' O ' ' ND2' ' D' ' 345' ' ' ASN . 17.7 tt0 -87.68 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.571 -0.705 . . . . 1.3600000000000001 109.27 179.059 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -124.16 118.24 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.503 -0.748 . . . . 0.48999999999999999 109.104 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.65 152.74 39.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.211 -0.93 . . . . 2.1000000000000001 109.572 -179.89 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.495 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 85.75 137.54 4.4 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.509 -1.037 . . . . 0.44 110.509 178.626 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -75.39 -51.98 11.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.621 -0.929 . . . . 2.7200000000000002 109.308 179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.03 -38.34 76.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 2.21 109.188 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.69 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.92 -45.05 91.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.217 -0.927 . . . . 2.79 109.712 179.8 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.28 -57.47 11.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.518 -0.739 . . . . 0.45000000000000001 109.72 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.41 -40.01 58.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 110.152 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.23 -51.06 67.79 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.116 -0.99 . . . . 0.42999999999999999 110.206 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.01 -44.65 96.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.188 -0.945 . . . . 0.28000000000000003 109.051 -179.691 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -50.68 -42.79 57.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.251 -0.905 . . . . 2.52 109.194 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -59.76 -45.79 91.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.341 -0.849 . . . . 1.75 109.499 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.59 -48.41 81.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.31 109.27 179.761 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 45.6 t-20 -58.11 -48.72 79.34 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 1.21 109.625 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.6 -38.1 86.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.6899999999999999 109.504 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.77 -52.52 65.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.329 -0.857 . . . . 0.27000000000000002 109.756 -179.703 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.84 -41.53 97.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.964 . . . . 0.29999999999999999 109.423 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -58.29 -38.04 76.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.9299999999999999 109.198 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.458 HD11 HE22 ' A' ' 354' ' ' GLN . 54.9 tp -63.77 -49.03 74.56 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.239 -0.913 . . . . 0.40000000000000002 109.279 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.05 -40.16 94.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 1.5900000000000001 108.965 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -56.41 -34.47 66.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.5 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 0.65000000000000002 109.653 -179.724 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.397 0.618 . . . . 2.1099999999999999 110.34 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.22 161.64 13.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.486 -0.759 . . . . 0.64000000000000001 109.424 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.27 -170.37 2.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.322 -0.862 . . . . 0.48999999999999999 109.405 -179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.0 p -154.01 124.95 7.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.308 -0.87 . . . . 0.46999999999999997 109.096 -179.673 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.72 139.66 50.3 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.665 -0.647 . . . . 0.41999999999999998 109.963 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.483 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 17.8 tt0 -87.69 129.67 35.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.634 -0.666 . . . . 1.8100000000000001 109.273 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -124.05 118.2 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.469 -0.769 . . . . 0.41999999999999998 109.103 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.58 152.7 39.25 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.231 -0.918 . . . . 2.3500000000000001 109.565 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.502 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 86.05 137.8 4.66 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.494 -1.042 . . . . 0.40999999999999998 110.494 178.6 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.78 -51.92 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.479 -1.012 . . . . 2.5899999999999999 109.278 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.63 76.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.908 . . . . 2.54 109.172 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.77 -45.1 90.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.251 -0.906 . . . . 3.3900000000000001 109.624 179.901 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -57.49 11.6 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.518 -0.739 . . . . 0.46999999999999997 109.725 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.4 -40.05 58.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 110.093 -179.571 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.062 -1.024 . . . . 0.60999999999999999 110.211 -179.058 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.237 -0.914 . . . . 0.33000000000000002 109.067 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.7 -42.82 57.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 3.2799999999999998 109.236 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.192 -0.942 . . . . 1.78 109.553 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.64 -48.4 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.38 109.209 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 45.5 t-20 -58.14 -48.67 79.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 1.2 109.636 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.56 -38.07 86.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.461 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.73 -52.62 64.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.26000000000000001 109.82 -179.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.76 -41.54 97.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 0.40000000000000002 109.375 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -58.26 -38.11 76.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 2.0899999999999999 109.254 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.74 -49.09 74.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.75 109.204 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.06 -40.15 94.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.373 -0.83 . . . . 2.1899999999999999 108.981 179.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.44 -34.59 66.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.529 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.71999999999999997 109.69 -179.762 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.289 0.566 . . . . 1.6699999999999999 110.313 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.34 161.42 13.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.60999999999999999 109.325 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.15 -170.48 2.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.271 -0.893 . . . . 0.56000000000000005 109.332 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -153.75 125.29 7.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 0.42999999999999999 109.008 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.9 139.54 50.51 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.605 -0.685 . . . . 0.34999999999999998 109.901 -178.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.486 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 17.7 tt0 -87.69 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.215 -0.661 . . . . 1.3700000000000001 109.215 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -124.12 118.18 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.471 -0.768 . . . . 0.47999999999999998 109.119 179.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.61 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.66 152.69 39.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 2.0800000000000001 109.513 -179.826 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 85.98 137.8 4.62 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.466 -1.054 . . . . 0.40000000000000002 110.466 178.585 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -75.63 -52.02 11.49 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.466 -1.02 . . . . 2.6400000000000001 109.275 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.49 76.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 2.2200000000000002 109.166 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.691 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.93 -44.97 91.44 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 2.7400000000000002 109.725 179.891 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.32 -57.37 12.12 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.595 -0.69 . . . . 0.42999999999999999 109.793 -179.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.44 -40.06 58.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 1.6899999999999999 110.078 -179.647 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -63.33 -50.93 68.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.059 -1.026 . . . . 0.42999999999999999 110.216 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.01 -44.6 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.148 -0.97 . . . . 0.27000000000000002 109.136 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.81 -42.79 58.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 109.201 179.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -59.66 -45.75 91.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 1.75 109.548 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.62 -48.42 80.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.31 109.193 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 45.6 t-20 -58.23 -48.63 79.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 1.22 109.661 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.54 -38.1 86.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.892 . . . . 1.73 109.453 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.74 -52.65 64.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.28000000000000003 109.797 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.79 -41.59 97.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.31 109.279 -179.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.31 -37.99 76.19 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.185 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.79 -49.16 74.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 0.42999999999999999 109.226 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.332 -0.855 . . . . 1.5700000000000001 108.944 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.46 -34.53 66.98 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.519 -0.738 . . . . 1.4399999999999999 109.567 179.677 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.51 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.163 -0.961 . . . . 0.64000000000000001 109.698 -179.751 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 1.21 109.497 -179.873 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.262 0.553 . . . . 1.7 109.732 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -93.75 156.74 16.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.60999999999999999 109.301 179.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.22 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.226 -0.921 . . . . 0.57999999999999996 109.338 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.3 p -150.35 151.07 32.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.307 -0.871 . . . . 0.41999999999999998 108.683 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.4 132.83 23.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 0.35999999999999999 109.601 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.53 127.6 34.13 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.586 -0.894 . . . . 1.3700000000000001 108.586 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.42 116.34 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.49 -0.756 . . . . 0.46999999999999997 109.222 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.68 154.57 36.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.475 -0.766 . . . . 2.1000000000000001 110.109 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 136.68 2.47 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.566 -1.014 . . . . 0.41999999999999998 110.566 179.02 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 41.4 ttm-85 -81.64 -45.76 15.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.441 -1.034 . . . . 2.6800000000000002 109.078 179.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -57.64 -47.72 81.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.064 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -62.55 -42.84 99.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.311 -0.868 . . . . 2.77 109.038 179.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -55.34 -58.47 7.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.707 -0.621 . . . . 0.42999999999999999 109.768 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.29 -37.28 46.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.346 -0.846 . . . . 1.6599999999999999 109.93 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.86 -50.59 68.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.44 110.338 -179.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.028 -1.045 . . . . 0.28999999999999998 109.387 -179.675 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.412 ' NH1' ' HG3' ' A' ' 342' ' ' ARG . 12.9 ttm-85 -51.3 -42.67 61.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.071 -1.018 . . . . 2.4399999999999999 109.176 179.57 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.3 -45.21 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.74 109.945 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.19 -43.42 98.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.107 -0.996 . . . . 0.29999999999999999 109.29 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.34 -51.29 70.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.203 -0.936 . . . . 1.22 109.348 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.67 -34.44 77.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 1.72 109.521 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.92 -53.36 59.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.352 -0.843 . . . . 0.27000000000000002 109.857 -179.651 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.24 -43.71 98.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.28999999999999998 109.286 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -58.34 -39.86 80.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.16 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.3 -37.81 88.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.247 -0.908 . . . . 0.40999999999999998 109.035 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.89 -43.8 98.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.597 -0.89 . . . . 1.5600000000000001 108.597 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.29 -36.09 68.24 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.252 -0.648 . . . . 1.4299999999999999 109.252 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.87 66.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.316 -0.865 . . . . 0.66000000000000003 109.037 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.412 HE22 HD13 ' B' ' 350' ' ' LEU . 14.4 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 1.1799999999999999 109.262 179.676 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.232 0.539 . . . . 1.6100000000000001 109.751 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -93.75 156.8 16.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.917 . . . . 0.56999999999999995 109.276 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.28 -174.18 3.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.53000000000000003 109.281 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -150.32 151.02 32.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.38 108.693 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.32 132.81 23.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.35999999999999999 109.61 -178.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.58 34.14 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.236 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.6 mt -123.39 116.37 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.549 -0.719 . . . . 0.48999999999999999 109.237 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.67 154.56 36.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 2.1000000000000001 110.092 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.28 136.7 2.43 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.567 -1.013 . . . . 0.44 110.567 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 41.5 ttm-85 -81.68 -45.71 15.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -1.037 . . . . 2.7200000000000002 109.051 179.421 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.69 -47.68 81.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.884 . . . . 2.21 109.104 179.815 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.5 -43.0 99.88 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 2.79 108.988 179.734 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.3 -58.43 7.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.674 -0.641 . . . . 0.45000000000000001 109.785 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.35 -37.28 47.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.908 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.73 -50.62 68.42 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.197 -0.94 . . . . 0.42999999999999999 110.456 -179.312 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.66 -43.47 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.076 -1.015 . . . . 0.28000000000000003 109.41 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' B' ' 342' ' ' ARG . 12.8 ttm-85 -51.26 -42.79 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.082 . . . . 2.52 109.124 179.545 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.23 -45.15 95.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.32 -0.863 . . . . 1.75 109.999 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.2 -43.53 98.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.2 -0.938 . . . . 0.31 109.261 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.2 -51.39 69.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.213 -0.929 . . . . 1.21 109.35 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.67 -34.43 77.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.875 . . . . 1.6899999999999999 109.549 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.82 -53.45 58.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.369 -0.832 . . . . 0.27000000000000002 109.9 -179.739 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.25 -43.68 98.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.29999999999999999 109.194 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.45 -39.82 80.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.164 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.412 HD13 HE22 ' A' ' 354' ' ' GLN . 26.8 tp -64.31 -37.72 88.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.314 -0.866 . . . . 0.40000000000000002 109.071 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.94 -43.84 98.0 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.588 -0.893 . . . . 1.5900000000000001 108.588 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.24 -36.1 68.13 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.228 -0.656 . . . . 1.4299999999999999 109.228 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.65000000000000002 109.021 179.743 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.223 0.535 . . . . 2.1099999999999999 109.744 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.75 156.79 16.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.306 -0.871 . . . . 0.64000000000000001 109.289 179.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.26 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.48999999999999999 109.304 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -150.39 151.02 32.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.27 -0.894 . . . . 0.46999999999999997 108.681 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.5 tp -143.37 132.83 23.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.3 -0.875 . . . . 0.41999999999999998 109.584 -178.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.6 34.15 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.617 -0.883 . . . . 1.8100000000000001 108.617 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.4 116.34 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.534 -0.729 . . . . 0.41999999999999998 109.193 -179.543 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.66 154.59 36.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.747 . . . . 2.3500000000000001 110.06 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 136.7 2.46 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.507 -1.037 . . . . 0.40999999999999998 110.507 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -81.68 -45.72 15.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -1.063 . . . . 2.5899999999999999 109.055 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.68 -47.69 81.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.85 . . . . 2.54 109.088 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.44 -42.98 99.86 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.371 -0.83 . . . . 3.3900000000000001 109.123 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.24 -58.45 7.63 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.556 -0.715 . . . . 0.46999999999999997 109.822 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.42 -37.11 46.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.964 -179.574 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.89 -50.55 68.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.19 -0.944 . . . . 0.60999999999999999 110.407 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.45 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.965 -1.084 . . . . 0.33000000000000002 109.422 -179.718 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' C' ' 342' ' ' ARG . 12.8 ttm-85 -51.23 -42.84 61.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.031 -1.043 . . . . 3.2799999999999998 109.091 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.27 -45.23 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.78 109.923 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.16 -43.47 98.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.38 109.302 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.38 70.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.2 109.326 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.34 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.561 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.92 -53.45 58.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.26000000000000001 109.854 -179.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.1 -43.77 98.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.096 -1.003 . . . . 0.40000000000000002 109.255 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.37 -39.89 80.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 2.0899999999999999 109.108 179.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.46 HD13 HE22 ' D' ' 354' ' ' GLN . 27.1 tp -64.36 -37.77 88.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.75 108.98 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.92 -43.78 98.13 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.605 -0.887 . . . . 2.1899999999999999 108.605 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -56.16 -36.22 68.07 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.296 -0.631 . . . . 1.3400000000000001 109.296 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.317 -0.864 . . . . 0.71999999999999997 109.053 179.822 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.342 0.591 . . . . 1.6699999999999999 109.679 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.68 156.78 16.51 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.203 -0.936 . . . . 0.60999999999999999 109.306 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.25 -174.26 3.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.262 -0.899 . . . . 0.56000000000000005 109.266 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.8 p -150.34 151.03 32.25 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.627 -0.879 . . . . 0.42999999999999999 108.627 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.1 tp -143.32 132.88 23.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.34999999999999998 109.548 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.7 127.62 34.19 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.249 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.4 116.32 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.444 -0.785 . . . . 0.47999999999999998 109.145 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -75.68 154.67 36.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.482 -0.762 . . . . 2.0800000000000001 110.093 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.26 136.63 2.41 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.623 -0.991 . . . . 0.40000000000000002 110.623 179.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -81.67 -45.67 15.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -1.062 . . . . 2.6400000000000001 109.067 179.445 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -57.67 -47.67 81.67 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.34 -0.85 . . . . 2.2200000000000002 109.13 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.391 -0.818 . . . . 2.7400000000000002 109.04 179.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.33 -58.42 7.8 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.58 -0.7 . . . . 0.42999999999999999 109.773 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.41 -37.17 47.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 110.014 -179.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.74 -50.63 68.35 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.25 -0.906 . . . . 0.42999999999999999 110.455 -179.326 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.027 -1.046 . . . . 0.27000000000000002 109.393 -179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.403 ' NH1' ' HG3' ' D' ' 342' ' ' ARG . 12.8 ttm-85 -51.31 -42.75 61.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 2.4500000000000002 109.089 179.519 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.34 -45.14 95.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 1.75 109.953 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.22 -43.47 98.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 0.31 109.274 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.26 70.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.935 . . . . 1.22 109.421 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.49 77.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 1.73 109.556 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.87 -53.46 58.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.292 -0.88 . . . . 0.28000000000000003 109.827 -179.661 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.16 -43.78 98.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.31 109.201 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.32 -39.83 80.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 1.9099999999999999 109.203 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.39 -37.78 88.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.42999999999999999 108.977 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.93 -43.76 98.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.241 -0.912 . . . . 1.5700000000000001 108.609 179.276 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.3 -36.11 68.29 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.247 -0.649 . . . . 1.4399999999999999 109.247 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -25.71 66.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.64000000000000001 109.172 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.46 HE22 HD13 ' C' ' 350' ' ' LEU . 14.4 tt0 . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.814 . . . . 1.21 109.198 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.25 0.548 . . . . 1.7 109.679 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.8 155.23 16.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.3 -0.875 . . . . 0.60999999999999999 109.733 179.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.83 139.79 34.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.327 -0.858 . . . . 0.57999999999999996 109.068 179.397 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.9 p -96.4 163.89 12.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 0.41999999999999998 108.894 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.7 134.87 18.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 0.35999999999999999 110.045 -179.273 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.04 127.58 34.27 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.79 -0.819 . . . . 1.3700000000000001 108.79 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.3 mt -123.42 111.17 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.524 -0.735 . . . . 0.46999999999999997 109.198 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.54 40.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 2.1000000000000001 110.027 -179.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.19 135.98 4.13 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.468 -1.053 . . . . 0.41999999999999998 110.468 179.098 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -38.4 31.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -1.037 . . . . 2.6800000000000002 108.902 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.558 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 9.9 mp0 -59.28 -46.88 87.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 2.2200000000000002 109.183 179.706 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.95 -39.86 93.55 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.529 -0.732 . . . . 2.77 109.506 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.04 -53.38 56.58 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.431 -0.793 . . . . 0.42999999999999999 109.598 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.13 -42.74 66.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.798 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.9 -50.47 70.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.313 -0.867 . . . . 0.44 110.23 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.26 -45.93 92.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 0.28999999999999998 108.986 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.83 -42.83 62.85 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.217 -0.927 . . . . 2.4399999999999999 109.38 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.97 -45.32 95.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 1.74 109.985 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 0.29999999999999999 109.252 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.34 -50.98 71.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 1.22 109.485 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.63 99.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 1.72 109.823 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -51.48 69.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.27000000000000002 109.757 -179.602 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.26 -45.46 93.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.28999999999999998 109.392 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.79 -34.46 73.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.226 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.86 -48.73 75.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.433 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.65 -43.67 98.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.4 -0.812 . . . . 1.5600000000000001 109.017 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -32.49 64.26 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.696 -0.627 . . . . 1.4299999999999999 109.404 179.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.19 78.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.66000000000000003 109.672 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.4 HE22 HD11 ' B' ' 350' ' ' LEU . 56.9 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 1.1799999999999999 109.565 -179.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.229 0.538 . . . . 1.6100000000000001 109.685 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.76 155.31 16.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.26 -0.9 . . . . 0.56999999999999995 109.744 179.789 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -140.89 139.78 34.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.319 -0.863 . . . . 0.53000000000000003 109.029 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.37 163.93 12.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.38 108.86 179.737 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.72 134.98 18.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.35999999999999999 110.047 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -85.09 127.63 34.31 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.839 -0.8 . . . . 1.3600000000000001 108.839 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.44 111.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.584 0.707 . . . . 0.48999999999999999 109.215 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.58 40.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 2.1000000000000001 110.05 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.08 136.02 4.08 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.462 -1.055 . . . . 0.44 110.462 179.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.26 -38.4 31.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -1.084 . . . . 2.7200000000000002 108.863 179.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 9.9 mp0 -59.32 -46.84 87.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 2.21 109.155 179.736 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.87 -39.98 93.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.485 -0.759 . . . . 2.79 109.501 179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.97 -53.36 56.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.45000000000000001 109.675 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.57 66.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.887 . . . . 1.6799999999999999 109.757 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.89 -50.56 70.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.333 -0.854 . . . . 0.42999999999999999 110.279 -179.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -45.98 92.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.28000000000000003 109.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.77 -42.8 62.67 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 2.52 109.486 179.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.03 -45.32 95.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.31 -0.869 . . . . 1.75 109.925 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.48 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 0.31 109.26 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.29 -50.99 71.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 1.21 109.509 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.0 -42.6 99.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.908 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.84 -51.42 69.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.258 -0.901 . . . . 0.27000000000000002 109.834 -179.693 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.32 -45.55 92.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.381 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.67 -34.34 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.238 -0.914 . . . . 1.9299999999999999 109.282 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.4 HD11 HE22 ' A' ' 354' ' ' GLN . 51.2 tp -63.99 -48.7 75.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.472 -0.767 . . . . 0.40000000000000002 109.437 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.6 -43.62 98.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.846 . . . . 1.5900000000000001 109.008 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.677 -0.64 . . . . 1.4299999999999999 109.413 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.65000000000000002 109.706 -179.933 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.279 0.561 . . . . 2.1099999999999999 109.699 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -95.87 155.3 16.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.239 -0.913 . . . . 0.64000000000000001 109.679 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.88 139.8 34.46 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.424 -0.798 . . . . 0.48999999999999999 109.027 179.403 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.35 163.8 12.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.46999999999999997 108.861 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.67 134.92 18.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.019 -1.051 . . . . 0.41999999999999998 110.039 -179.355 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.03 127.65 34.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.815 -0.809 . . . . 1.8100000000000001 108.815 179.303 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.2 mt -123.42 111.11 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 109.206 -0.665 . . . . 0.41999999999999998 109.206 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.94 147.58 40.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -0.804 . . . . 2.3500000000000001 110.059 -179.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.14 135.96 4.1 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.518 -1.033 . . . . 0.40999999999999998 110.518 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -80.22 -38.36 31.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.405 -1.056 . . . . 2.5899999999999999 108.888 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 mp0 -59.29 -46.88 87.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 2.54 109.105 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -61.96 -39.84 93.52 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.427 -0.796 . . . . 3.3900000000000001 109.502 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -55.11 -53.33 57.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.487 -0.758 . . . . 0.46999999999999997 109.578 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.6 66.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.342 -0.849 . . . . 1.6599999999999999 109.754 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.95 -50.51 70.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.267 -0.896 . . . . 0.60999999999999999 110.25 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.27 -45.94 92.42 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.071 -1.018 . . . . 0.33000000000000002 108.95 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.8 -42.86 62.8 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.283 -0.885 . . . . 3.2799999999999998 109.484 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -60.95 -45.34 95.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.352 -0.842 . . . . 1.78 109.919 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.172 -0.955 . . . . 0.38 109.262 -179.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.21 -51.07 71.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.243 -0.911 . . . . 1.2 109.525 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.97 -42.57 99.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 2.1200000000000001 109.884 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.98 -51.4 69.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.26000000000000001 109.752 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.28 -45.65 92.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.147 -0.97 . . . . 0.40000000000000002 109.326 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.62 -34.39 72.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -0.893 . . . . 2.0899999999999999 109.281 179.822 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.511 HD11 HE22 ' D' ' 354' ' ' GLN . 51.0 tp -63.92 -48.73 75.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.75 109.456 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.56 -43.72 98.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 108.95 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.07 -32.51 64.19 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.389 179.772 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 0.71999999999999997 109.702 -179.877 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.222 0.534 . . . . 1.6699999999999999 109.687 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.81 155.26 16.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.267 -0.895 . . . . 0.60999999999999999 109.676 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.89 139.86 34.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.276 -0.89 . . . . 0.56000000000000005 109.045 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 163.83 12.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.321 -0.862 . . . . 0.42999999999999999 108.856 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.65 134.97 18.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 0.34999999999999998 110.023 -179.389 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.06 127.61 34.29 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.851 -0.796 . . . . 1.3700000000000001 108.851 179.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.0 mt -123.4 111.14 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.554 -0.716 . . . . 0.47999999999999998 109.219 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.53 40.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.512 -0.743 . . . . 2.0800000000000001 110.192 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.21 135.96 4.14 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.505 -1.038 . . . . 0.40000000000000002 110.505 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.19 -38.44 31.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.6400000000000001 108.885 179.331 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 9.9 mp0 -59.27 -46.84 87.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 2.2200000000000002 109.186 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.89 -39.93 93.66 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.475 -0.766 . . . . 2.7400000000000002 109.579 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.0 -53.42 55.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.433 -0.792 . . . . 0.42999999999999999 109.643 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.21 -42.6 66.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.427 -0.795 . . . . 1.6899999999999999 109.75 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.98 -50.5 70.53 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.42999999999999999 110.236 -179.245 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -46.0 92.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.069 -1.019 . . . . 0.27000000000000002 108.967 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.87 -42.77 62.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.286 -0.884 . . . . 2.4500000000000002 109.406 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -61.03 -45.24 95.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 1.75 109.935 -179.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.5 -43.42 98.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.31 109.258 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.26 -51.01 71.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.22 109.533 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.53 99.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 1.73 109.908 -179.701 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.98 -51.37 69.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.28000000000000003 109.807 -179.646 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.28 -45.6 92.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.31 109.35 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.65 -34.43 72.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.266 179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.91 -48.72 75.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 109.374 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -62.57 -43.68 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 1.5700000000000001 109.131 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.15 -32.44 64.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.652 -0.655 . . . . 1.4399999999999999 109.442 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -44.06 78.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.64000000000000001 109.756 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.511 HE22 HD11 ' C' ' 350' ' ' LEU . 57.1 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.886 . . . . 1.21 109.604 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.289 0.566 . . . . 1.7 109.573 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -94.44 153.14 18.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 0.60999999999999999 109.602 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -135.91 -169.52 2.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.362 -0.836 . . . . 0.57999999999999996 109.397 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.21 146.88 25.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.41999999999999998 108.73 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -141.18 135.29 30.64 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.35999999999999999 109.69 -178.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.68 130.31 34.6 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.839 -0.801 . . . . 1.3700000000000001 108.839 179.214 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.54 118.8 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.555 -0.716 . . . . 0.46999999999999997 109.465 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.17 152.84 36.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 2.1000000000000001 110.076 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.09 136.29 1.2 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.476 -1.05 . . . . 0.41999999999999998 110.476 179.028 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.83 -41.5 20.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -1.042 . . . . 2.6800000000000002 108.937 179.245 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.56 -45.7 88.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.304 -0.872 . . . . 2.2200000000000002 108.658 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -62.67 -41.09 98.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.506 -0.746 . . . . 2.77 109.12 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.68 -56.37 21.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.535 -0.728 . . . . 0.42999999999999999 109.545 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.97 -36.9 51.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.464 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.97 -53.58 51.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.402 -0.811 . . . . 0.44 109.883 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.72 -44.42 96.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.135 -0.978 . . . . 0.28999999999999998 108.901 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.69 -43.73 62.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.318 -0.864 . . . . 2.4399999999999999 109.225 179.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.19 -52.03 67.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.74 109.664 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.25 -36.28 77.41 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.29999999999999999 108.665 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.23 -56.83 17.18 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.22 109.298 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.58 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.366 -0.834 . . . . 1.72 109.492 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.66 -54.06 51.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.82 . . . . 0.27000000000000002 109.909 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.53 -46.56 89.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.166 -0.959 . . . . 0.28999999999999998 109.225 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.82 -35.2 72.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.367 -0.833 . . . . 1.9099999999999999 109.197 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.19 -46.93 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.326 -0.859 . . . . 0.40999999999999998 109.317 179.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.36 -39.78 94.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.393 -0.817 . . . . 1.5600000000000001 108.975 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.27 -33.98 65.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.45 179.763 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.57 35.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.66000000000000003 109.745 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 1.1799999999999999 109.608 -179.79 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.255 0.55 . . . . 1.6100000000000001 109.524 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -94.52 153.04 18.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.295 -0.878 . . . . 0.56999999999999995 109.598 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -135.76 -169.42 2.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.351 -0.843 . . . . 0.53000000000000003 109.314 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -152.31 146.83 25.69 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.32 -0.863 . . . . 0.38 108.723 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.1 135.23 30.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.372 -0.83 . . . . 0.35999999999999999 109.716 -178.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.67 130.37 34.58 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.766 -0.827 . . . . 1.3600000000000001 108.766 179.23 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.61 118.77 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.508 -0.745 . . . . 0.48999999999999999 109.352 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.19 152.79 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 2.1000000000000001 109.985 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.1 136.34 1.22 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.473 -1.051 . . . . 0.44 110.473 179.056 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.93 -41.4 20.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.437 -1.037 . . . . 2.7200000000000002 108.934 179.274 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.63 -45.66 88.76 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.642 -0.873 . . . . 2.21 108.642 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -62.81 -40.94 98.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.427 -0.796 . . . . 2.79 109.122 179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -55.67 -56.42 20.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.45000000000000001 109.534 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.89 -36.98 50.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 1.6799999999999999 109.509 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.93 -53.58 51.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.3 -0.875 . . . . 0.42999999999999999 109.929 -179.57 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.69 -44.53 96.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28000000000000003 108.925 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.59 -43.72 62.58 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.253 -0.904 . . . . 2.52 109.277 179.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.12 -52.12 66.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.84 . . . . 1.75 109.657 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.15 -36.35 77.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.244 -0.91 . . . . 0.31 108.719 179.749 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.94 15.72 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.423 -0.798 . . . . 1.21 109.248 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.51 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.486 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.61 -54.08 51.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -0.84 . . . . 0.27000000000000002 109.951 -179.618 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.4 -46.6 89.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.173 -0.954 . . . . 0.29999999999999999 109.294 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.76 -35.24 72.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 1.9299999999999999 109.273 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.94 81.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.341 -0.849 . . . . 0.40000000000000002 109.3 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -62.36 -39.78 94.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 1.5900000000000001 109.018 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.33 -33.83 66.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.651 -0.655 . . . . 1.4299999999999999 109.447 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.769 -179.799 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.277 0.56 . . . . 2.1099999999999999 109.63 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.39 153.03 18.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.262 -0.898 . . . . 0.64000000000000001 109.633 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -135.87 -169.43 2.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.344 -0.848 . . . . 0.48999999999999999 109.341 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -152.24 146.87 25.76 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.68 -0.859 . . . . 0.46999999999999997 108.68 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.6 tp -141.13 135.2 30.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.283 -0.886 . . . . 0.41999999999999998 109.721 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.64 130.31 34.6 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.793 -0.818 . . . . 1.8100000000000001 108.793 179.229 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.58 118.82 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.526 -0.734 . . . . 0.41999999999999998 109.418 -179.711 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -76.11 152.82 36.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.585 -0.697 . . . . 2.3500000000000001 110.078 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.0 136.37 1.18 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.468 -1.053 . . . . 0.40999999999999998 110.468 179.061 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.89 -41.47 20.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -1.045 . . . . 2.5899999999999999 108.89 179.322 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.67 -45.56 89.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 2.54 108.641 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -62.83 -41.02 99.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.4 -0.813 . . . . 3.3900000000000001 109.124 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.76 -56.29 22.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.481 -0.762 . . . . 0.46999999999999997 109.513 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.94 -36.97 51.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.481 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.89 -53.63 51.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.299 -0.876 . . . . 0.60999999999999999 109.876 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -44.41 96.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.33000000000000002 108.921 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.7 -43.67 62.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 3.2799999999999998 109.233 179.629 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.07 66.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 1.78 109.66 -179.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.26 -36.31 77.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 0.38 108.644 179.768 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.17 -56.91 16.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.408 -0.808 . . . . 1.2 109.232 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.57 -31.08 72.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.1200000000000001 109.446 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.62 -54.12 50.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 0.26000000000000001 109.918 -179.63 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.44 -46.56 89.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.40000000000000002 109.24 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.86 -35.18 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 2.0899999999999999 109.262 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.92 81.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 0.75 109.297 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.48 -39.68 94.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.377 -0.827 . . . . 2.1899999999999999 108.969 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.37 -33.83 66.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.559 -0.713 . . . . 1.3400000000000001 109.453 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.71999999999999997 109.787 -179.832 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.561 -0.533 . . . . 1.6699999999999999 109.561 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.47 153.1 18.09 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.286 -0.884 . . . . 0.60999999999999999 109.557 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.91 -169.48 2.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.385 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -152.22 146.89 25.79 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 108.671 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.18 135.24 30.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.271 -0.893 . . . . 0.34999999999999998 109.73 -178.753 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.57 130.36 34.59 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.797 -0.816 . . . . 1.3700000000000001 108.797 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -123.61 118.85 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.449 -0.782 . . . . 0.47999999999999998 109.407 -179.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.25 152.8 36.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.553 -0.717 . . . . 2.0800000000000001 110.034 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.08 136.37 1.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.498 -1.041 . . . . 0.40000000000000002 110.498 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -81.86 -41.49 20.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.398 -1.06 . . . . 2.6400000000000001 108.886 179.344 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.62 -45.57 88.92 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 108.71 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.85 -40.97 99.09 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.456 -0.778 . . . . 2.7400000000000002 109.078 179.63 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.71 -56.41 20.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.488 -0.757 . . . . 0.42999999999999999 109.471 179.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.87 -36.99 50.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.236 -0.915 . . . . 1.6899999999999999 109.517 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.9 -53.54 52.49 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.275 -0.891 . . . . 0.42999999999999999 109.936 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.78 -44.45 96.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 108.854 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.61 -43.76 62.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.26 -0.9 . . . . 2.4500000000000002 109.235 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.09 66.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 1.75 109.665 -179.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.17 -36.37 77.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.91 . . . . 0.31 108.671 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.18 -56.81 17.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.445 -0.784 . . . . 1.22 109.323 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.66 -31.02 72.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.365 -0.834 . . . . 1.73 109.499 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -54.15 50.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.28000000000000003 109.95 -179.71 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.5 -46.57 89.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.143 -0.973 . . . . 0.31 109.258 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.74 -35.24 72.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 1.9099999999999999 109.257 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.14 -46.97 81.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.42999999999999999 109.339 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.39 -39.7 94.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 1.5700000000000001 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.39 -33.89 66.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.572 -0.705 . . . . 1.4399999999999999 109.367 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -52.6 35.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 0.64000000000000001 109.722 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.384 -0.823 . . . . 1.21 109.565 -179.735 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.269 0.557 . . . . 1.7 109.644 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.78 159.57 14.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.23 -0.919 . . . . 0.60999999999999999 109.568 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -139.56 -171.62 3.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.415 -0.803 . . . . 0.57999999999999996 109.309 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.6 p -150.64 148.78 29.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.41999999999999998 108.58 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.08 135.6 29.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 0.35999999999999999 109.803 -178.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.63 130.82 34.67 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.547 -0.909 . . . . 1.3700000000000001 108.547 178.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -123.39 111.86 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.503 -0.748 . . . . 0.46999999999999997 109.072 -179.516 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.87 146.47 44.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 2.1000000000000001 110.068 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 135.64 5.87 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.792 -1.323 . . . . 0.41999999999999998 109.792 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.07 -49.05 10.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.254 -1.145 . . . . 2.6800000000000002 109.642 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.29 -40.56 78.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.131 -0.981 . . . . 2.2200000000000002 109.154 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.16 -41.65 97.06 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.2 -0.938 . . . . 2.77 109.306 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -55.05 -56.34 20.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.42999999999999999 109.943 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.49 -37.02 46.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -0.904 . . . . 1.6599999999999999 109.849 -179.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.23 -52.04 63.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.232 -0.917 . . . . 0.44 110.207 -179.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.34 -44.06 97.82 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.128 -0.983 . . . . 0.28999999999999998 109.044 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.39 -43.78 62.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.308 -0.87 . . . . 2.4399999999999999 109.205 179.52 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.56 -46.55 89.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 1.74 109.77 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.11 -42.6 98.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.29999999999999999 109.131 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.23 -52.58 64.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.27 -0.893 . . . . 1.22 109.389 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.71 -35.94 79.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 1.72 109.693 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.07 -51.57 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.243 -0.911 . . . . 0.27000000000000002 109.629 -179.772 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.53 -46.35 90.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.28999999999999998 109.344 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.27 -35.5 73.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.408 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.33 -52.18 59.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.316 -0.865 . . . . 0.40999999999999998 109.469 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -63.28 -46.73 85.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.412 -0.805 . . . . 1.5600000000000001 109.102 179.787 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.546 -0.721 . . . . 1.4299999999999999 109.786 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.66000000000000003 109.743 -179.702 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 1.1799999999999999 109.771 -179.859 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.312 0.577 . . . . 1.6100000000000001 109.613 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.81 159.35 15.09 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.908 . . . . 0.56999999999999995 109.57 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -139.37 -171.57 3.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.53000000000000003 109.246 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -150.53 148.87 29.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.588 -0.894 . . . . 0.38 108.588 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.9 tp -142.2 135.58 29.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.273 -0.892 . . . . 0.35999999999999999 109.773 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.61 130.8 34.68 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.537 -0.912 . . . . 1.3600000000000001 108.537 178.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -123.42 111.87 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.535 -0.728 . . . . 0.48999999999999999 109.132 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.91 146.56 43.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.603 -0.686 . . . . 2.1000000000000001 110.019 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 135.59 5.81 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.04 -49.03 10.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -1.098 . . . . 2.7200000000000002 109.71 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.25 -40.57 77.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 2.21 109.19 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.2 -41.59 97.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.266 -0.896 . . . . 2.79 109.351 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.06 -56.35 20.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.45000000000000001 109.944 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -37.04 46.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.6799999999999999 109.911 -179.704 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.97 63.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.217 -0.927 . . . . 0.42999999999999999 110.193 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.43 -43.94 97.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.187 -0.945 . . . . 0.28000000000000003 109.055 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.48 -43.75 62.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.867 . . . . 2.52 109.196 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.55 -46.59 89.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 1.75 109.708 -179.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.19 -42.5 98.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 0.31 109.15 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.25 -52.58 64.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.248 -0.908 . . . . 1.21 109.361 179.602 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.77 -35.87 79.4 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 1.6899999999999999 109.692 -179.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.16 -51.47 69.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 0.27000000000000002 109.651 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.61 -46.0 91.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.215 -0.928 . . . . 0.29999999999999999 109.328 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -35.45 74.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.288 -0.883 . . . . 1.9299999999999999 109.425 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.27 -52.09 60.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.355 -0.841 . . . . 0.40000000000000002 109.399 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -63.45 -46.81 84.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.386 -0.822 . . . . 1.5900000000000001 109.169 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.94 -36.53 74.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.547 -0.72 . . . . 1.4299999999999999 109.806 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.155 -0.965 . . . . 0.65000000000000002 109.743 -179.633 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.232 0.539 . . . . 2.1099999999999999 109.662 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -94.73 159.32 15.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.869 . . . . 0.64000000000000001 109.698 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -139.36 -171.59 3.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.407 -0.808 . . . . 0.48999999999999999 109.273 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.59 148.68 28.94 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.665 -0.865 . . . . 0.46999999999999997 108.665 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.0 tp -142.04 135.61 29.39 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.379 -0.825 . . . . 0.41999999999999998 109.764 -178.622 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.65 130.73 34.68 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.561 -0.903 . . . . 1.8100000000000001 108.561 178.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.4 111.85 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 109.099 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.85 146.53 44.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.575 -0.703 . . . . 2.3500000000000001 110.089 -179.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.68 135.85 5.91 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.769 -1.333 . . . . 0.40999999999999998 109.769 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.33 -49.03 10.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 2.5899999999999999 109.636 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.28 -40.54 77.98 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.15 -0.969 . . . . 2.54 109.159 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -64.22 -41.64 96.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.94 . . . . 3.3900000000000001 109.338 179.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.02 -56.43 19.89 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.574 -0.704 . . . . 0.46999999999999997 109.893 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.35 -37.1 46.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 1.6599999999999999 109.875 -179.658 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.98 63.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.60999999999999999 110.164 -179.299 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.39 -44.02 97.87 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.144 -0.972 . . . . 0.33000000000000002 109.025 -179.734 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.4 -43.79 62.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 3.2799999999999998 109.248 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.52 -46.58 89.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.78 109.749 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.22 -42.5 98.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 0.38 109.121 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -58.29 -52.57 65.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.2 109.305 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -61.77 -35.84 79.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.363 -0.836 . . . . 2.1200000000000001 109.713 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.14 -51.55 69.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.26000000000000001 109.642 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.46 -46.0 91.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.40000000000000002 109.387 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.67 -35.45 74.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 2.0899999999999999 109.415 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.3 -52.06 60.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.391 -0.818 . . . . 0.75 109.454 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -63.37 -46.95 84.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.435 -0.79 . . . . 2.1899999999999999 109.135 179.704 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.89 -36.49 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.488 -0.758 . . . . 1.3400000000000001 109.813 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.71999999999999997 109.741 -179.682 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.243 0.544 . . . . 1.6699999999999999 109.681 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -94.72 159.46 15.05 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.60999999999999999 109.621 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.47 -171.54 3.16 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.56000000000000005 109.211 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.62 148.64 28.87 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.656 -0.868 . . . . 0.42999999999999999 108.656 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.98 135.64 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.34999999999999998 109.749 -178.598 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.64 130.77 34.67 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.559 -0.904 . . . . 1.3700000000000001 108.559 178.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.38 111.87 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.471 -0.768 . . . . 0.47999999999999998 109.101 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.95 146.55 43.83 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.578 -0.701 . . . . 2.0800000000000001 110.015 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.65 135.56 5.79 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.776 -1.329 . . . . 0.40000000000000002 109.776 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -81.96 -49.12 10.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -1.099 . . . . 2.6400000000000001 109.687 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.23 -40.5 77.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 109.186 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.33 -41.55 96.75 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.233 -0.917 . . . . 2.7400000000000002 109.316 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.03 -56.39 20.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.578 -0.701 . . . . 0.42999999999999999 109.91 -179.745 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.44 -37.07 46.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 1.6899999999999999 109.829 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.26 -51.95 64.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.208 -0.932 . . . . 0.42999999999999999 110.234 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.37 -44.01 97.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -0.949 . . . . 0.27000000000000002 109.084 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.4 -43.77 62.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.256 -0.903 . . . . 2.4500000000000002 109.241 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.56 -46.6 89.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.356 -0.84 . . . . 1.75 109.705 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.08 -42.67 98.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.31 109.104 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.24 -52.59 64.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.895 . . . . 1.22 109.371 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.72 -35.85 79.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.73 109.689 -179.846 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -51.51 69.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.89 . . . . 0.28000000000000003 109.65 -179.775 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.51 -46.37 90.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.26 -0.9 . . . . 0.31 109.335 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.21 -35.59 73.89 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.432 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.31 -52.14 59.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.822 . . . . 0.42999999999999999 109.497 -179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -63.3 -46.76 85.21 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.386 -0.821 . . . . 1.5700000000000001 109.089 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.02 -36.61 75.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.561 -0.712 . . . . 1.4399999999999999 109.772 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.23 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 0.64000000000000001 109.719 -179.646 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.322 -0.861 . . . . 1.21 109.792 -179.89 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.538 -0.542 . . . . 1.7 109.538 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.32 155.23 17.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.509 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.97 -171.29 2.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.443 -0.786 . . . . 0.57999999999999996 109.443 -179.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.75 148.65 28.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.365 -0.834 . . . . 0.41999999999999998 108.819 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.2 133.79 28.55 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.302 -0.874 . . . . 0.35999999999999999 109.817 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.8 127.48 34.15 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.56 -0.904 . . . . 1.3700000000000001 108.56 179.266 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.9 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.459 -0.776 . . . . 0.46999999999999997 109.444 -179.465 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -75.65 151.2 37.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 2.1000000000000001 109.685 179.759 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.45 131.92 3.98 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.121 -1.192 . . . . 0.41999999999999998 110.121 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.02 -48.61 12.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -1.07 . . . . 2.6800000000000002 109.189 179.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.37 -43.32 88.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 108.974 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.51 -42.21 98.5 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.478 -0.764 . . . . 2.77 109.189 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.44 -55.67 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.611 -0.681 . . . . 0.42999999999999999 109.727 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.84 -36.62 48.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.319 -0.863 . . . . 1.6599999999999999 109.947 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.23 67.44 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.221 -0.924 . . . . 0.44 110.237 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.08 -43.71 98.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.078 -1.014 . . . . 0.28999999999999998 108.95 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.37 -45.4 62.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.346 -0.846 . . . . 2.4399999999999999 109.514 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.58 -45.33 94.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.265 -0.897 . . . . 1.74 109.952 -179.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.26 -43.72 98.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.127 -0.983 . . . . 0.29999999999999999 109.428 -179.83 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.437 ' O ' ' OE2' ' A' ' 349' ' ' GLU . 40.3 t30 -58.98 -50.13 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.904 . . . . 1.22 109.534 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.93 -34.3 74.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 1.72 109.912 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.12 -48.6 81.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.27000000000000002 109.953 -179.647 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.96 -47.15 86.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.941 . . . . 0.28999999999999998 109.552 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 349' ' ' GLU . 0.1 OUTLIER -55.41 -39.07 69.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.09 -1.006 . . . . 1.9099999999999999 109.6 179.93 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.3 tt -63.46 -41.77 98.63 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.089 -1.078 . . . . 0.40999999999999998 108.089 179.519 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.75 -46.41 89.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 1.5600000000000001 108.465 179.122 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.34 -29.0 63.63 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.248 0.547 . . . . 1.4299999999999999 109.778 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.64 88.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.2 -0.938 . . . . 0.66000000000000003 109.567 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' HD11 ' B' ' 350' ' ' LEU . 26.5 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 1.1799999999999999 109.643 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.522 -0.548 . . . . 1.6100000000000001 109.522 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.25 155.05 17.67 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.56999999999999995 109.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.85 -171.25 2.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.333 -0.854 . . . . 0.53000000000000003 109.434 -179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.76 148.69 28.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.331 -0.856 . . . . 0.38 108.836 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -141.19 133.72 28.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.307 -0.87 . . . . 0.35999999999999999 109.881 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.76 127.44 34.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.617 -0.883 . . . . 1.3600000000000001 108.617 179.219 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.97 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.501 -0.749 . . . . 0.48999999999999999 109.424 -179.479 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -75.62 151.17 37.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.427 -0.796 . . . . 2.1000000000000001 109.725 179.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.48 131.93 4.0 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.15 -1.18 . . . . 0.44 110.15 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -80.98 -48.69 11.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -1.104 . . . . 2.7200000000000002 109.163 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.27 -43.36 87.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.095 -1.003 . . . . 2.21 109.023 179.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -63.57 -42.18 98.35 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.365 -0.835 . . . . 2.79 109.201 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -55.4 -55.59 29.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.628 -0.67 . . . . 0.45000000000000001 109.765 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.96 -36.59 50.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.266 -0.896 . . . . 1.6799999999999999 109.907 -179.561 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.1 -51.24 67.36 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.219 -0.926 . . . . 0.42999999999999999 110.156 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.06 -43.65 98.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.125 -0.985 . . . . 0.28000000000000003 109.055 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.49 -45.19 62.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.345 -0.847 . . . . 2.52 109.55 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.78 -45.21 95.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.872 . . . . 1.75 109.908 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.31 109.493 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.439 ' O ' ' OE2' ' B' ' 349' ' ' GLU . 40.3 t30 -59.11 -50.08 75.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 1.21 109.475 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -34.35 74.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.158 -0.964 . . . . 1.6899999999999999 109.843 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.05 -48.73 80.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.19 -0.944 . . . . 0.27000000000000002 109.942 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.77 -47.19 86.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.61 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' B' ' 349' ' ' GLU . 0.1 OUTLIER -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 1.9299999999999999 109.547 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.559 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.3 tt -63.48 -41.81 98.58 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.031 -1.1 . . . . 0.40000000000000002 108.031 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.18 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.537 -0.912 . . . . 1.5900000000000001 108.537 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.33 -29.12 63.69 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.284 0.564 . . . . 1.4299999999999999 109.757 179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.65000000000000002 109.592 -179.808 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 2.1099999999999999 109.539 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -93.34 155.16 17.56 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.209 -0.932 . . . . 0.64000000000000001 109.489 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.87 -171.22 2.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.386 -0.821 . . . . 0.48999999999999999 109.418 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.83 148.52 27.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.46999999999999997 108.884 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.15 133.85 28.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.268 -0.895 . . . . 0.41999999999999998 109.84 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.86 127.39 34.13 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.64 -0.874 . . . . 1.8100000000000001 108.64 179.279 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.86 114.89 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.489 -0.757 . . . . 0.41999999999999998 109.47 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.8 ttt-85 -75.72 151.23 37.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.519 -0.738 . . . . 2.3500000000000001 109.583 179.799 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.44 131.98 3.99 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.133 -1.187 . . . . 0.40999999999999998 110.133 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.04 -48.64 11.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -1.071 . . . . 2.5899999999999999 109.236 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.36 -43.24 88.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 2.54 108.993 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.6 -42.2 98.27 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.332 -0.855 . . . . 3.3900000000000001 109.184 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -55.48 -55.53 30.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.636 -0.665 . . . . 0.46999999999999997 109.776 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.94 -36.65 49.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.6599999999999999 109.91 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.99 -51.32 67.32 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.60999999999999999 110.184 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.08 -43.65 98.56 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 109.047 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.46 -45.28 62.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.227 -0.921 . . . . 3.2799999999999998 109.548 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.62 -45.31 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 1.78 109.924 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.32 -43.68 98.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.942 . . . . 0.38 109.42 -179.807 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.45 ' O ' ' OE2' ' C' ' 349' ' ' GLU . 40.5 t30 -59.05 -50.03 75.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 1.2 109.502 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.94 -34.35 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.926 . . . . 2.1200000000000001 109.872 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.11 -48.61 80.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.187 -0.946 . . . . 0.26000000000000001 109.967 -179.638 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -47.07 86.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.40000000000000002 109.607 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' C' ' 349' ' ' GLU . 0.1 OUTLIER -55.56 -39.02 70.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.038 -1.039 . . . . 2.0899999999999999 109.531 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.558 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -63.44 -41.82 98.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.056 -1.09 . . . . 0.75 108.056 179.503 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.68 -46.4 89.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 2.1899999999999999 108.538 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.27 -29.07 63.53 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.304 0.573 . . . . 1.3400000000000001 109.832 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.71999999999999997 109.67 -179.82 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.252 0.549 . . . . 1.6699999999999999 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -93.22 155.15 17.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.3 -0.875 . . . . 0.60999999999999999 109.619 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.96 -171.36 2.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.42 -0.8 . . . . 0.56000000000000005 109.382 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 148.57 28.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.218 -0.926 . . . . 0.42999999999999999 108.882 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.13 133.92 28.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.266 -0.896 . . . . 0.34999999999999998 109.843 -178.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.93 127.39 34.15 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.584 -0.895 . . . . 1.3700000000000001 108.584 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.3 mt -123.87 114.88 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.543 -0.723 . . . . 0.47999999999999998 109.481 -179.449 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.8 ttt-85 -75.59 151.28 37.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.513 -0.742 . . . . 2.0800000000000001 109.72 179.717 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.37 131.91 3.94 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.142 -1.183 . . . . 0.40000000000000002 110.142 179.659 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.01 -48.55 12.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -1.098 . . . . 2.6400000000000001 109.235 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.4 -43.29 88.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.193 -0.942 . . . . 2.2200000000000002 109.017 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.418 -0.801 . . . . 2.7400000000000002 109.222 179.604 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.653 -0.654 . . . . 0.42999999999999999 109.785 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.78 -36.73 48.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.6899999999999999 109.955 -179.675 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.18 67.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.23 -0.918 . . . . 0.42999999999999999 110.237 -179.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.15 -43.59 98.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.226 -0.922 . . . . 0.27000000000000002 109.034 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.47 -45.31 62.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.288 -0.883 . . . . 2.4500000000000002 109.444 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.66 -45.23 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 1.75 109.972 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.37 -43.65 98.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.955 . . . . 0.31 109.477 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.452 ' O ' ' OE2' ' D' ' 349' ' ' GLU . 40.3 t30 -59.01 -50.09 75.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.117 -0.989 . . . . 1.22 109.545 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.98 -34.37 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 1.73 109.826 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.13 -48.63 80.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.293 -0.879 . . . . 0.28000000000000003 109.94 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.74 -47.23 86.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.31 109.635 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' D' ' 349' ' ' GLU . 0.1 OUTLIER -55.39 -39.1 69.76 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.115 -0.991 . . . . 1.9099999999999999 109.614 179.961 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.556 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.3 tt -63.44 -41.8 98.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.077 -1.083 . . . . 0.42999999999999999 108.077 179.51 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.16 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.502 -0.925 . . . . 1.5700000000000001 108.502 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.32 -29.15 63.7 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.266 0.555 . . . . 1.4399999999999999 109.721 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.64 89.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.235 -0.916 . . . . 0.64000000000000001 109.597 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.439 ' NE2' HD11 ' C' ' 350' ' ' LEU . 26.4 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.237 -0.914 . . . . 1.21 109.567 -179.894 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.267 0.556 . . . . 1.7 109.507 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -95.46 150.0 20.78 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.273 -0.892 . . . . 0.60999999999999999 109.989 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.05 137.55 32.99 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.453 -0.943 . . . . 0.57999999999999996 108.453 178.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -95.92 163.22 13.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.379 -0.825 . . . . 0.41999999999999998 109.326 -179.49 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.81 129.93 14.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.35999999999999999 110.092 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.92 124.9 32.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.1 117.02 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.496 -0.752 . . . . 0.46999999999999997 109.669 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.48 156.84 34.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.468 -0.77 . . . . 2.1000000000000001 109.881 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.8 136.99 3.19 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.332 -1.107 . . . . 0.41999999999999998 110.332 179.093 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.48 -47.01 12.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.353 -1.086 . . . . 2.6800000000000002 109.037 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.49 -45.19 89.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 2.2200000000000002 109.074 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.5 -44.06 96.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.386 -0.821 . . . . 2.77 109.281 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.2 -57.8 9.79 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.513 -0.742 . . . . 0.42999999999999999 109.537 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.1 -39.97 60.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.4 -0.812 . . . . 1.6599999999999999 109.802 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.37 -49.61 73.15 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.318 -0.864 . . . . 0.44 110.193 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.41 97.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.28999999999999998 109.138 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.21 -42.76 61.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.186 -0.946 . . . . 2.4399999999999999 109.362 179.623 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.14 -44.62 97.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 1.74 109.859 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.51 -44.11 97.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.29999999999999999 109.131 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.55 -52.76 64.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 1.22 109.535 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.49 -35.8 81.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 1.72 109.994 -179.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.34 65.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.239 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.53 -43.1 99.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.599 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.19 -34.99 72.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.165 -0.96 . . . . 1.9099999999999999 109.514 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.66 -48.72 73.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.304 -0.873 . . . . 0.40999999999999998 109.695 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.44 -42.94 99.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.312 -0.868 . . . . 1.5600000000000001 108.97 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . 0.451 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 50.6 m-20 -55.95 -32.85 64.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.419 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -54.3 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.372 -0.83 . . . . 0.66000000000000003 110.135 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 1.1799999999999999 110.224 -179.134 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.492 -0.558 . . . . 1.6100000000000001 109.492 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -95.43 149.92 20.87 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.56999999999999995 109.986 -179.81 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.05 137.58 33.01 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.428 -0.953 . . . . 0.53000000000000003 108.428 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -95.78 163.28 13.24 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.311 -0.868 . . . . 0.38 109.312 -179.422 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.93 129.84 14.31 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.862 . . . . 0.35999999999999999 110.093 -179.119 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.91 124.84 32.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.573 -0.899 . . . . 1.3600000000000001 108.573 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.02 117.14 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.529 -0.732 . . . . 0.48999999999999999 109.62 -179.362 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -75.65 156.96 34.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.833 . . . . 2.1000000000000001 109.796 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.88 3.16 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.311 -1.116 . . . . 0.44 110.311 179.096 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.4 -47.04 12.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -1.036 . . . . 2.7200000000000002 109.056 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.44 -45.28 88.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 2.21 109.041 179.556 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 22.9 ttm180 -60.55 -43.87 96.74 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.356 -0.84 . . . . 2.79 109.257 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.33 -57.86 9.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.543 -0.723 . . . . 0.45000000000000001 109.484 -179.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.03 -39.96 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.858 -179.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.5 -49.43 73.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.267 -0.896 . . . . 0.42999999999999999 110.19 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.28 -44.53 97.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.28000000000000003 109.065 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.1 -42.84 60.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.945 . . . . 2.52 109.382 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.06 -44.68 97.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 1.75 109.851 -179.718 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -44.07 97.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.31 109.112 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.67 -52.65 64.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 1.21 109.528 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.51 -35.89 81.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.926 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -52.36 65.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.858 . . . . 0.27000000000000002 110.16 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.4 -43.15 99.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.986 . . . . 0.29999999999999999 109.628 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.23 -35.09 73.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 1.9299999999999999 109.412 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -48.79 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.40000000000000002 109.691 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.36 -42.91 99.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 1.5900000000000001 109.017 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -56.0 -32.75 64.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.607 -0.683 . . . . 1.4299999999999999 109.456 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.65000000000000002 110.156 -179.571 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.344 0.592 . . . . 2.1099999999999999 109.514 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -95.41 149.8 20.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.176 -0.952 . . . . 0.64000000000000001 110.061 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -140.91 137.54 33.22 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.437 -0.949 . . . . 0.48999999999999999 108.437 178.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.5 p -95.69 163.28 13.25 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.335 -0.853 . . . . 0.46999999999999997 109.367 -179.509 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.92 129.94 14.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.953 . . . . 0.41999999999999998 110.027 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.95 124.8 32.08 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.641 -0.874 . . . . 1.8100000000000001 108.641 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.05 117.13 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 121.558 -0.714 . . . . 0.41999999999999998 109.695 -179.391 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.63 156.92 34.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.77 . . . . 2.3500000000000001 109.817 179.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.87 3.17 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.346 -1.101 . . . . 0.40999999999999998 110.346 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.35 -47.08 12.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -1.032 . . . . 2.5899999999999999 109.036 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.51 -45.25 89.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.877 . . . . 2.54 108.966 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.451 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 22.9 ttm180 -60.57 -43.87 96.82 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.354 -0.841 . . . . 3.3900000000000001 109.276 179.729 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.34 -57.8 9.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.724 . . . . 0.46999999999999997 109.533 -179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.09 -39.94 60.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 109.796 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.45 -49.53 73.3 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.21 -0.931 . . . . 0.60999999999999999 110.175 -179.345 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.47 97.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.095 -1.003 . . . . 0.33000000000000002 109.099 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.24 -42.85 61.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.25 -0.906 . . . . 3.2799999999999998 109.358 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.97 -44.7 96.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.78 109.942 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.37 -44.2 97.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.38 109.096 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.63 -52.63 64.86 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.273 -0.892 . . . . 1.2 109.561 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.54 -35.87 81.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 110.008 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.44 65.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.26000000000000001 110.214 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.5 -42.97 99.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.697 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.32 -34.98 72.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.0899999999999999 109.498 179.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.59 -48.83 73.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 0.75 109.686 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.42 -42.88 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 108.966 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.534 -0.728 . . . . 1.3400000000000001 109.465 179.756 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 0.71999999999999997 110.139 -179.615 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.409 -0.589 . . . . 1.6699999999999999 109.409 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -95.37 149.97 20.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.60999999999999999 109.976 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.06 137.66 33.04 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.403 -0.962 . . . . 0.56000000000000005 108.403 178.782 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -95.87 163.09 13.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 0.42999999999999999 109.442 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.8 129.92 14.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.34999999999999998 110.0 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.88 124.84 32.09 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.05 117.02 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.534 -0.728 . . . . 0.47999999999999998 109.765 -179.379 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -75.46 156.79 34.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.493 -0.754 . . . . 2.0800000000000001 109.867 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.88 136.94 3.21 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.351 -1.1 . . . . 0.40000000000000002 110.351 179.063 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.47 -46.94 12.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.42 -1.047 . . . . 2.6400000000000001 109.104 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.59 -45.15 89.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 2.2200000000000002 108.964 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.418 -0.801 . . . . 2.7400000000000002 109.283 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -54.3 -57.71 10.17 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.495 -0.753 . . . . 0.42999999999999999 109.554 -179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.17 -39.9 60.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.359 -0.838 . . . . 1.6899999999999999 109.797 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.48 -49.45 73.55 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.257 -0.902 . . . . 0.42999999999999999 110.222 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.37 -44.33 97.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.0 . . . . 0.27000000000000002 109.12 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.23 -42.85 61.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 2.4500000000000002 109.326 179.641 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.05 -44.63 97.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.75 109.881 -179.691 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.48 -44.07 97.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.142 -0.974 . . . . 0.31 109.161 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.69 -52.57 65.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.22 109.587 179.765 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.6 -35.82 81.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.73 110.01 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.36 65.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.28000000000000003 110.253 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.56 -43.07 99.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.964 . . . . 0.31 109.59 -179.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.2 -35.04 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.469 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.64 -48.85 73.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.42999999999999999 109.588 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.35 -42.94 99.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.28 -0.888 . . . . 1.5700000000000001 108.995 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 50.4 m-20 -56.01 -32.77 64.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.582 -0.699 . . . . 1.4399999999999999 109.426 179.733 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.21 18.41 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.388 -0.82 . . . . 0.64000000000000001 110.168 -179.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 1.21 110.265 -179.19 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.263 0.554 . . . . 1.7 109.62 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.74 149.53 21.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.218 -0.926 . . . . 0.60999999999999999 109.654 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -140.18 138.37 35.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 108.947 179.407 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.95 163.35 12.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.41999999999999998 109.062 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.9 tp -149.33 134.01 17.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.083 -1.01 . . . . 0.35999999999999999 110.088 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -84.99 125.59 32.83 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.726 -0.842 . . . . 1.3700000000000001 108.726 179.376 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.85 111.62 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.584 -0.698 . . . . 0.46999999999999997 109.41 -179.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 32.8 ttt-85 -74.66 156.29 36.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 2.1000000000000001 109.854 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.76 138.56 4.19 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.17 -1.172 . . . . 0.41999999999999998 110.17 179.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -85.2 -48.41 9.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.383 -1.069 . . . . 2.6800000000000002 109.41 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.7 -44.17 90.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 109.332 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.49 -44.11 97.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.326 -0.859 . . . . 2.77 109.271 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.8 -57.49 10.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.645 -0.66 . . . . 0.42999999999999999 109.606 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -51.11 -38.56 52.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.791 -179.695 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.09 -51.21 67.48 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.315 -0.865 . . . . 0.44 110.24 -179.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.93 -42.9 99.05 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.28999999999999998 109.121 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.63 -42.94 62.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.197 -0.939 . . . . 2.4399999999999999 109.241 179.649 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.02 -45.56 94.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.367 -0.833 . . . . 1.74 109.844 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.08 -43.18 99.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 0.29999999999999999 109.228 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.03 -51.3 70.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.22 109.523 179.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.94 -37.32 86.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.72 109.732 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.88 -52.44 65.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.889 . . . . 0.27000000000000002 109.921 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.2 -44.64 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 0.28999999999999998 109.477 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.3 -35.2 73.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.368 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.8 -51.82 60.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.377 -0.827 . . . . 0.40999999999999998 109.29 -179.904 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.436 ' CB ' ' NZ ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.57 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 1.5600000000000001 109.123 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -35.49 69.56 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.529 179.773 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.86 80.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.66000000000000003 109.711 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.1799999999999999 109.612 -179.783 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.292 0.567 . . . . 1.6100000000000001 109.56 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.71 149.42 21.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.56999999999999995 109.743 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -140.2 138.27 35.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.306 -0.871 . . . . 0.53000000000000003 109.038 179.375 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 30.4 p -97.85 163.23 12.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.43 -0.794 . . . . 0.38 109.044 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.2 tp -149.28 134.01 17.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.123 -0.986 . . . . 0.35999999999999999 110.035 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.63 32.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.3600000000000001 108.762 179.369 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.86 111.66 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.58 -0.7 . . . . 0.48999999999999999 109.397 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 32.9 ttt-85 -74.71 156.29 36.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.475 -0.765 . . . . 2.1000000000000001 109.758 179.849 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.8 138.62 4.24 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.117 -1.193 . . . . 0.44 110.117 179.411 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.18 -48.56 9.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -1.058 . . . . 2.7200000000000002 109.403 179.766 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.62 -44.12 89.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 2.21 109.417 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.57 -43.98 97.87 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.222 -0.924 . . . . 2.79 109.262 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -53.91 -57.47 10.83 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.534 -0.729 . . . . 0.45000000000000001 109.577 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.04 -38.59 52.38 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 1.6799999999999999 109.88 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.15 -51.11 67.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.2 -0.938 . . . . 0.42999999999999999 110.2 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.08 -42.88 99.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.28000000000000003 109.044 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.56 -42.96 62.23 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.934 . . . . 2.52 109.285 179.604 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -61.05 -45.57 94.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.851 . . . . 1.75 109.808 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.03 -43.19 99.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.31 109.286 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -58.12 -51.18 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.251 -0.906 . . . . 1.21 109.526 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.0 -37.31 86.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 1.6899999999999999 109.719 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.9 -52.34 66.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 0.27000000000000002 109.942 -179.583 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.24 -44.65 96.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 0.29999999999999999 109.493 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.33 -35.03 73.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.318 -0.864 . . . . 1.9299999999999999 109.482 179.897 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -64.91 -51.87 59.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.40000000000000002 109.229 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.423 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -61.5 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.872 . . . . 1.5900000000000001 109.16 179.77 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -35.61 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.592 -0.692 . . . . 1.4299999999999999 109.414 179.818 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 0.65000000000000002 109.696 -179.729 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.278 0.561 . . . . 2.1099999999999999 109.529 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.74 149.46 21.46 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.228 -0.92 . . . . 0.64000000000000001 109.744 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.18 138.38 35.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.4 -0.812 . . . . 0.48999999999999999 108.939 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 30.5 p -97.91 163.32 12.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.46999999999999997 109.054 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.29 134.02 17.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.056 -1.027 . . . . 0.41999999999999998 110.04 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -85.12 125.67 32.98 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.691 -0.855 . . . . 1.8100000000000001 108.691 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.89 111.72 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.581 -0.699 . . . . 0.41999999999999998 109.403 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 32.7 ttt-85 -74.68 156.27 36.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.845 . . . . 2.3500000000000001 109.782 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.58 4.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.219 -1.152 . . . . 0.40999999999999998 110.219 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.1 -48.5 9.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.352 -1.087 . . . . 2.5899999999999999 109.527 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -58.62 -44.15 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 2.54 109.409 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.55 -44.1 97.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.251 -0.906 . . . . 3.3900000000000001 109.238 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -53.78 -57.48 10.74 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.525 -0.734 . . . . 0.46999999999999997 109.651 179.915 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -51.16 -38.52 52.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.852 . . . . 1.6599999999999999 109.778 -179.657 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.05 -51.27 67.36 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.297 -0.877 . . . . 0.60999999999999999 110.188 -179.3 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.93 -42.95 99.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.101 -1.0 . . . . 0.33000000000000002 109.067 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.56 -43.0 62.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.153 -0.967 . . . . 3.2799999999999998 109.208 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -60.93 -45.66 93.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.388 -0.82 . . . . 1.78 109.853 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.91 -43.38 98.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.115 -0.99 . . . . 0.38 109.218 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -57.99 -51.31 70.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.263 -0.898 . . . . 1.2 109.512 179.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.96 -37.28 86.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.734 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.9 -52.36 66.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 0.26000000000000001 109.957 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.3 mt -61.19 -44.71 96.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.119 -0.988 . . . . 0.40000000000000002 109.485 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.33 -35.07 73.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.353 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.9 -51.85 59.68 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.75 109.247 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.56 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.267 -0.896 . . . . 2.1899999999999999 109.113 179.831 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -35.49 69.63 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.599 -0.688 . . . . 1.3400000000000001 109.417 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.71999999999999997 109.685 -179.779 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.558 -0.534 . . . . 1.6699999999999999 109.558 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -95.91 149.53 21.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.251 -0.906 . . . . 0.60999999999999999 109.669 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -140.19 138.33 35.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.348 -0.845 . . . . 0.56000000000000005 108.951 179.429 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.91 163.16 12.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.104 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 44.1 tp -149.24 134.0 17.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.143 -0.973 . . . . 0.34999999999999998 110.059 -179.334 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.65 32.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.759 -0.83 . . . . 1.3700000000000001 108.759 179.357 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.87 111.65 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.527 -0.733 . . . . 0.47999999999999998 109.502 -179.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.419 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 32.8 ttt-85 -74.65 156.2 36.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.385 -0.822 . . . . 2.0800000000000001 109.837 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.84 138.58 4.25 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.14 -1.184 . . . . 0.40000000000000002 110.14 179.402 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.16 -48.5 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -1.061 . . . . 2.6400000000000001 109.359 179.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.72 -44.12 90.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.2200000000000002 109.329 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.58 -44.02 97.79 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.325 -0.859 . . . . 2.7400000000000002 109.215 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.87 -57.49 10.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.545 -0.722 . . . . 0.42999999999999999 109.597 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.1 -38.47 52.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 1.6899999999999999 109.872 -179.68 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.13 -51.15 67.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.185 -0.947 . . . . 0.42999999999999999 110.248 -179.366 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.03 -42.89 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.106 -0.996 . . . . 0.27000000000000002 109.097 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.57 -42.91 62.22 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.255 -0.903 . . . . 2.4500000000000002 109.273 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.03 -45.59 94.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.75 109.855 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.01 -43.26 99.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -0.911 . . . . 0.31 109.233 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.05 -51.28 70.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 1.22 109.531 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.97 -37.19 86.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 1.73 109.841 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -52.43 65.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.28000000000000003 109.96 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.23 -44.63 96.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.31 109.47 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.31 -35.12 73.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.893 . . . . 1.9099999999999999 109.441 179.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.93 -51.73 60.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.42999999999999999 109.248 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.0 ttmp? -61.64 -43.15 99.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.12 179.765 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -35.51 69.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 1.4399999999999999 109.474 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.79 80.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 0.64000000000000001 109.798 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 1.21 109.662 -179.887 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.294 0.568 . . . . 1.7 109.603 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.24 153.93 18.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.25 -0.906 . . . . 0.60999999999999999 109.39 179.788 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.17 -173.02 3.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.314 -0.866 . . . . 0.57999999999999996 109.308 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -150.82 153.14 34.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.239 -0.913 . . . . 0.41999999999999998 108.957 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 30.1 tp -143.9 130.36 19.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.35999999999999999 109.722 -178.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -85.74 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.792 . . . . 1.3700000000000001 108.967 179.399 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.95 111.79 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.604 0.716 . . . . 0.46999999999999997 109.391 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.25 121.23 22.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.621 -0.674 . . . . 2.1000000000000001 109.49 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.29 134.47 4.73 Favored Glycine 0 N--CA 1.501 3.022 0 N-CA-C 110.084 -1.207 . . . . 0.41999999999999998 110.084 179.512 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.94 -53.84 5.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -1.077 . . . . 2.6800000000000002 109.117 179.5 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.73 -42.63 79.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.297 -179.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.53 -44.63 90.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.4 -0.813 . . . . 2.77 108.897 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.63 -50.27 70.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.595 -0.691 . . . . 0.42999999999999999 109.66 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.91 -39.87 63.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.263 -179.438 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.58 -45.54 92.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.13 -0.982 . . . . 0.44 110.472 -179.277 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.61 -45.45 94.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.28999999999999998 109.564 -179.547 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.53 -39.61 58.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.148 -0.97 . . . . 2.4399999999999999 109.584 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.61 -53.54 56.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.74 109.865 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -60.39 -38.03 82.67 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.163 -0.96 . . . . 0.29999999999999999 108.829 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -59.06 -55.16 38.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 1.22 109.624 179.614 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.69 -32.67 74.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.72 109.877 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.31 -52.63 64.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.192 -0.943 . . . . 0.27000000000000002 110.13 -179.407 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.63 -41.41 97.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 0.28999999999999998 109.744 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.01 -37.09 76.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.162 -0.961 . . . . 1.9099999999999999 109.54 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.07 -52.04 61.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.40999999999999998 109.239 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.1 ttmp? -60.62 -42.36 96.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 1.5600000000000001 109.045 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.3 -39.17 75.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.715 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.98 66.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.66000000000000003 109.839 -179.583 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.998 . . . . 1.1799999999999999 109.447 -179.976 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.257 0.551 . . . . 1.6100000000000001 109.606 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.16 153.93 18.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.294 -0.879 . . . . 0.56999999999999995 109.45 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.16 -173.01 3.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.364 -0.835 . . . . 0.53000000000000003 109.251 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.9 p -150.85 153.17 34.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.3 -0.875 . . . . 0.38 108.929 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.91 130.4 20.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.35999999999999999 109.63 -178.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.7 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 1.3600000000000001 108.946 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.99 111.95 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.52 -0.738 . . . . 0.48999999999999999 109.355 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.3 121.3 22.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.69 . . . . 2.1000000000000001 109.461 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.12 134.54 4.77 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.08 -1.208 . . . . 0.44 110.08 179.519 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -81.96 -53.9 5.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.409 -1.053 . . . . 2.7200000000000002 109.08 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.72 -42.63 79.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.245 -0.909 . . . . 2.21 109.299 -179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.54 -44.64 90.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.331 -0.855 . . . . 2.79 108.82 179.447 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.61 -50.3 70.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.562 -0.711 . . . . 0.45000000000000001 109.639 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.82 -40.02 62.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 1.6799999999999999 110.241 -179.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.49 -45.65 92.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.197 -0.939 . . . . 0.42999999999999999 110.441 -179.189 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.51 -45.46 94.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.958 . . . . 0.28000000000000003 109.562 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.46 -39.7 57.98 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.163 -0.961 . . . . 2.52 109.545 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.6 -53.54 56.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 1.75 109.877 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.32 -38.1 82.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.169 -0.957 . . . . 0.31 108.883 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.94 -55.2 38.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.791 . . . . 1.21 109.644 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -63.74 -32.62 74.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 1.6899999999999999 109.919 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.32 -52.58 65.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 0.27000000000000002 110.163 -179.442 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.69 -41.3 97.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.29999999999999999 109.713 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -59.14 -37.01 76.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.9299999999999999 109.509 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.9 tt -64.1 -52.03 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 0.40000000000000002 109.254 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.1 ttmp? -60.6 -42.32 96.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.845 . . . . 1.5900000000000001 109.142 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -57.39 -39.17 75.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.655 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.307 -0.871 . . . . 0.65000000000000002 109.914 -179.654 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.323 0.582 . . . . 2.1099999999999999 109.591 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -93.26 153.92 18.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.188 -0.945 . . . . 0.64000000000000001 109.358 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -138.14 -173.0 3.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.369 -0.832 . . . . 0.48999999999999999 109.242 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -150.79 153.27 35.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.46999999999999997 108.971 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.98 130.24 19.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.41999999999999998 109.665 -178.803 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.64 129.8 34.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.403 -0.811 . . . . 1.8100000000000001 108.977 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.96 111.85 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 109.37 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.26 121.26 22.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.681 . . . . 2.3500000000000001 109.506 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.23 134.56 4.76 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 110.097 -1.201 . . . . 0.40999999999999998 110.097 179.54 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -82.0 -53.86 5.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -1.088 . . . . 2.5899999999999999 109.08 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.67 -42.76 79.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 2.54 109.253 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.342 -0.849 . . . . 3.3900000000000001 108.829 179.559 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.62 -50.34 70.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.512 -0.742 . . . . 0.46999999999999997 109.563 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.93 -39.85 63.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.285 -0.884 . . . . 1.6599999999999999 110.227 -179.386 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.53 -45.64 92.02 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.136 -0.978 . . . . 0.60999999999999999 110.464 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.48 -45.54 93.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.16 -0.963 . . . . 0.33000000000000002 109.559 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.5 -39.62 57.94 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.188 -0.945 . . . . 3.2799999999999998 109.562 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.64 -53.49 56.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 1.78 109.928 -179.67 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.24 -38.16 82.57 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.116 -0.99 . . . . 0.38 108.87 179.805 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.96 -55.25 37.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.45 -0.781 . . . . 1.2 109.631 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.62 -32.71 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 2.1200000000000001 109.905 -179.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.32 -52.59 65.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 0.26000000000000001 110.128 -179.373 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.66 -41.43 97.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 0.40000000000000002 109.694 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.97 -37.12 76.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 2.0899999999999999 109.552 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.07 -51.94 61.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.75 109.209 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.408 ' NZ ' ' CB ' ' C' ' 351' ' ' LYS . 3.1 ttmp? -60.69 -42.36 97.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 2.1899999999999999 109.084 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.3 -39.21 75.27 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.701 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.71999999999999997 109.916 -179.625 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.266 0.555 . . . . 1.6699999999999999 109.646 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.2 153.84 18.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.232 -0.918 . . . . 0.60999999999999999 109.417 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.13 -172.95 3.39 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.269 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -150.82 153.15 34.87 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.252 -0.905 . . . . 0.42999999999999999 108.957 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.88 130.33 19.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.303 -0.873 . . . . 0.34999999999999998 109.784 -178.858 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.72 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 108.971 179.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.01 111.86 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.624 0.726 . . . . 0.47999999999999998 109.332 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.27 121.23 22.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.545 -0.722 . . . . 2.0800000000000001 109.46 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.18 134.54 4.76 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 110.128 -1.189 . . . . 0.40000000000000002 110.128 179.515 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.95 -53.83 5.82 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.463 -1.022 . . . . 2.6400000000000001 109.173 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -56.77 -42.66 79.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.251 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.51 -44.63 90.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.353 -0.842 . . . . 2.7400000000000002 108.866 179.492 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.55 -50.38 70.19 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.606 -0.684 . . . . 0.42999999999999999 109.64 179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.89 -39.94 63.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.845 . . . . 1.6899999999999999 110.253 -179.411 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -62.45 -45.64 92.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.162 -0.961 . . . . 0.42999999999999999 110.469 -179.278 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.5 -45.52 93.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.27000000000000002 109.554 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -51.51 -39.66 58.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.116 -0.99 . . . . 2.4500000000000002 109.473 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.62 -53.49 56.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.27 -38.24 82.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.31 108.833 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.91 -55.21 38.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.418 -0.801 . . . . 1.22 109.635 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -63.68 -32.67 74.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 1.73 109.927 -179.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -52.67 64.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.28000000000000003 110.179 -179.456 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.68 -41.38 97.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.31 109.719 -179.567 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -58.98 -37.09 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.12 -0.988 . . . . 1.9099999999999999 109.514 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.15 -51.97 61.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.283 -0.885 . . . . 0.42999999999999999 109.248 -179.898 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.62 -42.42 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.299 -0.876 . . . . 1.5700000000000001 109.057 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.21 -39.3 75.19 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.499 -0.751 . . . . 1.4399999999999999 109.679 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -26.95 66.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 0.64000000000000001 109.906 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.206 -0.934 . . . . 1.21 109.362 -179.916 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.284 0.564 . . . . 1.7 110.036 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -95.71 160.31 14.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.302 -0.874 . . . . 0.60999999999999999 109.244 179.403 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.2 -168.74 2.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.381 -0.824 . . . . 0.57999999999999996 109.526 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.17 151.69 32.27 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.56 -0.904 . . . . 0.41999999999999998 108.56 179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -144.82 136.85 25.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.35999999999999999 109.825 -178.816 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -85.11 130.31 34.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.327 -0.99 . . . . 1.3700000000000001 108.327 178.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.23 111.31 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 CA-C-O 121.669 0.747 . . . . 0.46999999999999997 109.394 -179.578 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.76 143.12 46.2 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.689 -0.632 . . . . 2.1000000000000001 109.856 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.12 133.8 7.42 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.205 -1.158 . . . . 0.41999999999999998 110.205 179.462 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -80.89 -50.4 9.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.466 -1.02 . . . . 2.6800000000000002 109.599 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.83 -40.81 85.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.949 -1.094 . . . . 2.2200000000000002 109.071 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.2 -40.54 97.78 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.296 -0.878 . . . . 2.77 109.154 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.47 -55.81 27.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.628 -0.67 . . . . 0.42999999999999999 109.872 -179.623 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.48 51.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 1.6599999999999999 109.809 -179.695 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -53.3 54.73 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.235 -0.915 . . . . 0.44 110.172 -179.4 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.25 -44.08 97.83 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.074 -1.016 . . . . 0.28999999999999998 109.106 -179.663 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.44 -45.46 62.68 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.292 -0.88 . . . . 2.4399999999999999 109.525 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.81 -44.31 97.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.34 -0.85 . . . . 1.74 109.9 -179.732 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.37 -41.32 96.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.29999999999999999 109.446 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -58.39 -52.79 64.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.22 109.458 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.98 -33.67 74.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 1.72 109.737 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -52.46 65.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 0.27000000000000002 109.996 -179.434 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.1 -44.22 97.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.171 -0.955 . . . . 0.28999999999999998 109.567 -179.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.26 -40.1 80.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.347 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.36 -37.75 88.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.149 -0.969 . . . . 0.40999999999999998 109.157 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -41.18 98.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.904 0.859 . . . . 1.5600000000000001 108.769 179.518 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.78 -34.77 65.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.504 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -32.57 73.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.66000000000000003 109.354 179.831 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.313 -0.867 . . . . 1.1799999999999999 109.757 -179.95 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.305 0.574 . . . . 1.6100000000000001 110.076 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -95.66 160.38 14.53 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.274 -0.891 . . . . 0.56999999999999995 109.284 179.391 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -139.15 -168.71 2.5 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.406 -0.809 . . . . 0.53000000000000003 109.463 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.3 151.55 31.94 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.586 -0.894 . . . . 0.38 108.586 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.75 136.96 26.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.277 -0.889 . . . . 0.35999999999999999 109.833 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.2 130.29 34.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.357 -0.979 . . . . 1.3600000000000001 108.357 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.24 111.28 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.697 0.761 . . . . 0.48999999999999999 109.389 -179.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.78 143.17 46.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.123 -0.631 . . . . 2.1000000000000001 109.894 -179.725 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.14 133.9 7.47 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.193 -1.163 . . . . 0.44 110.193 179.5 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.0 -50.39 9.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.484 -1.009 . . . . 2.7200000000000002 109.62 179.792 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.74 -40.97 85.36 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.918 -1.114 . . . . 2.21 109.052 179.705 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.6 98.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.29 -0.881 . . . . 2.79 109.163 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -55.52 -55.75 28.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.615 -0.678 . . . . 0.45000000000000001 109.918 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.81 -37.48 51.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 1.6799999999999999 109.779 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.33 -53.3 54.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.191 -0.943 . . . . 0.42999999999999999 110.185 -179.396 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.24 -44.02 97.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.15 -0.969 . . . . 0.28000000000000003 109.117 -179.661 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.57 -45.38 63.07 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.302 -0.874 . . . . 2.52 109.475 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.83 -44.32 97.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 1.75 109.876 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.44 -41.32 97.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.99 . . . . 0.31 109.387 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -58.34 -52.76 64.24 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.314 -0.866 . . . . 1.21 109.524 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.61 74.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.681 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.36 -52.48 65.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 0.27000000000000002 109.998 -179.427 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.94 -44.24 97.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.29999999999999999 109.623 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.3 -40.23 81.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 1.9299999999999999 109.237 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.17 -37.66 88.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.281 -0.887 . . . . 0.40000000000000002 109.176 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.75 -41.37 99.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.842 . . . . 1.5900000000000001 108.799 179.379 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.76 -34.63 65.41 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.642 -0.662 . . . . 1.4299999999999999 109.507 179.868 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.42 -0.8 . . . . 0.65000000000000002 109.362 179.865 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.216 0.531 . . . . 2.1099999999999999 110.088 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -95.83 160.29 14.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.64000000000000001 109.303 179.385 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -139.1 -168.8 2.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.398 -0.814 . . . . 0.48999999999999999 109.458 -179.597 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -151.17 151.62 32.17 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.555 -0.905 . . . . 0.46999999999999997 108.555 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.73 137.05 26.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.41999999999999998 109.734 -178.785 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.29 34.63 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 1.8100000000000001 108.252 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.22 111.32 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 121.617 0.722 . . . . 0.41999999999999998 109.323 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.81 143.16 46.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.685 -0.634 . . . . 2.3500000000000001 109.837 -179.762 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.08 134.15 7.55 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 110.184 -1.166 . . . . 0.40999999999999998 110.184 179.481 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -81.2 -50.39 9.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.507 -0.996 . . . . 2.5899999999999999 109.605 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.72 -40.91 85.12 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.909 -1.119 . . . . 2.54 109.082 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.16 -40.61 98.03 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.327 -0.858 . . . . 3.3900000000000001 109.211 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.39 -55.83 27.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.642 -0.661 . . . . 0.46999999999999997 109.923 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.79 -37.52 51.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -0.897 . . . . 1.6599999999999999 109.752 -179.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.3 -53.38 53.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.142 -0.974 . . . . 0.60999999999999999 110.136 -179.384 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.2 -44.12 97.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.132 -0.98 . . . . 0.33000000000000002 109.16 -179.657 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.45 -45.45 62.71 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.354 -0.841 . . . . 3.2799999999999998 109.503 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.7 -44.52 96.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.78 109.9 -179.776 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.32 -41.35 96.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.141 -0.974 . . . . 0.38 109.385 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.291 -0.881 . . . . 1.2 109.489 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.67 74.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 2.1200000000000001 109.651 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -52.52 65.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.324 -0.86 . . . . 0.26000000000000001 109.988 -179.455 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.94 -44.24 97.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.40000000000000002 109.6 -179.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.25 -40.17 81.09 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.323 -0.861 . . . . 2.0899999999999999 109.297 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -37.74 88.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.75 109.09 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.66 -41.36 99.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.842 . . . . 2.1899999999999999 108.827 179.357 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.7 -34.72 65.34 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.548 -0.72 . . . . 1.3400000000000001 109.549 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.314 -0.866 . . . . 0.71999999999999997 109.393 179.843 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.294 0.568 . . . . 1.6699999999999999 110.023 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -95.73 160.33 14.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.307 -0.87 . . . . 0.60999999999999999 109.296 179.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.21 -168.79 2.52 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.508 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.2 p -151.27 151.45 31.84 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.555 -0.906 . . . . 0.42999999999999999 108.555 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.61 137.02 26.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.298 -0.876 . . . . 0.34999999999999998 109.828 -178.743 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.28 34.63 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.331 -0.989 . . . . 1.3700000000000001 108.331 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.636 0.731 . . . . 0.47999999999999998 109.312 -179.527 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.91 143.22 45.86 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.691 -0.63 . . . . 2.0800000000000001 109.802 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.15 133.95 7.49 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.173 -1.171 . . . . 0.40000000000000002 110.173 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.08 -50.33 9.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -1.053 . . . . 2.6400000000000001 109.594 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.79 -40.9 85.39 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.87 -1.143 . . . . 2.2200000000000002 109.073 179.691 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.63 98.2 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.306 -0.872 . . . . 2.7400000000000002 109.221 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.42 -55.8 27.54 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.683 -0.636 . . . . 0.42999999999999999 109.928 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.52 51.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.325 -0.859 . . . . 1.6899999999999999 109.758 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.33 -53.26 55.46 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.146 -0.971 . . . . 0.42999999999999999 110.183 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.35 -43.96 97.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.27000000000000002 109.105 -179.655 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.54 -45.46 62.99 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.36 -0.837 . . . . 2.4500000000000002 109.483 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.7 -44.43 96.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 1.75 109.914 -179.761 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.4 -41.3 96.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.112 -0.993 . . . . 0.31 109.406 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.34 -52.8 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.266 -0.897 . . . . 1.22 109.487 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.15 -33.56 74.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 1.73 109.711 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.42 -52.36 65.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.28000000000000003 109.999 -179.446 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.13 -44.13 97.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.217 -0.927 . . . . 0.31 109.532 -179.774 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.32 -40.16 81.33 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.276 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.35 -37.7 88.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.42999999999999999 109.163 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.6 -41.4 98.95 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.957 0.884 . . . . 1.5700000000000001 108.785 179.429 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.67 -34.8 65.33 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.483 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.55 73.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.349 -0.845 . . . . 0.64000000000000001 109.324 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.846 . . . . 1.21 109.771 -179.972 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.199 0.523 . . . . 1.7 109.802 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.47 152.26 18.57 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.254 -0.904 . . . . 0.60999999999999999 109.178 179.437 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.86 -175.16 3.87 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.884 . . . . 0.57999999999999996 109.416 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -150.79 149.52 29.84 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.219 -0.926 . . . . 0.41999999999999998 108.712 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.53 133.16 25.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.243 -0.911 . . . . 0.35999999999999999 109.78 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.46 128.5 34.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.455 -0.778 . . . . 1.3700000000000001 108.93 179.402 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.92 112.42 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.508 -0.745 . . . . 0.46999999999999997 109.125 -179.772 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -75.72 151.3 37.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 2.1000000000000001 109.651 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.57 9.67 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.115 -1.194 . . . . 0.41999999999999998 110.115 179.523 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -83.14 -56.54 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.43 -1.041 . . . . 2.6800000000000002 109.56 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -57.91 -38.18 75.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.2200000000000002 109.493 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.32 -44.1 97.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.21 -0.932 . . . . 2.77 109.067 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.22 -53.78 53.13 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.595 -0.691 . . . . 0.42999999999999999 109.551 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.78 56.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.431 -0.793 . . . . 1.6599999999999999 110.063 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.13 -49.16 76.98 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.199 -0.938 . . . . 0.44 110.167 -179.428 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.18 -45.41 94.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 0.28999999999999998 109.17 -179.835 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.2 -42.22 60.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 2.4399999999999999 109.365 179.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.69 -50.25 74.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.74 109.652 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.97 -40.78 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 0.29999999999999999 108.633 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.12 -54.32 48.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.539 -0.726 . . . . 1.22 109.649 179.676 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -61.68 -34.57 75.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.383 -0.823 . . . . 1.72 109.439 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.16 -51.67 68.75 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.356 -0.84 . . . . 0.27000000000000002 109.639 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.45 -47.24 86.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -0.989 . . . . 0.28999999999999998 108.957 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.22 -25.69 61.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 108.609 179.474 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -64.89 -58.2 6.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.463 -0.939 . . . . 0.40999999999999998 108.463 179.624 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.91 89.53 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.864 0.84 . . . . 1.5600000000000001 108.779 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.75 -33.45 70.28 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.376 0.608 . . . . 1.4299999999999999 109.533 179.391 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.19 88.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.207 -0.933 . . . . 0.66000000000000003 109.763 -179.673 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.52 -179.926 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.16 0.505 . . . . 1.6100000000000001 109.769 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.53 152.3 18.55 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.289 -0.882 . . . . 0.56999999999999995 109.164 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.8 -175.14 3.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.329 -0.857 . . . . 0.53000000000000003 109.434 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -150.78 149.4 29.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.28 -0.888 . . . . 0.38 108.791 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.6 tp -142.39 133.37 25.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.35999999999999999 109.831 -178.66 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.58 128.44 34.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.385 -0.822 . . . . 1.3600000000000001 108.934 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.89 112.38 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.763 . . . . 0.48999999999999999 109.143 -179.754 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.75 151.37 37.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.403 -0.811 . . . . 2.1000000000000001 109.637 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.61 139.54 9.61 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.091 -1.203 . . . . 0.44 110.091 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.14 -56.59 3.7 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.472 -1.016 . . . . 2.7200000000000002 109.46 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.95 -38.19 75.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 2.21 109.466 -179.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.1 97.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.233 -0.917 . . . . 2.79 109.029 179.795 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -56.21 -53.7 54.01 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.577 -0.702 . . . . 0.45000000000000001 109.681 179.881 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.74 -38.8 56.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.0 -179.733 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.17 -49.17 76.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.168 -0.958 . . . . 0.42999999999999999 110.147 -179.443 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.11 -45.38 94.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 0.28000000000000003 109.226 -179.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.29 60.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 2.52 109.281 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.53 -50.29 74.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.297 -0.877 . . . . 1.75 109.656 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -40.78 94.73 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.638 -0.875 . . . . 0.31 108.638 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.21 -54.27 48.81 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.468 -0.77 . . . . 1.21 109.62 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.65 -34.74 76.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.378 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.06 -51.63 68.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.403 -0.811 . . . . 0.27000000000000002 109.665 -179.913 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.47 -47.0 87.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 0.29999999999999999 109.001 179.567 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -25.56 62.58 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.608 -0.886 . . . . 1.9299999999999999 108.608 179.532 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -64.9 -58.25 6.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.47 -0.937 . . . . 0.40000000000000002 108.47 179.562 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.94 89.63 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.806 -0.813 . . . . 1.5900000000000001 108.806 -179.675 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.77 -33.45 70.31 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 109.476 -0.565 . . . . 1.4299999999999999 109.476 179.371 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.863 . . . . 0.65000000000000002 109.807 -179.682 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.243 0.544 . . . . 2.1099999999999999 109.802 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.56 152.12 18.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.248 -0.908 . . . . 0.64000000000000001 109.193 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.66 -175.06 3.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.354 -0.841 . . . . 0.48999999999999999 109.395 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.73 149.46 29.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.243 -0.91 . . . . 0.46999999999999997 108.742 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.0 tp -142.5 133.33 25.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.22 -0.925 . . . . 0.41999999999999998 109.772 -178.726 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.58 128.49 34.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 1.8100000000000001 108.954 179.38 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.96 112.42 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.579 -0.7 . . . . 0.41999999999999998 109.115 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.372 -0.83 . . . . 2.3500000000000001 109.57 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.54 9.6 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.148 -1.181 . . . . 0.40999999999999998 110.148 179.558 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -83.09 -56.52 3.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.458 -1.024 . . . . 2.5899999999999999 109.602 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -58.0 -38.21 75.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 2.54 109.442 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.01 97.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.265 -0.897 . . . . 3.3900000000000001 109.118 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.3 -53.69 54.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.527 -0.733 . . . . 0.46999999999999997 109.561 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.82 56.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 1.6599999999999999 110.059 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.2 -49.19 76.76 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.60999999999999999 110.081 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.11 -45.29 95.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.142 -0.974 . . . . 0.33000000000000002 109.323 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.3 -42.16 60.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.22 -0.925 . . . . 3.2799999999999998 109.367 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.74 -50.14 75.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 1.78 109.655 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.04 -40.72 94.71 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.19 -0.944 . . . . 0.38 108.636 179.652 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.26 -54.2 49.53 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.505 -0.747 . . . . 1.2 109.659 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.63 -34.78 76.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.408 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.01 -51.66 68.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.317 -0.865 . . . . 0.26000000000000001 109.621 -179.881 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.51 -46.9 88.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.40000000000000002 109.044 179.646 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.57 -25.59 62.7 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.542 -0.911 . . . . 2.0899999999999999 108.542 179.524 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -64.86 -58.26 6.66 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.43 -0.952 . . . . 0.75 108.43 179.636 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.64 -40.96 89.39 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.852 0.834 . . . . 2.1899999999999999 108.81 -179.669 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.76 -33.43 70.27 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.805 -0.559 . . . . 1.3400000000000001 109.517 179.421 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.71999999999999997 109.781 -179.687 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.225 0.536 . . . . 1.6699999999999999 109.746 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -95.67 152.31 18.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 0.60999999999999999 109.119 179.487 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.76 -175.13 3.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.275 -0.891 . . . . 0.56000000000000005 109.404 -179.866 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.8 149.45 29.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 0.42999999999999999 108.755 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.41 133.36 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -0.864 . . . . 0.34999999999999998 109.8 -178.654 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.57 128.39 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.372 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.84 112.36 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.577 -0.702 . . . . 0.47999999999999998 109.159 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.76 151.38 37.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 2.0800000000000001 109.575 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.58 9.62 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.143 -1.183 . . . . 0.40000000000000002 110.143 179.56 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.17 -56.55 3.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.483 -1.01 . . . . 2.6400000000000001 109.541 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.94 -38.24 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 2.2200000000000002 109.516 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.31 -44.03 97.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.291 -0.881 . . . . 2.7400000000000002 109.059 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.24 -53.74 53.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.602 -0.686 . . . . 0.42999999999999999 109.626 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.69 -38.84 56.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 1.6899999999999999 110.007 -179.692 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.15 -49.18 76.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.147 -0.971 . . . . 0.42999999999999999 110.124 -179.408 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.18 -45.29 95.21 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.207 -0.933 . . . . 0.27000000000000002 109.237 -179.871 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.24 -42.28 60.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 2.4500000000000002 109.343 179.69 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.66 -50.26 74.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.89 . . . . 1.75 109.572 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.89 -40.81 94.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.977 . . . . 0.31 108.693 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.19 -54.31 48.41 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.497 -0.752 . . . . 1.22 109.667 179.651 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.64 -34.55 75.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 1.73 109.404 -179.918 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.14 -51.67 68.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.896 . . . . 0.28000000000000003 109.625 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.5 -47.29 86.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.146 -0.971 . . . . 0.31 108.911 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.19 -25.66 61.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.645 -0.872 . . . . 1.9099999999999999 108.645 179.49 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -64.95 -58.18 6.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.469 -0.938 . . . . 0.42999999999999999 108.469 179.608 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.67 -40.98 89.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.866 0.841 . . . . 1.5700000000000001 108.732 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.7 -33.35 70.09 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.323 0.582 . . . . 1.4399999999999999 109.537 179.408 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.694 -179.617 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 1.21 109.535 -179.947 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.283 0.563 . . . . 1.7 109.707 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -93.44 157.29 16.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.60999999999999999 109.246 179.742 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.49 -170.61 2.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.284 -0.885 . . . . 0.57999999999999996 109.695 -179.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.49 149.59 31.01 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.534 -0.913 . . . . 0.41999999999999998 108.534 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.26 135.8 29.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.28 -0.888 . . . . 0.35999999999999999 109.628 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.34 131.37 34.41 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.58 -0.896 . . . . 1.3700000000000001 108.58 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.39 112.35 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.497 -0.752 . . . . 0.46999999999999997 109.533 -179.462 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -74.99 138.78 42.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.635 -0.666 . . . . 2.1000000000000001 109.314 179.524 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.04 135.22 8.82 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.716 -1.354 . . . . 0.41999999999999998 109.716 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.04 -45.76 11.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.308 -1.113 . . . . 2.6800000000000002 109.536 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.74 -42.72 93.82 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.18 -0.95 . . . . 2.2200000000000002 109.656 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.492 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -66.46 -37.36 84.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.154 -0.966 . . . . 2.77 109.662 -179.751 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.88 -52.36 60.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.437 -0.789 . . . . 0.42999999999999999 109.445 -179.846 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.77 -35.61 63.97 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.575 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.28 -53.17 53.11 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 0.44 110.515 -179.341 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.057 -1.027 . . . . 0.28999999999999998 109.046 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.12 -45.87 61.71 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.286 -0.884 . . . . 2.4399999999999999 109.408 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.48 -45.88 92.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 1.74 109.713 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.1 -42.46 98.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.895 . . . . 0.29999999999999999 109.267 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.65 -50.83 72.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 1.22 109.41 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.49 -35.93 82.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.72 109.711 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.74 -56.11 26.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.27000000000000002 109.973 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.93 -42.3 97.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.96 . . . . 0.28999999999999998 109.371 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.56 -36.25 78.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 1.9099999999999999 109.258 179.493 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.65 -49.89 71.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.854 . . . . 0.40999999999999998 109.103 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -63.54 -49.13 74.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.377 -0.827 . . . . 1.5600000000000001 108.852 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.14 -35.04 70.94 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.713 -0.617 . . . . 1.4299999999999999 109.346 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.79 66.25 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.66000000000000003 109.198 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 1.1799999999999999 109.22 179.797 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.177 0.513 . . . . 1.6100000000000001 109.792 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -93.44 157.24 16.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.56999999999999995 109.344 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.47 -170.64 2.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.873 . . . . 0.53000000000000003 109.715 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.57 149.47 30.75 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.5 -0.926 . . . . 0.38 108.5 -179.979 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -142.17 135.86 29.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.35999999999999999 109.695 -178.633 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.36 131.45 34.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.522 -0.918 . . . . 1.3600000000000001 108.522 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 112.24 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.389 -0.819 . . . . 0.48999999999999999 109.563 -179.477 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.02 138.75 42.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.657 -0.652 . . . . 2.1000000000000001 109.354 179.532 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.16 8.8 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.13 -45.54 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.276 -1.132 . . . . 2.7200000000000002 109.597 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.89 -42.7 94.38 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.204 -0.935 . . . . 2.21 109.587 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.2 ttm-85 -66.41 -37.35 85.02 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.203 -0.935 . . . . 2.79 109.696 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -53.87 -52.4 60.58 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.45000000000000001 109.497 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.71 -35.61 63.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.619 179.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.24 -53.18 53.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.42999999999999999 110.488 -179.35 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.21 -43.36 96.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.041 -1.037 . . . . 0.28000000000000003 108.989 -179.652 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.17 -45.93 61.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 2.52 109.355 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.47 -45.78 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -0.913 . . . . 1.75 109.782 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.09 -42.47 98.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.31 109.243 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.66 -50.88 72.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.213 -0.929 . . . . 1.21 109.439 179.872 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.41 -35.98 82.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 109.725 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -56.01 27.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.973 -179.574 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.13 -42.17 98.05 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -0.946 . . . . 0.29999999999999999 109.304 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.63 -36.2 78.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.239 -0.913 . . . . 1.9299999999999999 109.255 179.497 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.71 -49.87 71.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.34 -0.85 . . . . 0.40000000000000002 109.107 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.58 -49.04 74.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.359 -0.838 . . . . 1.5900000000000001 108.851 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.25 -35.03 71.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.299 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.65000000000000002 109.185 179.879 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.239 0.542 . . . . 2.1099999999999999 109.656 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 157.3 16.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.256 -0.903 . . . . 0.64000000000000001 109.292 179.692 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.43 -170.6 2.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.27 -0.894 . . . . 0.48999999999999999 109.651 -179.501 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -149.59 149.6 30.94 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.472 -0.936 . . . . 0.46999999999999997 108.472 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.24 135.73 29.14 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.231 -0.918 . . . . 0.41999999999999998 109.7 -178.599 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.24 131.45 34.42 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.588 -0.893 . . . . 1.8100000000000001 108.588 179.157 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.45 112.29 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 121.635 0.731 . . . . 0.41999999999999998 109.548 -179.456 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.05 138.84 42.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.65 -0.656 . . . . 2.3500000000000001 109.338 179.559 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.07 135.21 8.82 Favored Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.673 -1.371 . . . . 0.40999999999999998 109.673 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -85.13 -45.61 11.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.361 -1.082 . . . . 2.5899999999999999 109.527 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.83 -42.7 94.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 2.54 109.611 -179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.2 ttm-85 -66.53 -37.27 84.65 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.196 -0.94 . . . . 3.3900000000000001 109.687 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -53.83 -52.48 60.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.359 -0.838 . . . . 0.46999999999999997 109.399 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.83 -35.5 64.01 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.605 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.31 -53.14 53.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.294 -0.879 . . . . 0.60999999999999999 110.457 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.15 -43.41 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.989 -1.069 . . . . 0.33000000000000002 109.069 -179.739 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.1 -45.97 61.7 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.325 -0.86 . . . . 3.2799999999999998 109.349 179.696 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.5 -45.77 92.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 1.78 109.719 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.17 -42.46 98.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.132 -0.98 . . . . 0.38 109.227 -179.896 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.6 -50.88 72.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.225 -0.922 . . . . 1.2 109.476 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.44 -35.97 82.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1200000000000001 109.728 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.8 -55.91 29.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.26000000000000001 110.027 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.17 -42.13 98.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 0.40000000000000002 109.354 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.73 -36.13 78.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.227 -0.921 . . . . 2.0899999999999999 109.231 179.522 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.73 -49.9 71.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.75 109.072 179.844 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.48 -49.1 74.93 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 2.1899999999999999 108.866 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.18 -35.1 71.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.638 -0.664 . . . . 1.3400000000000001 109.262 179.767 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.851 . . . . 0.71999999999999997 109.194 179.923 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.264 0.554 . . . . 1.6699999999999999 109.7 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -93.45 157.34 16.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.175 -0.953 . . . . 0.60999999999999999 109.238 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.53 -170.56 2.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.56000000000000005 109.69 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -149.56 149.49 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.488 -0.93 . . . . 0.42999999999999999 108.488 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.23 135.8 29.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.296 -0.877 . . . . 0.34999999999999998 109.699 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.28 131.46 34.41 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.593 -0.892 . . . . 1.3700000000000001 108.593 179.161 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.47 112.42 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.416 -0.803 . . . . 0.47999999999999998 109.481 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.11 138.66 42.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.371 -0.603 . . . . 2.0800000000000001 109.371 179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.16 135.14 8.79 Favored Glycine 0 N--CA 1.498 2.812 0 N-CA-C 109.685 -1.366 . . . . 0.40000000000000002 109.685 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.06 -45.61 11.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.341 -1.093 . . . . 2.6400000000000001 109.567 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.81 -42.86 94.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 2.2200000000000002 109.522 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.1 ttm-85 -66.27 -37.41 85.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 2.7400000000000002 109.688 -179.773 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -53.88 -52.43 60.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.42999999999999999 109.474 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.78 -35.46 63.85 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.33 -0.856 . . . . 1.6899999999999999 109.665 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.43 -53.02 54.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.361 -0.837 . . . . 0.42999999999999999 110.482 -179.338 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.22 -43.44 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.27000000000000002 109.067 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.04 -45.91 61.46 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 2.4500000000000002 109.408 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.53 -45.81 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 1.75 109.716 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.09 -42.52 98.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.936 . . . . 0.31 109.23 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -58.63 -50.93 72.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.301 -0.875 . . . . 1.22 109.387 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.43 -35.98 82.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.311 -0.868 . . . . 1.73 109.754 -179.862 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.62 -56.02 27.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.28000000000000003 110.035 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.23 -42.11 98.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.165 -0.959 . . . . 0.31 109.289 -179.719 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.75 -36.1 78.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.215 -0.928 . . . . 1.9099999999999999 109.203 179.556 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.74 -49.75 71.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.42999999999999999 109.106 179.875 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -63.55 -49.15 74.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.45 -0.781 . . . . 1.5700000000000001 108.921 179.605 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.1 -35.17 71.04 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.634 -0.666 . . . . 1.4399999999999999 109.285 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -24.79 66.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.337 -0.852 . . . . 0.64000000000000001 109.23 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.864 . . . . 1.21 109.253 179.772 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.329 0.585 . . . . 1.7 109.767 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.48 157.6 15.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.237 -0.914 . . . . 0.60999999999999999 109.312 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.08 -171.79 3.03 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.297 -0.877 . . . . 0.57999999999999996 109.355 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.17 28.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.184 -0.947 . . . . 0.41999999999999998 108.75 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.6 tp -141.43 135.22 30.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.308 -0.87 . . . . 0.35999999999999999 109.574 -178.761 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.68 131.42 34.34 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.203 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.5 115.94 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.489 -0.757 . . . . 0.46999999999999997 109.427 -179.525 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.05 151.44 38.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.546 -0.721 . . . . 2.1000000000000001 109.698 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 136.93 3.94 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.273 -1.131 . . . . 0.41999999999999998 110.273 179.347 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.46 -48.43 11.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 2.6800000000000002 109.434 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.36 -40.09 85.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.496 179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.49 -40.65 97.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.27 -0.893 . . . . 2.77 109.398 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.29 -54.62 41.24 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.611 -0.68 . . . . 0.42999999999999999 110.03 -179.78 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.72 -38.31 54.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 110.048 -179.685 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.46 -50.45 71.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.201 -0.937 . . . . 0.44 110.125 -179.272 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.12 -45.66 93.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.133 -0.98 . . . . 0.28999999999999998 109.173 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.43 -40.78 60.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.193 -0.942 . . . . 2.4399999999999999 109.467 179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.69 -53.67 54.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.74 109.881 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.15 -38.37 82.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 108.593 179.84 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.23 -55.0 40.49 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 1.22 109.524 179.576 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.35 -31.84 73.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 1.72 109.846 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.31 -51.01 71.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.911 -179.561 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.76 -43.28 99.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.171 -0.956 . . . . 0.28999999999999998 109.313 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.22 -37.75 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.343 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.3 -39.97 94.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 0.40999999999999998 108.87 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.48 -43.93 95.85 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.879 0.847 . . . . 1.5600000000000001 108.806 179.338 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -54.76 -30.86 57.67 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.243 0.544 . . . . 1.4299999999999999 109.72 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.58 40.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.66000000000000003 109.452 -179.94 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.862 ' NE2' HD21 ' B' ' 350' ' ' LEU . 33.3 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 1.1799999999999999 109.599 -179.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.319 0.581 . . . . 1.6100000000000001 109.774 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.39 157.64 15.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.251 -0.906 . . . . 0.56999999999999995 109.327 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.12 -171.86 3.05 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.53000000000000003 109.332 -179.824 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.18 28.11 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.162 -0.961 . . . . 0.38 108.837 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -141.35 135.18 30.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.38 -0.825 . . . . 0.35999999999999999 109.62 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.68 131.37 34.35 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.2 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.45 115.94 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.537 -0.727 . . . . 0.48999999999999999 109.467 -179.53 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -75.07 151.44 38.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.499 -0.751 . . . . 2.1000000000000001 109.666 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.82 3.89 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.26 -1.136 . . . . 0.44 110.26 179.323 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.38 -48.41 11.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -1.068 . . . . 2.7200000000000002 109.422 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.22 -40.3 85.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 2.21 109.477 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.37 -40.68 97.9 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.25 -0.906 . . . . 2.79 109.386 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.4 -54.61 41.59 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.557 -0.714 . . . . 0.45000000000000001 109.889 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -51.82 -38.27 55.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.952 -179.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.47 -50.45 71.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 110.201 -179.309 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.09 -45.67 93.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.109 -0.994 . . . . 0.28000000000000003 109.23 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.44 -40.68 59.87 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.169 -0.957 . . . . 2.52 109.55 179.727 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.64 -53.87 52.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 1.75 109.829 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.01 -38.39 82.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.115 -0.991 . . . . 0.31 108.636 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.24 -54.98 40.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.497 -0.752 . . . . 1.21 109.577 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.29 -31.89 73.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.843 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.35 -50.94 71.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.27000000000000002 109.99 -179.535 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.74 -43.29 99.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 0.29999999999999999 109.325 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.26 -37.76 75.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 1.9299999999999999 109.265 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.862 HD21 ' NE2' ' A' ' 354' ' ' GLN . 4.6 tp -64.24 -39.86 94.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 0.40000000000000002 108.877 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.49 -44.04 95.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.403 -0.811 . . . . 1.5900000000000001 108.938 179.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.8 -30.76 57.85 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.245 0.545 . . . . 1.4299999999999999 109.744 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.65000000000000002 109.486 -179.927 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.22 0.533 . . . . 2.1099999999999999 109.819 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.45 157.67 15.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.234 -0.917 . . . . 0.64000000000000001 109.296 179.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.09 -171.83 3.04 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.298 -0.876 . . . . 0.48999999999999999 109.403 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.89 148.25 28.21 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.295 -0.878 . . . . 0.46999999999999997 108.752 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.43 135.18 30.09 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.354 -0.841 . . . . 0.41999999999999998 109.619 -178.729 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.71 131.47 34.33 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.609 -0.886 . . . . 1.8100000000000001 108.609 179.217 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.4 mt -123.56 115.95 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.486 -0.759 . . . . 0.41999999999999998 109.485 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.04 151.47 38.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 2.3500000000000001 109.675 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.87 3.91 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.273 -1.131 . . . . 0.40999999999999998 110.273 179.324 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.41 -48.47 11.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.408 -1.054 . . . . 2.5899999999999999 109.456 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.211 -0.931 . . . . 2.54 109.501 179.921 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.42 -40.65 97.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.25 -0.906 . . . . 3.3900000000000001 109.46 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.34 -54.68 40.59 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.484 -0.76 . . . . 0.46999999999999997 110.01 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.68 -38.3 54.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 1.6599999999999999 110.053 -179.726 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.43 -50.49 71.3 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.183 -0.948 . . . . 0.60999999999999999 110.155 -179.321 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.08 -45.71 93.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.242 -0.912 . . . . 0.33000000000000002 109.189 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.39 -40.83 60.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 3.2799999999999998 109.447 179.745 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.52 -53.85 52.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.228 -0.92 . . . . 1.78 109.9 -179.659 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.04 -38.42 82.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.139 -0.976 . . . . 0.38 108.63 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.15 -54.99 40.65 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.482 -0.761 . . . . 1.2 109.56 179.583 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.37 -31.89 73.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 2.1200000000000001 109.789 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -51.0 71.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 0.26000000000000001 109.906 -179.497 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 0.40000000000000002 109.354 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -58.27 -37.76 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.0899999999999999 109.263 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.862 HD21 ' NE2' ' D' ' 354' ' ' GLN . 4.5 tp -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 0.75 108.851 179.894 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.36 -44.17 95.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.351 -0.843 . . . . 2.1899999999999999 108.987 179.135 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.81 -30.71 57.79 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.218 0.533 . . . . 1.3400000000000001 109.787 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.71999999999999997 109.482 -179.973 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.295 0.569 . . . . 1.6699999999999999 109.737 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.51 157.58 15.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.215 -0.928 . . . . 0.60999999999999999 109.289 179.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.94 -171.77 3.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.338 -0.851 . . . . 0.56000000000000005 109.398 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 27.5 p -150.96 148.26 28.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.163 -0.96 . . . . 0.42999999999999999 108.75 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.48 135.23 30.05 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.831 . . . . 0.34999999999999998 109.544 -178.708 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.73 131.42 34.33 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.716 -0.846 . . . . 1.3700000000000001 108.716 179.197 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.53 115.94 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.436 -0.79 . . . . 0.47999999999999998 109.432 -179.504 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -74.94 151.39 38.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 2.0800000000000001 109.722 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.36 136.99 3.98 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.172 -1.171 . . . . 0.40000000000000002 110.172 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.58 -48.36 11.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.385 -1.067 . . . . 2.6400000000000001 109.502 179.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -59.27 -40.24 85.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.291 -0.881 . . . . 2.2200000000000002 109.492 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.38 -40.7 97.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.296 -0.878 . . . . 2.7400000000000002 109.409 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -55.34 -54.58 41.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 109.958 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -51.83 -38.25 55.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.981 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.49 -50.35 71.76 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 110.227 -179.316 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -61.14 -45.62 93.89 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.27000000000000002 109.211 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.45 -40.85 60.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.927 . . . . 2.4500000000000002 109.441 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.54 -53.85 52.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.75 109.863 -179.597 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.07 -38.36 82.64 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.129 -0.982 . . . . 0.31 108.584 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.19 -54.96 40.98 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.53 -0.731 . . . . 1.22 109.548 179.592 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.45 -31.75 73.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.842 . . . . 1.73 109.857 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.34 -51.06 71.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.28000000000000003 109.906 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.66 -43.28 99.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 0.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 1.9099999999999999 109.287 179.881 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.29 -40.04 95.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.42999999999999999 108.906 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.42 -43.98 95.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 1.5700000000000001 108.831 179.296 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -54.78 -30.79 57.66 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.241 0.544 . . . . 1.4399999999999999 109.77 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -52.56 40.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.64000000000000001 109.477 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.862 ' NE2' HD21 ' C' ' 350' ' ' LEU . 33.3 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 1.21 109.622 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.566 -0.531 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -94.43 151.66 19.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.325 -0.86 . . . . 0.60999999999999999 109.613 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.68 -170.43 2.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 109.393 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.98 148.04 27.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.547 -0.909 . . . . 0.41999999999999998 108.547 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.68 135.26 27.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.335 -0.853 . . . . 0.35999999999999999 109.928 -178.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -84.55 127.07 33.85 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.394 -0.965 . . . . 1.3700000000000001 108.394 179.097 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.62 111.32 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.426 -0.796 . . . . 0.46999999999999997 109.397 -179.543 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.9 ttt-85 -75.27 152.47 38.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.577 -0.702 . . . . 2.1000000000000001 109.84 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.03 134.26 4.01 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.859 -1.297 . . . . 0.41999999999999998 109.859 179.723 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.04 -46.71 17.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.402 -1.058 . . . . 2.6800000000000002 109.374 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.03 -44.16 87.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 2.2200000000000002 109.093 179.817 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -62.32 -43.56 98.53 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.249 -0.907 . . . . 2.77 108.961 179.425 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.45 11.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.67 -0.644 . . . . 0.42999999999999999 109.686 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -52.08 -40.24 60.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.358 -0.838 . . . . 1.6599999999999999 109.696 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.03 -51.66 65.87 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.29 -0.881 . . . . 0.44 110.059 -179.625 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -47.34 86.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.14 -0.975 . . . . 0.28999999999999998 108.857 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.44 64.38 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.377 -0.827 . . . . 2.4399999999999999 109.599 179.772 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.0 -43.43 95.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.247 -0.908 . . . . 1.74 109.984 -179.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.18 -40.51 94.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.127 -0.983 . . . . 0.29999999999999999 109.069 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.44 -54.81 42.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.305 -0.872 . . . . 1.22 109.439 179.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.79 -36.71 84.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -0.9 . . . . 1.72 109.724 -179.891 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.08 51.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.27000000000000002 109.928 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.69 -42.87 99.51 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.28999999999999998 109.478 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.66 -34.51 72.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.59 179.902 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.03 -51.54 63.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 0.40999999999999998 109.186 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.4 -46.26 90.88 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.274 -0.891 . . . . 1.5600000000000001 109.217 179.836 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.23 -32.09 66.18 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.595 -0.691 . . . . 1.4299999999999999 109.589 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.6 80.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.66000000000000003 109.804 -179.701 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.897 . . . . 1.1799999999999999 109.615 -179.843 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.268 0.556 . . . . 1.6100000000000001 109.532 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -94.31 151.69 19.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.228 -0.92 . . . . 0.56999999999999995 109.651 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -135.86 -170.46 2.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.329 -0.857 . . . . 0.53000000000000003 109.386 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -152.03 147.83 26.97 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.552 -0.907 . . . . 0.38 108.552 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.8 tp -142.49 135.32 28.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.214 -0.929 . . . . 0.35999999999999999 109.984 -178.703 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.56 127.09 33.87 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.428 -0.953 . . . . 1.3600000000000001 108.428 179.089 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.61 111.23 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.529 -0.732 . . . . 0.48999999999999999 109.377 -179.454 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.9 ttt-85 -75.22 152.48 38.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.555 -0.716 . . . . 2.1000000000000001 109.794 -179.9 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.0 134.19 3.96 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.863 -1.295 . . . . 0.44 109.863 179.704 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.99 -46.66 17.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -1.111 . . . . 2.7200000000000002 109.381 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.02 -44.23 87.19 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.234 -0.916 . . . . 2.21 109.102 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -62.24 -43.53 98.62 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.296 -0.878 . . . . 2.79 109.005 179.413 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.05 -57.45 11.65 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.629 -0.669 . . . . 0.45000000000000001 109.654 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.13 61.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.6799999999999999 109.645 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.13 -51.66 65.62 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 0.42999999999999999 110.01 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.17 -47.48 85.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.28000000000000003 108.823 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.96 -44.45 63.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.343 -0.848 . . . . 2.52 109.657 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 1.75 109.979 -179.651 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.19 -40.56 94.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.182 -0.949 . . . . 0.31 109.009 -179.965 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.36 -54.87 42.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 1.21 109.461 179.645 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -62.71 -36.77 84.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 1.6899999999999999 109.741 -179.918 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.03 51.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.27000000000000002 109.941 -179.592 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.29999999999999999 109.436 -179.788 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.71 -34.52 73.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.582 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -63.93 -51.65 63.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.268 -0.895 . . . . 0.40000000000000002 109.125 -179.894 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.37 -46.22 91.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.5900000000000001 109.232 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 40.5 m-20 -57.27 -32.08 66.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.568 -0.708 . . . . 1.4299999999999999 109.546 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.65000000000000002 109.782 -179.656 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.565 -0.532 . . . . 2.1099999999999999 109.565 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -94.32 151.79 19.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -0.907 . . . . 0.64000000000000001 109.632 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -135.79 -170.49 2.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.346 -0.846 . . . . 0.48999999999999999 109.354 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.98 148.06 27.29 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.531 -0.915 . . . . 0.46999999999999997 108.531 179.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.9 tp -142.72 135.24 27.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.235 -0.916 . . . . 0.41999999999999998 109.961 -178.688 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 127.16 33.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.412 -0.958 . . . . 1.8100000000000001 108.412 179.127 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.67 111.28 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.491 -0.756 . . . . 0.41999999999999998 109.337 -179.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.46 38.12 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.625 -0.672 . . . . 2.3500000000000001 109.813 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.06 134.25 4.01 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.81 -1.316 . . . . 0.40999999999999998 109.81 179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.0 -46.78 17.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -1.14 . . . . 2.5899999999999999 109.343 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.05 -44.04 87.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.28 -0.887 . . . . 2.54 109.134 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -62.39 -43.51 98.65 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.298 -0.876 . . . . 3.3900000000000001 108.944 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.07 -57.4 11.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.652 -0.655 . . . . 0.46999999999999997 109.684 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -52.15 -40.15 60.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 109.677 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.11 -51.66 65.67 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.366 -0.834 . . . . 0.60999999999999999 110.052 -179.622 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.19 -47.39 86.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.33000000000000002 108.877 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.37 64.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.4 -0.812 . . . . 3.2799999999999998 109.637 179.781 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.93 -43.58 94.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 1.78 110.006 -179.733 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.09 -40.45 93.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.38 109.122 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.48 -54.85 42.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.355 -0.841 . . . . 1.2 109.471 179.64 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.78 -36.73 84.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.348 -0.845 . . . . 2.1200000000000001 109.733 -179.902 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.02 51.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.26000000000000001 109.981 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.68 -42.78 99.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 0.40000000000000002 109.527 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.75 -34.6 73.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.175 -0.953 . . . . 2.0899999999999999 109.525 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.497 HD23 ' O ' ' C' ' 350' ' ' LEU . 2.1 tt -63.89 -51.63 63.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -0.898 . . . . 0.75 109.181 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.33 -46.27 90.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -0.863 . . . . 2.1899999999999999 109.271 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 40.7 m-20 -57.17 -32.14 66.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.629 -0.669 . . . . 1.3400000000000001 109.577 179.873 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.71999999999999997 109.841 -179.664 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.526 -0.546 . . . . 1.6699999999999999 109.526 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -94.34 151.62 19.27 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.60999999999999999 109.621 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.73 -170.39 2.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.381 -0.825 . . . . 0.56000000000000005 109.364 179.876 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -152.06 147.92 27.07 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.532 -0.914 . . . . 0.42999999999999999 108.532 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.52 135.43 28.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -0.839 . . . . 0.34999999999999998 109.957 -178.711 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.65 127.09 33.9 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.459 -0.941 . . . . 1.3700000000000001 108.459 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.61 111.26 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.506 -0.746 . . . . 0.47999999999999998 109.357 -179.433 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.48 38.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.624 -0.672 . . . . 2.0800000000000001 109.806 -179.905 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.96 134.25 3.96 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.887 -1.285 . . . . 0.40000000000000002 109.887 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.97 -46.76 17.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -1.135 . . . . 2.6400000000000001 109.407 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.01 -44.16 87.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 2.2200000000000002 109.047 179.809 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -62.27 -43.63 98.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.282 -0.886 . . . . 2.7400000000000002 108.929 179.485 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.41 11.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.645 -0.659 . . . . 0.42999999999999999 109.698 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.22 61.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.873 . . . . 1.6899999999999999 109.636 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.01 -51.68 65.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.25 -0.906 . . . . 0.42999999999999999 110.059 -179.614 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.18 -47.44 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.27000000000000002 108.896 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.97 -44.46 64.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 2.4500000000000002 109.647 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.97 -43.51 95.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 1.75 110.076 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.06 -40.5 93.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.12 -0.988 . . . . 0.31 109.099 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.43 -54.9 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.273 -0.892 . . . . 1.22 109.373 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -36.73 84.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.873 . . . . 1.73 109.745 -179.844 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.02 51.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.139 -0.976 . . . . 0.28000000000000003 109.933 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.68 -42.87 99.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.31 109.462 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.68 -34.5 72.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 109.617 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.499 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.1 tt -63.97 -51.63 63.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.42999999999999999 109.132 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.44 -46.22 91.01 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.314 -0.866 . . . . 1.5700000000000001 109.206 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -57.2 -32.13 66.17 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.554 -0.716 . . . . 1.4399999999999999 109.541 179.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.54 80.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.64000000000000001 109.802 -179.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 1.21 109.65 -179.853 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.318 0.58 . . . . 1.7 109.711 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.68 155.94 16.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.279 -0.888 . . . . 0.60999999999999999 109.79 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -135.86 -168.68 2.26 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.515 -0.741 . . . . 0.57999999999999996 109.099 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.35 152.46 33.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.918 . . . . 0.41999999999999998 108.86 -179.763 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 69.2 tp -143.04 135.74 27.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 0.35999999999999999 109.883 -178.749 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.06 127.35 34.18 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.711 -0.848 . . . . 1.3700000000000001 108.711 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.24 112.01 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.533 -0.729 . . . . 0.46999999999999997 109.073 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.14 45.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.63 -0.669 . . . . 2.1000000000000001 110.533 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.65 131.61 5.31 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.361 -1.096 . . . . 0.41999999999999998 110.361 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.48 HH11 ' HG3' ' A' ' 335' ' ' ARG . 3.3 ttm-85 -80.01 -39.33 30.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 2.6800000000000002 108.878 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 -49.38 77.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.243 -0.91 . . . . 2.2200000000000002 109.205 179.688 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.476 ' NH1' ' HG3' ' A' ' 337' ' ' ARG . 10.8 ttm-85 -63.97 -36.37 83.75 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.255 -0.903 . . . . 2.77 109.741 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -51.99 -52.02 53.4 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.451 -0.78 . . . . 0.42999999999999999 109.144 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 72.1 mm-40 -53.94 -38.56 65.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 1.6599999999999999 109.297 179.383 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.45 -55.97 22.58 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.387 -0.82 . . . . 0.44 110.233 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.64 -48.23 82.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.28999999999999998 109.28 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 8.6 ttm180 -52.26 -39.34 60.25 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.19 -0.944 . . . . 2.4399999999999999 109.845 -179.804 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.22 -43.25 99.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.185 -0.947 . . . . 1.74 110.293 -179.433 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.34 -41.89 94.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.29999999999999999 109.503 -179.552 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.74 -52.76 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.22 109.85 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 1.3 mp0 -62.46 -38.96 91.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.308 -0.87 . . . . 1.72 109.76 -179.496 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.21 66.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.27000000000000002 109.687 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.41 -44.51 96.27 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.422 -0.799 . . . . 0.28999999999999998 109.38 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.95 -34.49 71.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 1.9099999999999999 109.417 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.35 -49.72 70.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.40999999999999998 109.187 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.36 -48.55 75.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.413 -0.804 . . . . 1.5600000000000001 108.932 179.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.61 -29.49 64.57 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.658 -0.651 . . . . 1.4299999999999999 109.652 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.62 78.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.66000000000000003 109.394 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.1799999999999999 109.482 179.959 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.288 0.566 . . . . 1.6100000000000001 109.735 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -95.59 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 0.56999999999999995 109.848 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -135.78 -168.79 2.28 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.445 -0.784 . . . . 0.53000000000000003 109.113 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.4 p -151.29 152.39 33.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.214 -0.929 . . . . 0.38 108.916 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.91 135.79 27.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.307 -0.871 . . . . 0.35999999999999999 109.884 -178.743 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.16 127.39 34.24 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.643 -0.873 . . . . 1.3600000000000001 108.643 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.27 112.07 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.477 -0.764 . . . . 0.48999999999999999 109.061 -179.561 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.87 145.04 45.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.566 -0.709 . . . . 2.1000000000000001 110.524 -179.288 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 131.51 5.32 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.428 -1.069 . . . . 0.44 110.428 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' B' ' 335' ' ' ARG . 3.3 ttm-85 -80.03 -39.15 30.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.536 -0.979 . . . . 2.7200000000000002 108.966 179.312 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.69 -49.37 77.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.252 -0.905 . . . . 2.21 109.168 179.664 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.475 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 10.7 ttm-85 -63.99 -36.39 83.83 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.237 -0.915 . . . . 2.79 109.654 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -52.08 -51.89 54.81 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.351 -0.843 . . . . 0.45000000000000001 109.162 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 72.3 mm-40 -53.98 -38.58 65.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.248 179.371 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -62.39 -55.99 22.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 110.211 -179.543 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.7 -48.33 82.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.28000000000000003 109.213 179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 8.6 ttm180 -52.17 -39.38 59.98 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.266 -0.896 . . . . 2.52 109.848 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.26 -43.21 99.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.229 -0.919 . . . . 1.75 110.315 -179.439 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.3 -41.93 94.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.118 -0.989 . . . . 0.31 109.523 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.75 -52.77 64.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.21 109.864 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.91 91.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 109.815 -179.535 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.31 65.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.116 -0.99 . . . . 0.27000000000000002 109.671 -179.631 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.31 -44.5 96.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.342 -0.849 . . . . 0.29999999999999999 109.463 -179.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.91 -34.51 71.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.403 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.39 -49.73 70.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.40000000000000002 109.058 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.39 -48.55 75.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.896 -0.779 . . . . 1.5900000000000001 108.896 179.66 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.58 -29.52 64.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.68 -0.638 . . . . 1.4299999999999999 109.661 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.198 -0.939 . . . . 0.65000000000000002 109.435 -179.884 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.276 0.56 . . . . 2.1099999999999999 109.808 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.69 155.92 16.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.64000000000000001 109.835 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.83 -168.88 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.459 -0.775 . . . . 0.48999999999999999 109.123 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -151.25 152.43 33.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.204 -0.935 . . . . 0.46999999999999997 108.928 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.97 135.78 27.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.286 -0.884 . . . . 0.41999999999999998 109.886 -178.697 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.19 127.31 34.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.694 -0.854 . . . . 1.8100000000000001 108.694 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.2 112.11 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.534 -0.729 . . . . 0.41999999999999998 109.039 -179.562 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.94 145.13 44.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.72 . . . . 2.3500000000000001 110.474 -179.305 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 131.52 5.28 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.454 -1.059 . . . . 0.40999999999999998 110.454 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' C' ' 335' ' ' ARG . 3.3 ttm-85 -79.98 -39.32 30.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.539 -0.977 . . . . 2.5899999999999999 108.91 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.5 -49.42 77.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 2.54 109.243 179.667 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.479 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 10.8 ttm-85 -63.95 -36.44 83.97 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.21 -0.931 . . . . 3.3900000000000001 109.755 -179.862 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.02 -51.96 53.94 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.46999999999999997 109.104 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 72.3 mm-40 -53.94 -38.61 65.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 1.6599999999999999 109.249 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.38 -56.08 21.73 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.24 -0.912 . . . . 0.60999999999999999 110.221 -179.574 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.54 -48.33 82.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.33000000000000002 109.33 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 8.6 ttm180 -52.19 -39.39 60.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.221 -0.925 . . . . 3.2799999999999998 109.841 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.33 -43.14 99.38 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.148 -0.97 . . . . 1.78 110.277 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.33 -41.92 94.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.105 -0.997 . . . . 0.38 109.527 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.76 -52.77 64.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.131 -0.98 . . . . 1.2 109.888 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.94 91.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.915 . . . . 2.1200000000000001 109.814 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.31 65.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 0.26000000000000001 109.674 -179.638 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.21 -44.65 96.11 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.389 -0.82 . . . . 0.40000000000000002 109.459 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.82 -34.52 71.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.368 -0.833 . . . . 2.0899999999999999 109.481 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.34 -49.81 70.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 0.75 109.086 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.31 -48.58 75.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.443 -0.785 . . . . 2.1899999999999999 108.936 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.62 -29.45 64.55 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.65 -0.656 . . . . 1.3400000000000001 109.681 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.71999999999999997 109.457 -179.96 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.299 0.571 . . . . 1.6699999999999999 109.741 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -95.61 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.60999999999999999 109.811 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.85 -168.82 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.39 -0.819 . . . . 0.56000000000000005 109.162 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.3 152.27 32.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 108.956 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 69.5 tp -142.91 135.76 27.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.288 -0.883 . . . . 0.34999999999999998 109.912 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.05 127.33 34.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.723 -0.843 . . . . 1.3700000000000001 108.723 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.19 112.01 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.555 -0.715 . . . . 0.47999999999999998 109.077 -179.566 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -73.9 145.16 45.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.555 -0.715 . . . . 2.0800000000000001 110.511 -179.31 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.62 131.61 5.3 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.459 -1.056 . . . . 0.40000000000000002 110.459 179.327 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.479 HH11 ' HG3' ' D' ' 335' ' ' ARG . 3.3 ttm-85 -80.0 -39.29 30.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.49 -1.006 . . . . 2.6400000000000001 108.944 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.59 -49.41 77.65 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.155 -0.966 . . . . 2.2200000000000002 109.147 179.737 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.472 ' NH1' ' HG3' ' D' ' 337' ' ' ARG . 10.6 ttm-85 -63.95 -36.45 84.01 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.245 -0.909 . . . . 2.7400000000000002 109.717 -179.842 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -51.99 -51.96 53.77 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.312 -0.867 . . . . 0.42999999999999999 109.165 -179.813 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 72.4 mm-40 -53.98 -38.64 65.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.6899999999999999 109.217 179.402 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.34 -56.06 22.03 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.369 -0.832 . . . . 0.42999999999999999 110.242 -179.55 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.59 -48.35 82.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.145 -0.972 . . . . 0.27000000000000002 109.279 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 8.6 ttm180 -52.11 -39.43 59.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.275 -0.89 . . . . 2.4500000000000002 109.848 -179.821 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.28 -43.13 99.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 1.75 110.342 -179.405 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.39 -41.85 94.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.31 109.541 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.73 -52.83 64.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.912 . . . . 1.22 109.876 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 1.3 mp0 -62.36 -38.9 91.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.181 -0.949 . . . . 1.73 109.811 -179.532 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 0.28000000000000003 109.683 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.31 109.439 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.89 -34.56 71.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.42 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.31 -49.83 70.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 109.109 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.31 -48.46 75.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.42 -0.8 . . . . 1.5700000000000001 108.966 179.627 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.8 -29.48 64.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.641 -0.662 . . . . 1.4399999999999999 109.586 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.57 78.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.17 -0.957 . . . . 0.64000000000000001 109.465 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.21 109.491 179.978 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.346 -0.613 . . . . 1.7 109.346 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 21.1 m-85 -94.31 149.33 21.34 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.237 -0.915 . . . . 0.60999999999999999 109.739 -179.745 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.19 138.45 35.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.57999999999999996 108.83 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.7 p -94.15 165.22 12.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.41999999999999998 109.283 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.28 13.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.168 -0.957 . . . . 0.35999999999999999 109.935 -179.133 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -84.03 126.99 33.58 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.483 -0.932 . . . . 1.3700000000000001 108.483 179.362 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.46 117.51 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.536 -0.727 . . . . 0.46999999999999997 109.969 -179.102 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.16 155.64 32.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.603 -0.686 . . . . 2.1000000000000001 109.684 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.82 2.11 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.457 -1.057 . . . . 0.41999999999999998 110.457 179.003 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.22 -42.13 14.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.428 -1.043 . . . . 2.6800000000000002 109.26 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.82 -46.71 88.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.799 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' A' ' 337' ' ' ARG . 18.8 ttm-85 -63.95 -39.94 95.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.191 -0.943 . . . . 2.77 109.7 -179.694 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.17 -54.43 30.84 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.286 179.858 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.57 -37.84 63.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.325 -0.859 . . . . 1.6599999999999999 109.741 -179.639 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.03 -49.75 71.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 0.44 110.456 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.06 -43.16 95.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.28999999999999998 109.127 -179.607 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.64 -44.6 57.44 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 2.4399999999999999 109.468 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.414 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 tp10 -61.54 -47.32 86.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 1.74 109.703 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.9 -45.02 96.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.235 -0.916 . . . . 0.29999999999999999 109.352 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.67 -50.19 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.905 . . . . 1.22 109.464 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 92.8 mt-10 -64.07 -35.82 81.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 1.72 109.802 -179.776 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.76 -58.36 8.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -0.814 . . . . 0.27000000000000002 110.268 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.24 -38.82 84.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.28999999999999998 109.504 -179.539 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.64 -33.61 73.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 108.875 179.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' B' ' 350' ' ' LEU . 2.7 tt -64.67 -52.45 57.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.40999999999999998 109.077 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 31.1 ttmt -62.03 -47.03 86.58 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.401 -0.812 . . . . 1.5600000000000001 109.008 179.795 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.82 -30.75 65.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.327 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -30.87 70.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.386 -0.821 . . . . 0.66000000000000003 109.526 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.245 -0.909 . . . . 1.1799999999999999 109.247 179.856 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.405 -0.591 . . . . 1.6100000000000001 109.405 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.436 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 20.6 m-85 -94.25 149.22 21.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.234 -0.916 . . . . 0.56999999999999995 109.879 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.47 35.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -0.844 . . . . 0.53000000000000003 108.859 179.251 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.9 p -94.17 165.39 12.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -0.875 . . . . 0.38 109.207 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.19 13.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 0.35999999999999999 109.962 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.85 126.99 33.51 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.559 -0.904 . . . . 1.3600000000000001 108.559 179.294 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 117.62 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.537 -0.727 . . . . 0.48999999999999999 109.923 -179.166 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.21 155.7 32.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.511 -0.743 . . . . 2.1000000000000001 109.62 179.319 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.89 2.13 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.468 -1.053 . . . . 0.44 110.468 178.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -85.33 -42.12 14.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.39 -1.065 . . . . 2.7200000000000002 109.293 179.444 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.77 -46.79 88.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.414 -0.804 . . . . 2.21 109.809 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.0 ttm-85 -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.213 -0.929 . . . . 2.79 109.715 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.15 -54.46 30.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.306 -0.871 . . . . 0.45000000000000001 109.308 179.853 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.44 -37.99 63.11 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 109.826 -179.732 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' C' ' 340' ' ' MET . 25.2 ttp -63.97 -49.79 71.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 110.49 -179.147 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.07 -43.05 95.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.11 -0.994 . . . . 0.28000000000000003 109.186 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.73 -44.52 58.35 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.186 -0.946 . . . . 2.52 109.465 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 tp10 -61.59 -47.29 86.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 1.75 109.685 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.98 -45.03 96.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.177 -0.952 . . . . 0.31 109.316 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.66 -50.12 75.09 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.291 -0.881 . . . . 1.21 109.489 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.544 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 92.8 mt-10 -64.18 -35.49 80.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.859 -179.797 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.05 -58.26 9.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.27000000000000002 110.232 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.31 -38.78 84.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.29999999999999999 109.505 -179.546 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.64 73.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.012 . . . . 1.9299999999999999 108.931 179.196 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' A' ' 350' ' ' LEU . 2.8 tt -64.7 -52.46 57.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.472 -0.767 . . . . 0.40000000000000002 109.057 179.806 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.44 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 30.9 ttmt -62.02 -47.02 86.63 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.423 -0.798 . . . . 1.5900000000000001 109.016 179.764 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -30.62 65.99 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.572 -0.705 . . . . 1.4299999999999999 109.39 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 109.523 -179.972 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.364 -0.606 . . . . 2.1099999999999999 109.364 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 20.8 m-85 -94.24 149.31 21.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 0.64000000000000001 109.83 -179.798 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -140.16 138.44 35.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 0.48999999999999999 108.877 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -94.17 165.3 12.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.428 -0.795 . . . . 0.46999999999999997 109.244 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.16 13.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.978 . . . . 0.41999999999999998 109.998 -179.136 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.84 126.91 33.43 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.348 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -124.44 117.52 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.523 -0.735 . . . . 0.41999999999999998 110.011 -179.117 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.13 155.69 32.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.582 -0.699 . . . . 2.3500000000000001 109.659 179.361 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.43 136.91 2.12 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.415 -1.074 . . . . 0.40999999999999998 110.415 178.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -85.31 -42.18 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.456 -1.026 . . . . 2.5899999999999999 109.245 179.418 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.78 -46.79 88.08 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.336 -0.853 . . . . 2.54 109.764 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.488 HH11 ' HG3' ' C' ' 337' ' ' ARG . 18.9 ttm-85 -63.91 -39.99 95.46 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.226 -0.921 . . . . 3.3900000000000001 109.668 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.13 -54.53 29.5 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.329 -0.857 . . . . 0.46999999999999997 109.299 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.42 -37.84 62.93 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.869 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' B' ' 340' ' ' MET . 25.3 ttp -64.03 -49.8 70.98 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.337 -0.852 . . . . 0.60999999999999999 110.455 -179.142 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.05 -43.1 95.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.101 -1.0 . . . . 0.33000000000000002 109.215 -179.627 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.67 -44.5 57.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.198 -0.938 . . . . 3.2799999999999998 109.533 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 tp10 -61.52 -47.37 85.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 1.78 109.703 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.91 -45.06 96.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.227 -0.92 . . . . 0.38 109.356 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.64 -50.22 74.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.313 -0.867 . . . . 1.2 109.463 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.53 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 92.8 mt-10 -64.16 -35.46 80.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 2.1200000000000001 109.838 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.97 -58.36 8.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.226 -0.921 . . . . 0.26000000000000001 110.253 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.26 -38.78 84.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 109.515 -179.518 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.63 -33.67 73.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 2.0899999999999999 108.874 179.248 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -64.68 -52.33 57.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.622 0.725 . . . . 0.75 109.087 179.801 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' D' ' 343' ' ' GLU . 31.0 ttmt -62.19 -46.96 86.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 2.1899999999999999 109.024 179.734 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.89 -30.63 66.01 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 1.3400000000000001 109.348 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.71999999999999997 109.569 -179.973 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.303 -0.629 . . . . 1.6699999999999999 109.303 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 21.2 m-85 -94.33 149.29 21.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.276 -0.89 . . . . 0.60999999999999999 109.783 -179.811 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.55 35.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 108.805 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -94.33 165.2 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.38 -0.825 . . . . 0.42999999999999999 109.209 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.23 13.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.34999999999999998 109.992 -179.099 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.89 126.96 33.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 1.3700000000000001 108.542 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.5 117.45 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.472 -0.768 . . . . 0.47999999999999998 110.044 -179.139 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.06 155.64 32.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.598 -0.689 . . . . 2.0800000000000001 109.675 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.37 136.93 2.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.442 -1.063 . . . . 0.40000000000000002 110.442 179.025 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.27 -42.22 14.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.385 -1.068 . . . . 2.6400000000000001 109.199 179.478 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.73 -46.75 88.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.816 -179.753 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' D' ' 337' ' ' ARG . 18.5 ttm-85 -63.96 -39.92 95.23 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.138 -0.977 . . . . 2.7400000000000002 109.741 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.16 -54.41 31.05 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.299 -0.876 . . . . 0.42999999999999999 109.338 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -53.51 -37.89 63.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.307 -0.87 . . . . 1.6899999999999999 109.783 -179.674 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.95 -49.84 70.99 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.319 -0.863 . . . . 0.42999999999999999 110.46 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.05 -43.15 95.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.026 -1.046 . . . . 0.27000000000000002 109.13 -179.56 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -50.62 -44.61 57.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.127 -0.983 . . . . 2.4500000000000002 109.473 179.955 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.468 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 tp10 -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.182 -0.949 . . . . 1.75 109.725 -179.935 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.96 -45.0 96.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.33 -0.856 . . . . 0.31 109.292 -179.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.64 -50.18 74.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 1.22 109.421 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.403 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 92.8 mt-10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.333 -0.854 . . . . 1.73 109.836 -179.718 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.84 -58.33 8.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 0.28000000000000003 110.25 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.3 -38.83 84.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.11 -0.994 . . . . 0.31 109.485 -179.49 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.65 73.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.052 -1.03 . . . . 1.9099999999999999 108.886 179.238 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' C' ' 350' ' ' LEU . 2.7 tt -64.76 -52.34 57.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.539 -0.726 . . . . 0.42999999999999999 109.054 179.794 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 31.1 ttmt -62.12 -47.01 86.51 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.384 -0.823 . . . . 1.5700000000000001 109.013 179.775 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.87 -30.62 65.98 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.583 -0.698 . . . . 1.4399999999999999 109.358 179.756 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.97 71.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.64000000000000001 109.52 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 1.21 109.323 179.828 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.234 0.54 . . . . 1.7 109.68 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -94.09 149.72 20.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.278 -0.889 . . . . 0.60999999999999999 108.988 179.61 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.43 -169.54 2.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.546 -179.633 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.21 150.9 31.14 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.271 -1.011 . . . . 0.41999999999999998 108.271 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -144.07 133.5 23.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.29 -0.881 . . . . 0.35999999999999999 109.859 -178.368 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.53 128.01 34.36 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.553 -0.906 . . . . 1.3700000000000001 108.553 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.7 mt -123.23 112.92 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.33 -0.856 . . . . 0.46999999999999997 109.082 -179.479 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 33.2 ttt-85 -74.45 153.61 39.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.537 -0.727 . . . . 2.1000000000000001 109.635 -179.788 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.71 130.04 1.17 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.949 -1.26 . . . . 0.41999999999999998 109.949 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.32 -43.6 32.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.398 -1.06 . . . . 2.6800000000000002 109.286 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.87 -44.93 82.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 108.936 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -64.01 -42.22 97.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.377 -0.827 . . . . 2.77 109.234 179.684 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.46 -55.78 25.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.611 -0.68 . . . . 0.42999999999999999 109.639 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.89 -40.42 60.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.722 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.18 -51.12 67.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.339 -0.851 . . . . 0.44 110.08 -179.434 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.2 -48.39 81.72 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.189 -0.944 . . . . 0.28999999999999998 109.086 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.13 -41.59 60.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 2.4399999999999999 109.547 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.07 -47.79 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.197 -0.939 . . . . 1.74 109.622 -179.639 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.9 -34.86 75.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.178 -0.951 . . . . 0.29999999999999999 108.636 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.1 -57.85 11.25 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.441 -0.787 . . . . 1.22 109.477 179.559 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.47 -34.78 78.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 1.72 110.118 -179.736 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.12 -56.38 22.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.27000000000000002 110.145 -179.21 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.93 -42.85 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.093 -1.004 . . . . 0.28999999999999998 109.513 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.99 -35.1 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 109.174 179.639 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.62 -48.63 74.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 0.40999999999999998 109.562 -179.882 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.04 -40.4 97.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.371 -0.831 . . . . 1.5600000000000001 108.864 179.553 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -56.28 -34.18 66.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.452 179.645 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.51 77.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.826 . . . . 0.66000000000000003 109.863 -179.908 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 1.1799999999999999 109.532 -179.782 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.231 0.539 . . . . 1.6100000000000001 109.716 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -93.97 149.84 20.88 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.265 -0.897 . . . . 0.56999999999999995 109.088 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.66 -169.58 2.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.323 -0.861 . . . . 0.53000000000000003 109.548 -179.605 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -151.31 150.6 30.72 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.25 -1.019 . . . . 0.38 108.25 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.8 tp -143.81 133.5 23.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.233 -0.917 . . . . 0.35999999999999999 109.883 -178.404 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -84.38 127.99 34.32 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.091 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.29 112.88 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.36 -0.838 . . . . 0.48999999999999999 109.066 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 33.9 ttt-85 -74.36 153.57 39.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.461 -0.774 . . . . 2.1000000000000001 109.713 -179.847 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.64 130.08 1.15 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.935 -1.266 . . . . 0.44 109.935 179.797 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.35 -43.59 32.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.42 -1.047 . . . . 2.7200000000000002 109.279 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.93 -44.82 82.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.264 -0.897 . . . . 2.21 108.934 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 2.79 109.238 179.67 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.42 -55.83 24.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.58 -0.7 . . . . 0.45000000000000001 109.631 -179.962 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.88 -40.44 60.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.75 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.2 -51.02 68.0 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.329 -0.857 . . . . 0.42999999999999999 110.155 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -48.41 81.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.191 -0.943 . . . . 0.28000000000000003 109.038 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -51.08 -41.73 60.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 2.52 109.568 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.94 -47.91 83.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.129 -0.982 . . . . 1.75 109.658 -179.688 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.83 -34.88 75.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.31 108.664 179.673 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.16 -57.73 11.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.39 -0.819 . . . . 1.21 109.439 179.599 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.66 -34.6 78.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 110.103 -179.673 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.18 -56.42 22.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.27000000000000002 110.122 -179.272 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.87 -42.68 98.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 109.61 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.14 -35.07 74.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.159 179.666 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.5 -48.72 74.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.378 -0.826 . . . . 0.40000000000000002 109.435 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.12 -40.36 97.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 1.5900000000000001 108.901 179.647 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -56.32 -34.14 66.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.385 179.637 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.3 -0.875 . . . . 0.65000000000000002 109.891 -179.86 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.225 0.536 . . . . 2.1099999999999999 109.653 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -94.05 149.65 21.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.256 -0.902 . . . . 0.64000000000000001 109.087 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.37 -169.46 2.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -0.878 . . . . 0.48999999999999999 109.524 -179.625 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.38 150.49 30.53 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.374 -0.973 . . . . 0.46999999999999997 108.374 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.7 tp -143.77 133.5 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.286 -0.884 . . . . 0.41999999999999998 109.919 -178.361 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -84.42 127.99 34.33 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.539 -0.912 . . . . 1.8100000000000001 108.539 179.179 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.28 113.1 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.38 -0.825 . . . . 0.41999999999999998 109.022 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' C' ' 333' ' ' ARG . 34.1 ttt-85 -74.64 153.71 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.532 -0.73 . . . . 2.3500000000000001 109.578 -179.773 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.68 130.03 1.16 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.929 -1.268 . . . . 0.40999999999999998 109.929 179.747 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.28 -43.6 32.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 2.5899999999999999 109.341 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.93 -44.67 82.69 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.241 -0.912 . . . . 2.54 108.98 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.284 -0.885 . . . . 3.3900000000000001 109.157 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.44 -55.83 24.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.567 -0.708 . . . . 0.46999999999999997 109.564 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.91 -40.47 60.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -0.849 . . . . 1.6599999999999999 109.718 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.191 -0.943 . . . . 0.60999999999999999 110.122 -179.497 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.24 -48.35 81.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.143 -0.973 . . . . 0.33000000000000002 109.039 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.13 -41.73 60.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 3.2799999999999998 109.555 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.97 -47.86 83.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 1.78 109.666 -179.654 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.83 -34.92 75.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.211 -0.931 . . . . 0.38 108.636 179.619 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.18 -57.74 11.69 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.476 -0.765 . . . . 1.2 109.484 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.65 -34.58 78.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.826 . . . . 2.1200000000000001 110.137 -179.754 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.13 -56.45 21.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.26000000000000001 110.178 -179.298 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.84 -42.88 98.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.095 -1.003 . . . . 0.40000000000000002 109.481 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.98 -35.09 74.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.162 179.682 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -48.66 74.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.898 . . . . 0.75 109.415 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.0 -40.53 98.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 2.1899999999999999 108.894 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.23 -34.15 66.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.574 -0.703 . . . . 1.3400000000000001 109.446 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.71999999999999997 109.781 -179.864 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.32 0.581 . . . . 1.6699999999999999 109.646 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -94.01 149.92 20.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.60999999999999999 109.034 179.535 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.74 -169.6 2.58 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.332 -0.855 . . . . 0.56000000000000005 109.54 -179.627 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.28 150.57 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.341 -0.985 . . . . 0.42999999999999999 108.341 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -143.82 133.53 23.74 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.34999999999999998 109.909 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.39 127.89 34.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.612 -0.885 . . . . 1.3700000000000001 108.612 179.139 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.2 mt -123.23 112.91 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -0.795 . . . . 0.47999999999999998 109.11 -179.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.422 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 33.1 ttt-85 -74.33 153.7 39.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.521 -0.737 . . . . 2.0800000000000001 109.758 -179.843 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 130.12 1.13 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.989 -1.245 . . . . 0.40000000000000002 109.989 179.831 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.39 -43.45 32.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.356 -1.085 . . . . 2.6400000000000001 109.333 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.9 -45.06 82.85 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.173 -0.954 . . . . 2.2200000000000002 108.914 179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.87 -42.26 97.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.419 -0.8 . . . . 2.7400000000000002 109.278 179.654 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -54.43 -55.83 24.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.608 -0.683 . . . . 0.42999999999999999 109.561 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.94 -40.43 60.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.368 -0.833 . . . . 1.6899999999999999 109.752 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.13 -51.06 67.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.42999999999999999 110.177 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.971 . . . . 0.27000000000000002 109.005 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.16 -41.64 60.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -0.848 . . . . 2.4500000000000002 109.498 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.02 -47.86 83.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 1.75 109.64 -179.667 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.78 -34.94 75.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 0.31 108.68 179.624 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.12 -57.69 11.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.5 -0.75 . . . . 1.22 109.509 179.547 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.58 -35.01 79.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.73 110.101 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -56.82 -56.44 21.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.925 . . . . 0.28000000000000003 110.226 -179.348 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.91 -42.82 98.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.31 109.54 -179.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.99 -35.14 74.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.93 . . . . 1.9099999999999999 109.17 179.629 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.59 -48.65 74.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.865 . . . . 0.42999999999999999 109.599 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.09 -40.33 97.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.5700000000000001 108.867 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.23 -34.28 66.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.512 -0.742 . . . . 1.4399999999999999 109.4 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.54 77.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 0.64000000000000001 109.824 -179.876 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 1.21 109.619 -179.827 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.305 0.574 . . . . 1.7 109.653 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 36.2 m-85 -96.37 152.81 18.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.319 -0.863 . . . . 0.60999999999999999 109.599 179.84 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.53 133.45 30.85 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.484 -0.932 . . . . 0.57999999999999996 108.484 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -92.82 165.17 13.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.403 -0.81 . . . . 0.41999999999999998 109.317 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.67 130.88 15.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.243 -0.911 . . . . 0.35999999999999999 109.659 -179.714 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.556 HE22 ' N ' ' A' ' 333' ' ' ARG . 3.4 tm0? -86.31 129.72 34.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.453 -0.779 . . . . 1.3700000000000001 109.432 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.544 ' C ' HE22 ' A' ' 331' ' ' GLN . 58.1 mt -124.21 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.572 -0.705 . . . . 0.46999999999999997 109.313 -179.854 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.556 ' N ' HE22 ' A' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.42 28.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 2.1000000000000001 109.521 179.886 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.7 136.55 5.98 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 110.099 -1.2 . . . . 0.41999999999999998 110.099 179.174 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.4 -50.26 12.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.39 -1.065 . . . . 2.6800000000000002 108.99 179.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.39 -39.61 76.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.2200000000000002 108.808 179.509 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.624 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.18 84.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.308 -0.87 . . . . 2.77 109.375 179.739 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.78 -58.01 9.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.672 -0.642 . . . . 0.42999999999999999 109.888 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.28 -39.69 46.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.354 -0.841 . . . . 1.6599999999999999 110.12 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.18 -54.61 30.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.064 -1.023 . . . . 0.44 110.427 -179.205 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.12 -46.33 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.013 -1.055 . . . . 0.28999999999999998 108.962 -179.684 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.47 -42.19 54.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.236 -0.915 . . . . 2.4399999999999999 109.327 179.787 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -60.08 -54.12 49.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 1.74 109.943 -179.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.04 -39.39 85.75 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.148 -0.97 . . . . 0.29999999999999999 108.691 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.412 ' O ' ' CD ' ' A' ' 349' ' ' GLU . 21.0 t-20 -58.35 -57.08 14.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.36 -0.838 . . . . 1.22 109.37 179.572 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.04 -33.88 71.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 1.72 109.826 -179.7 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.39 -48.04 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.27000000000000002 109.727 -179.846 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -50.14 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.371 -0.83 . . . . 0.28999999999999998 109.857 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 345' ' ' ASN . 3.3 mp0 -58.03 -33.19 68.72 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.124 -0.985 . . . . 1.9099999999999999 109.434 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.91 -52.92 53.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.40999999999999998 109.075 179.825 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.8 -45.4 94.02 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.37 -0.831 . . . . 1.5600000000000001 108.948 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.38 179.645 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -27.94 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 0.66000000000000003 109.281 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 1.1799999999999999 109.415 179.857 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.256 0.55 . . . . 1.6100000000000001 109.624 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 36.6 m-85 -96.43 152.8 18.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.34 -0.85 . . . . 0.56999999999999995 109.586 179.754 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.49 133.41 30.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.277 -0.889 . . . . 0.53000000000000003 108.608 178.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -92.78 165.16 13.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.38 109.315 -179.85 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.69 130.82 15.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.35999999999999999 109.668 -179.721 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.565 HE22 ' N ' ' B' ' 333' ' ' ARG . 3.4 tm0? -86.2 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.506 179.896 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.543 ' C ' HE22 ' B' ' 331' ' ' GLN . 57.8 mt -124.24 107.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.601 -0.687 . . . . 0.48999999999999999 109.379 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.565 ' N ' HE22 ' B' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.36 28.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 2.1000000000000001 109.522 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.74 136.4 5.94 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 110.068 -1.213 . . . . 0.44 110.068 179.181 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.35 -50.22 12.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -1.051 . . . . 2.7200000000000002 108.992 179.631 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.45 -39.57 76.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.128 -0.983 . . . . 2.21 108.811 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.4 -41.27 84.52 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.298 -0.876 . . . . 2.79 109.383 179.671 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.78 -58.04 9.83 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.619 -0.675 . . . . 0.45000000000000001 109.829 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.26 -39.77 45.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 1.6799999999999999 110.06 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.2 -54.55 31.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.086 -1.008 . . . . 0.42999999999999999 110.413 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.04 -46.36 91.02 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.117 -0.989 . . . . 0.28000000000000003 108.976 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.46 -42.22 54.04 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.277 -0.889 . . . . 2.52 109.341 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.0 -54.26 48.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 1.75 109.905 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.96 -39.43 85.58 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.205 -0.934 . . . . 0.31 108.707 179.884 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.41 ' O ' ' CD ' ' B' ' 349' ' ' GLU . 20.9 t-20 -58.39 -56.97 15.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.322 -0.861 . . . . 1.21 109.373 179.57 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.18 -33.79 71.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 109.716 -179.703 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.52 -48.0 83.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 109.702 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.35 -49.92 73.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.29999999999999999 109.896 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 345' ' ' ASN . 3.3 mp0 -58.15 -33.24 68.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.133 -0.979 . . . . 1.9299999999999999 109.381 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.84 -53.07 52.48 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.183 -0.948 . . . . 0.40000000000000002 109.023 179.8 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.66 -45.4 94.19 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.351 -0.843 . . . . 1.5900000000000001 109.007 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.87 -35.75 66.85 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.325 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.65000000000000002 109.328 179.964 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.388 0.613 . . . . 2.1099999999999999 109.688 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 36.2 m-85 -96.47 152.71 18.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 109.63 179.841 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.39 133.32 30.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.925 . . . . 0.48999999999999999 108.592 179.021 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.3 p -92.65 165.01 13.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.408 -0.808 . . . . 0.46999999999999997 109.385 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.6 130.95 15.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.363 -0.836 . . . . 0.41999999999999998 109.65 -179.766 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.561 HE22 ' N ' ' C' ' 333' ' ' ARG . 3.4 tm0? -86.33 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.745 . . . . 1.8100000000000001 109.446 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.53 ' C ' HE22 ' C' ' 331' ' ' GLN . 57.8 mt -124.31 107.52 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 121.572 -0.705 . . . . 0.41999999999999998 109.31 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.561 ' N ' HE22 ' C' ' 331' ' ' GLN . 0.3 OUTLIER -74.97 125.47 28.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.811 . . . . 2.3500000000000001 109.461 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.45 5.99 Favored Glycine 0 N--CA 1.501 3.019 0 N-CA-C 110.104 -1.198 . . . . 0.40999999999999998 110.104 179.167 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.18 12.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.497 -1.002 . . . . 2.5899999999999999 109.037 179.675 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' C' ' 336' ' ' GLU . 1.5 mp0 -57.47 -39.64 76.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 2.54 108.749 179.516 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.623 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.37 -41.31 84.46 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.211 -0.931 . . . . 3.3900000000000001 109.374 179.733 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -56.65 -58.05 9.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.645 -0.659 . . . . 0.46999999999999997 109.902 -179.801 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.32 -39.73 46.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.989 -179.474 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.16 -54.61 31.07 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.134 -0.979 . . . . 0.60999999999999999 110.387 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.13 -46.38 90.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.03 -1.044 . . . . 0.33000000000000002 108.907 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.32 -42.26 52.42 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.283 -0.886 . . . . 3.2799999999999998 109.347 179.73 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -60.02 -54.24 48.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 1.78 109.838 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.191 -0.943 . . . . 0.38 108.752 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.402 ' O ' ' CD ' ' C' ' 349' ' ' GLU . 21.0 t-20 -58.4 -57.0 14.83 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 1.2 109.386 179.474 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.13 -33.79 71.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.1200000000000001 109.77 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.64 -47.83 84.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.26000000000000001 109.671 -179.724 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.42 -49.9 73.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.40000000000000002 109.92 -179.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' C' ' 345' ' ' ASN . 3.3 mp0 -58.16 -33.23 68.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.098 -1.001 . . . . 2.0899999999999999 109.408 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.91 -53.01 53.27 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.12 -0.988 . . . . 0.75 109.026 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.77 -45.3 94.47 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.425 -0.797 . . . . 2.1899999999999999 108.995 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.85 -35.8 66.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.578 -0.702 . . . . 1.3400000000000001 109.337 179.636 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 0.71999999999999997 109.3 179.988 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.331 0.586 . . . . 1.6699999999999999 109.696 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 36.8 m-85 -96.49 152.7 18.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.613 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.43 133.37 30.9 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.57 -0.9 . . . . 0.56000000000000005 108.57 178.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.5 p -92.72 165.1 13.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.433 -0.792 . . . . 0.42999999999999999 109.294 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.59 130.9 15.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.34999999999999998 109.62 -179.681 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.56 HE22 ' N ' ' D' ' 333' ' ' ARG . 3.4 tm0? -86.39 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.3700000000000001 109.43 179.883 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.528 ' C ' HE22 ' D' ' 331' ' ' GLN . 57.7 mt -124.24 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.542 -0.724 . . . . 0.47999999999999998 109.333 -179.863 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.56 ' N ' HE22 ' D' ' 331' ' ' GLN . 0.3 OUTLIER -74.86 125.39 28.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 2.0800000000000001 109.531 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.55 136.5 6.0 Favored Glycine 0 N--CA 1.501 3.023 0 N-CA-C 110.121 -1.191 . . . . 0.40000000000000002 110.121 179.166 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.3 12.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -1.05 . . . . 2.6400000000000001 108.969 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.39 -39.61 76.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.798 179.556 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.621 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.15 84.5 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.189 -0.944 . . . . 2.7400000000000002 109.412 179.69 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -56.83 -58.03 9.88 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.695 -0.628 . . . . 0.42999999999999999 109.818 -179.785 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.3 -39.68 46.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 110.037 -179.493 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.5 ttp -64.24 -54.49 32.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.047 -1.033 . . . . 0.42999999999999999 110.443 -179.196 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.25 -46.17 91.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.097 -1.002 . . . . 0.27000000000000002 108.955 -179.691 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.54 -42.14 54.89 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.353 -0.842 . . . . 2.4500000000000002 109.33 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.16 -54.11 49.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.935 . . . . 1.75 109.885 -179.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.07 -39.42 85.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.191 -0.943 . . . . 0.31 108.688 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.401 ' O ' ' CD ' ' D' ' 349' ' ' GLU . 20.9 t-20 -58.37 -56.99 14.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.292 -0.88 . . . . 1.22 109.314 179.6 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.26 -33.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 1.73 109.8 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.58 -47.91 83.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.179 -0.95 . . . . 0.28000000000000003 109.686 -179.798 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.38 -49.96 73.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.45 -0.782 . . . . 0.31 109.882 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' D' ' 345' ' ' ASN . 3.3 mp0 -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.093 -1.005 . . . . 1.9099999999999999 109.374 -179.625 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.86 -52.99 53.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 109.076 179.843 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.78 -45.27 94.62 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.847 . . . . 1.5700000000000001 109.029 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -55.98 -35.74 67.08 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.49 -0.756 . . . . 1.4399999999999999 109.36 179.674 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.88 67.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 109.265 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.21 109.454 179.798 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.38 -0.6 . . . . 1.7 109.38 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.66 153.5 18.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.60999999999999999 109.297 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -139.63 -171.86 3.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.249 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -152.27 149.41 28.66 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.41999999999999998 108.927 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.67 132.66 24.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.327 -0.858 . . . . 0.35999999999999999 109.736 -178.844 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -85.47 128.36 34.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -124.12 118.36 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.54 -0.725 . . . . 0.46999999999999997 109.492 -179.773 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.1 149.77 37.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.496 -0.753 . . . . 2.1000000000000001 109.735 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 137.24 6.08 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.568 -1.013 . . . . 0.41999999999999998 110.568 179.049 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.23 -54.45 5.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.446 -1.032 . . . . 2.6800000000000002 109.227 179.548 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.72 -40.74 80.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.188 -0.945 . . . . 2.2200000000000002 108.591 179.586 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -62.63 -44.76 95.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.357 -0.979 . . . . 2.77 108.357 179.248 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.23 -55.26 37.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.679 -0.638 . . . . 0.42999999999999999 109.374 179.407 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.2 -35.19 25.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 1.6599999999999999 109.893 -179.556 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.62 -52.29 63.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.087 -1.008 . . . . 0.44 109.804 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.54 -46.36 90.44 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.27 -0.894 . . . . 0.28999999999999998 109.36 -179.922 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.23 -43.77 53.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.942 . . . . 2.4399999999999999 109.214 179.717 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.8 -42.8 98.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.199 -0.938 . . . . 1.74 109.398 179.677 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.47 -48.26 80.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.268 -0.895 . . . . 0.29999999999999999 109.202 179.78 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -57.56 -46.82 83.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.22 109.097 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.24 -40.01 92.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 1.72 109.041 179.664 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.67 -53.63 56.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.459 -0.776 . . . . 0.27000000000000002 109.511 -179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.81 -43.52 98.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.361 -0.837 . . . . 0.28999999999999998 109.144 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.12 -35.52 75.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.24 -0.913 . . . . 1.9099999999999999 109.314 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.88 -50.23 69.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 0.40999999999999998 109.411 -179.824 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.83 -46.91 85.73 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 1.5600000000000001 109.04 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.98 66.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.544 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -46.13 74.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -0.914 . . . . 0.66000000000000003 109.758 -179.75 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.1799999999999999 109.754 -179.721 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.431 -0.581 . . . . 1.6100000000000001 109.431 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.6 153.49 18.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.56999999999999995 109.302 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -139.72 -171.83 3.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.316 -0.865 . . . . 0.53000000000000003 109.265 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.3 149.56 28.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.967 . . . . 0.38 108.868 -179.956 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.78 132.53 23.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.308 -0.87 . . . . 0.35999999999999999 109.708 -178.757 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.37 128.34 34.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.84 -0.8 . . . . 1.3600000000000001 108.84 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.17 118.15 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.458 -0.776 . . . . 0.48999999999999999 109.562 -179.737 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.89 149.67 37.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.513 -0.742 . . . . 2.1000000000000001 109.861 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 137.37 6.19 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.538 -1.025 . . . . 0.44 110.538 179.048 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.3 -54.42 5.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.388 -1.066 . . . . 2.7200000000000002 109.318 179.426 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.71 -40.78 80.35 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.039 -1.038 . . . . 2.21 108.663 179.497 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.326 -0.99 . . . . 2.79 108.326 179.211 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.25 -55.3 36.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.646 -0.659 . . . . 0.45000000000000001 109.38 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -50.25 -35.13 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.409 -0.807 . . . . 1.6799999999999999 109.84 -179.453 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.64 -52.37 63.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.221 -0.924 . . . . 0.42999999999999999 109.757 -179.615 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.228 -0.92 . . . . 0.28000000000000003 109.365 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.31 -43.74 53.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 2.52 109.149 179.761 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.76 -42.81 98.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.324 -0.86 . . . . 1.75 109.376 179.691 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.54 -48.21 80.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.31 109.166 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.64 -46.77 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.141 -0.974 . . . . 1.21 109.007 179.683 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.27 -39.92 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 1.6899999999999999 109.057 179.708 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -53.64 56.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.403 -0.811 . . . . 0.27000000000000002 109.462 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.7 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.883 . . . . 0.29999999999999999 109.15 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.99 -35.58 75.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 1.9299999999999999 109.354 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.89 -50.27 69.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.40000000000000002 109.336 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.85 -46.83 86.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 1.5900000000000001 109.043 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.51 -31.92 66.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.438 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.65000000000000002 109.676 -179.635 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.389 -0.597 . . . . 2.1099999999999999 109.389 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -92.62 153.54 18.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 0.64000000000000001 109.329 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.67 -171.86 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 0.48999999999999999 109.262 -179.832 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.23 149.64 28.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.88 . . . . 0.46999999999999997 108.857 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.81 132.52 23.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 0.41999999999999998 109.729 -178.822 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -85.34 128.35 34.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 1.8100000000000001 108.914 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.7 mt -124.16 118.28 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.408 -0.808 . . . . 0.41999999999999998 109.511 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.04 149.71 37.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 2.3500000000000001 109.765 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 137.41 6.21 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.481 -1.047 . . . . 0.40999999999999998 110.481 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.31 -54.52 4.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.341 -1.094 . . . . 2.5899999999999999 109.26 179.44 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.64 -40.84 80.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.102 -0.999 . . . . 2.54 108.634 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.358 -0.979 . . . . 3.3900000000000001 108.358 179.252 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.31 -55.31 36.44 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.384 0.612 . . . . 0.46999999999999997 109.382 179.359 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -50.2 -35.19 25.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.821 . . . . 1.6599999999999999 109.882 -179.494 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.67 -52.25 64.05 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.168 -0.958 . . . . 0.60999999999999999 109.785 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.64 -46.25 91.01 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.25 -0.906 . . . . 0.33000000000000002 109.293 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.33 -43.73 54.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 3.2799999999999998 109.123 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.92 -42.69 98.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.316 -0.865 . . . . 1.78 109.372 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.46 -48.34 80.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.237 -0.914 . . . . 0.38 109.16 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.57 -46.84 83.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -0.972 . . . . 1.2 109.017 179.741 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.047 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -53.69 55.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.459 -0.776 . . . . 0.26000000000000001 109.476 -179.932 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.7 -43.7 98.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.327 -0.858 . . . . 0.40000000000000002 109.167 179.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.81 -35.68 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 2.0899999999999999 109.311 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.444 HD11 HE22 ' D' ' 354' ' ' GLN . 31.6 tp -63.82 -50.18 69.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.75 109.423 -179.794 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.81 -47.0 85.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.397 -0.815 . . . . 2.1899999999999999 108.987 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.43 -31.93 66.38 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.568 -0.708 . . . . 1.3400000000000001 109.49 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.71999999999999997 109.715 -179.653 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.301 0.572 . . . . 1.6699999999999999 109.473 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.55 153.55 18.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.60999999999999999 109.393 179.792 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.72 -171.85 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.56000000000000005 109.195 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -152.32 149.45 28.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.232 -0.917 . . . . 0.42999999999999999 108.897 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.66 132.59 24.28 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.343 -0.848 . . . . 0.34999999999999998 109.792 -178.799 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.4 128.38 34.7 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.368 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.21 118.19 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.499 -0.75 . . . . 0.47999999999999998 109.488 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.88 149.73 37.73 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.509 -0.744 . . . . 2.0800000000000001 109.815 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 137.4 6.14 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.486 -1.045 . . . . 0.40000000000000002 110.486 178.994 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.29 -54.52 4.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.441 -1.035 . . . . 2.6400000000000001 109.273 179.468 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.62 -40.83 80.07 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.051 -1.031 . . . . 2.2200000000000002 108.631 179.478 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.64 95.78 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.401 -0.963 . . . . 2.7400000000000002 108.401 179.223 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -57.32 -55.23 37.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.655 -0.653 . . . . 0.42999999999999999 109.398 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.25 -35.05 25.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 1.6899999999999999 109.905 -179.552 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.82 -52.27 63.8 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.42999999999999999 109.726 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.56 -46.32 90.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.171 -0.956 . . . . 0.27000000000000002 109.365 -179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.3 -43.7 53.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 2.4500000000000002 109.177 179.769 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.83 -42.76 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 1.75 109.342 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.52 -48.18 80.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.31 109.231 179.768 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.63 -46.9 83.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.116 -0.99 . . . . 1.22 108.967 179.675 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.23 -39.97 92.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 1.73 109.042 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -53.63 56.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 0.28000000000000003 109.518 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.62 -43.76 98.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.31 109.125 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.99 -35.58 75.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 1.9099999999999999 109.338 179.906 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.8 -50.26 69.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 0.42999999999999999 109.375 -179.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.92 -46.92 85.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 1.5700000000000001 109.033 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.88 66.32 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.632 -0.667 . . . . 1.4399999999999999 109.497 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -46.14 73.85 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.64000000000000001 109.746 -179.71 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.444 HE22 HD11 ' C' ' 350' ' ' LEU . 27.4 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.176 -0.953 . . . . 1.21 109.692 -179.722 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.213 0.53 . . . . 1.7 109.63 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -94.0 162.08 14.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.257 -0.902 . . . . 0.60999999999999999 109.619 179.875 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.19 -171.73 3.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.275 -0.89 . . . . 0.57999999999999996 109.347 179.699 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.64 144.51 24.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.205 -0.934 . . . . 0.41999999999999998 109.08 -179.751 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.71 136.69 37.6 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.483 -0.761 . . . . 0.35999999999999999 110.158 -178.702 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' C' ' 327' ' ' TYR . 56.8 tt0 -86.04 130.74 34.44 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.906 -0.775 . . . . 1.3700000000000001 108.906 179.155 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.45 117.39 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.491 -0.755 . . . . 0.46999999999999997 109.247 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.33 151.5 39.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.578 -0.702 . . . . 2.1000000000000001 109.746 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.44 135.27 3.03 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.434 -1.067 . . . . 0.41999999999999998 110.434 179.094 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.91 -50.55 10.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.482 -1.011 . . . . 2.6800000000000002 109.288 179.612 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.76 -35.42 72.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.774 179.873 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.525 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 10.0 tpp180 -65.4 -41.46 93.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.277 -0.889 . . . . 2.77 109.004 179.581 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -55.37 -53.02 61.41 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.501 -0.749 . . . . 0.42999999999999999 109.941 -179.918 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.36 55.71 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.005 -179.55 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.32 -51.85 64.3 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.243 -0.911 . . . . 0.44 110.317 -179.3 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.94 -47.12 87.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.255 -0.903 . . . . 0.28999999999999998 109.289 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.39 -43.75 54.66 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.22 -0.925 . . . . 2.4399999999999999 109.34 179.835 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.29 93.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.213 -0.929 . . . . 1.74 109.524 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.46 -47.61 83.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 0.29999999999999999 109.233 179.857 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.29 -47.51 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.193 -0.942 . . . . 1.22 109.476 179.827 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.15 -36.61 80.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.822 . . . . 1.72 109.395 -179.947 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -46.67 88.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.27000000000000002 109.201 179.88 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.495 HD22 ' NH1' ' C' ' 337' ' ' ARG . 44.0 mt -62.58 -48.22 80.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.485 -0.759 . . . . 0.28999999999999998 109.463 179.758 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.64 -34.59 72.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 1.9099999999999999 109.431 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.63 -49.07 72.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.401 -0.812 . . . . 0.40999999999999998 109.339 -179.779 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.285 -0.884 . . . . 1.5600000000000001 108.916 179.495 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.37 -33.06 69.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.557 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -45.36 77.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.66000000000000003 109.658 -179.667 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.874 . . . . 1.1799999999999999 109.546 -179.877 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' D' ' 335' ' ' ARG . 48.5 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.3 0.571 . . . . 1.6100000000000001 109.602 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.99 162.12 14.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.223 -0.923 . . . . 0.56999999999999995 109.583 179.873 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.12 -171.71 3.25 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.328 -0.857 . . . . 0.53000000000000003 109.414 179.711 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.81 144.36 24.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.151 -0.968 . . . . 0.38 109.133 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 63.8 tp -137.5 136.85 38.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.4 -0.812 . . . . 0.35999999999999999 110.251 -178.666 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.21 130.66 34.45 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.934 -0.765 . . . . 1.3600000000000001 108.934 179.172 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.32 117.46 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.459 -0.775 . . . . 0.48999999999999999 109.244 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.5 151.53 39.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.526 -0.734 . . . . 2.1000000000000001 109.704 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.51 135.28 3.07 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.385 -1.086 . . . . 0.44 110.385 179.072 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -79.98 -50.52 10.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.442 -1.034 . . . . 2.7200000000000002 109.331 179.556 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.79 -35.3 72.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 2.21 108.834 179.857 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.537 ' H ' ' CD ' ' B' ' 336' ' ' GLU . 10.0 tpp180 -65.42 -41.51 93.48 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.263 -0.898 . . . . 2.79 108.985 179.52 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.27 -53.14 59.89 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.498 -0.752 . . . . 0.45000000000000001 109.902 -179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.37 55.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 1.6799999999999999 109.989 -179.436 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 110.367 -179.325 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.02 -47.14 87.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.103 -0.998 . . . . 0.28000000000000003 109.295 -179.797 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.42 -43.69 54.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.287 -0.883 . . . . 2.52 109.348 179.836 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.35 -45.26 94.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.75 109.597 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.48 -47.55 83.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.31 109.234 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -58.39 -47.39 84.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.161 -0.962 . . . . 1.21 109.432 179.876 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.24 -36.6 80.41 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.339 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.04 -46.71 88.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.27000000000000002 109.159 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.469 HD22 ' NH1' ' D' ' 337' ' ' ARG . 44.4 mt -62.56 -48.36 79.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.486 -0.759 . . . . 0.29999999999999999 109.445 179.801 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.54 -34.48 72.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.327 -0.858 . . . . 1.9299999999999999 109.53 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.5 tp -64.62 -49.14 72.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.284 -0.885 . . . . 0.40000000000000002 109.368 -179.902 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -47.99 77.19 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.363 -0.836 . . . . 1.5900000000000001 108.919 179.464 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.27 -33.17 69.11 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.671 -0.643 . . . . 1.4299999999999999 109.617 179.757 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.757 -179.697 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.217 0.532 . . . . 2.1099999999999999 109.628 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.414 ' HB3' HE21 ' A' ' 331' ' ' GLN . 76.2 m-85 -93.89 162.06 14.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.289 -0.882 . . . . 0.64000000000000001 109.685 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -140.14 -171.66 3.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.291 -0.881 . . . . 0.48999999999999999 109.336 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.7 144.49 24.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.14 -0.975 . . . . 0.46999999999999997 109.025 -179.778 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -137.64 136.86 37.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.427 -0.796 . . . . 0.41999999999999998 110.115 -178.71 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.23 130.71 34.43 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.896 -0.779 . . . . 1.8100000000000001 108.896 179.163 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.37 117.4 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.41999999999999998 109.225 -179.935 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -74.4 151.59 39.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.639 -0.663 . . . . 2.3500000000000001 109.669 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.41 135.26 3.02 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.471 -1.051 . . . . 0.40999999999999998 110.471 179.103 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -79.95 -50.44 10.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.068 . . . . 2.5899999999999999 109.368 179.522 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.85 -35.3 72.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 2.54 108.799 179.846 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.534 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 tpp180 -65.47 -41.5 93.28 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.217 -0.927 . . . . 3.3900000000000001 108.929 179.599 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.33 -53.05 61.07 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.568 -0.707 . . . . 0.46999999999999997 109.957 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.34 -37.27 55.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.6599999999999999 110.043 -179.533 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.2 ttp -63.54 -51.74 64.15 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.204 -0.935 . . . . 0.60999999999999999 110.289 -179.257 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -60.84 -47.19 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.94 . . . . 0.33000000000000002 109.36 -179.857 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.35 -43.82 54.25 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.178 -0.951 . . . . 3.2799999999999998 109.317 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.3 -45.23 94.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.265 -0.897 . . . . 1.78 109.61 179.936 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.45 -47.65 83.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.38 109.166 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.26 -47.55 83.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.136 -0.978 . . . . 1.2 109.411 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.5 80.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.209 -0.932 . . . . 2.1200000000000001 109.409 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -46.77 88.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.23 -0.919 . . . . 0.26000000000000001 109.174 179.823 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' A' ' 337' ' ' ARG . 44.2 mt -62.48 -48.25 80.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.459 -0.776 . . . . 0.40000000000000002 109.561 179.748 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.62 -34.57 72.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.458 179.925 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.5 -49.24 72.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.75 109.354 -179.898 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.345 -0.847 . . . . 2.1899999999999999 108.938 179.539 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.32 -33.09 69.11 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.547 -0.721 . . . . 1.3400000000000001 109.574 179.764 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.387 -0.82 . . . . 0.71999999999999997 109.708 -179.697 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.257 0.551 . . . . 1.6699999999999999 109.617 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -93.99 162.11 14.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.225 -0.922 . . . . 0.60999999999999999 109.551 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.1 -171.64 3.23 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.38 -0.825 . . . . 0.56000000000000005 109.408 179.69 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -151.84 144.43 24.22 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.209 -0.932 . . . . 0.42999999999999999 109.045 -179.83 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.58 136.82 37.92 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.395 -0.816 . . . . 0.34999999999999998 110.191 -178.649 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.17 130.75 34.42 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.931 -0.766 . . . . 1.3700000000000001 108.931 179.124 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.47 117.4 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.493 -0.755 . . . . 0.47999999999999998 109.194 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -74.43 151.56 39.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.568 -0.707 . . . . 2.0800000000000001 109.732 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.49 135.39 3.09 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.396 -1.081 . . . . 0.40000000000000002 110.396 179.06 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' B' ' 326' ' ' GLU . 41.3 ttm180 -80.06 -50.52 10.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -1.008 . . . . 2.6400000000000001 109.289 179.603 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.88 -35.32 72.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.15 -0.969 . . . . 2.2200000000000002 108.787 179.879 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 10.0 tpp180 -65.34 -41.56 93.81 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.7400000000000002 109.058 179.464 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -55.33 -53.04 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.558 -0.714 . . . . 0.42999999999999999 109.95 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.38 -37.36 56.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.434 -0.791 . . . . 1.6899999999999999 109.974 -179.481 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -51.71 64.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.141 -0.974 . . . . 0.42999999999999999 110.385 -179.324 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.96 -47.15 87.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -0.977 . . . . 0.27000000000000002 109.27 -179.825 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.41 -43.72 54.87 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 2.4500000000000002 109.283 179.86 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.35 93.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 1.75 109.483 -179.999 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.33 -47.72 83.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.31 109.238 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.36 -47.37 84.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.195 -0.941 . . . . 1.22 109.476 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.52 80.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 1.73 109.448 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.05 -46.65 88.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.28000000000000003 109.227 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' B' ' 337' ' ' ARG . 44.8 mt -62.64 -48.2 80.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.463 -0.773 . . . . 0.31 109.439 179.815 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.68 -34.54 73.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.447 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.56 -49.17 72.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.42999999999999999 109.34 -179.883 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.32 -48.09 76.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.337 -0.852 . . . . 1.5700000000000001 108.884 179.542 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.2 -33.13 68.94 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.568 -0.708 . . . . 1.4399999999999999 109.589 179.802 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.38 77.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.28 -0.888 . . . . 0.64000000000000001 109.681 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 1.21 109.559 -179.893 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.218 0.533 . . . . 1.7 109.693 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -98.76 153.47 18.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.317 -0.864 . . . . 0.60999999999999999 110.376 -179.864 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.96 135.37 34.28 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.309 -0.997 . . . . 0.57999999999999996 108.309 178.491 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 60.7 p -96.92 158.82 15.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.311 -0.868 . . . . 0.41999999999999998 109.705 -179.392 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.19 132.99 17.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.913 . . . . 0.35999999999999999 109.96 -179.253 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.48 34.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 1.3700000000000001 108.904 179.288 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.88 113.07 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.602 -0.686 . . . . 0.46999999999999997 109.445 -179.688 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.5 153.28 37.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.435 -0.791 . . . . 2.1000000000000001 109.803 179.423 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 134.98 4.79 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.265 -1.134 . . . . 0.41999999999999998 110.265 179.292 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 335' ' ' ARG . 19.5 ttt-85 -77.14 -50.67 12.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.365 -1.079 . . . . 2.6800000000000002 109.208 179.555 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.11 -38.02 72.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.2200000000000002 109.095 179.804 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.598 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.359 -0.838 . . . . 2.77 109.656 179.788 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -54.81 -57.17 12.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.549 -0.719 . . . . 0.42999999999999999 109.996 -179.533 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.75 -39.49 52.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 109.896 -179.616 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.55 -53.99 39.29 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.215 -0.928 . . . . 0.44 110.552 -179.149 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.14 -45.07 95.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.973 -1.079 . . . . 0.28999999999999998 109.004 -179.691 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.32 59.15 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.279 -0.888 . . . . 2.4399999999999999 109.42 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.6 -52.87 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.74 109.832 -179.86 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.55 -36.59 78.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.29999999999999999 108.717 179.791 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.1 -56.24 24.78 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.509 -0.744 . . . . 1.22 109.342 179.591 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.95 -31.83 73.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -0.779 . . . . 1.72 109.621 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.17 -57.37 13.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.27000000000000002 110.223 -179.462 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.77 -44.35 96.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.28999999999999998 109.395 -179.723 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.93 -36.08 71.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 108.885 179.729 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.48 -45.01 89.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.785 -0.821 . . . . 0.40999999999999998 108.785 179.678 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.969 0.89 . . . . 1.5600000000000001 108.792 179.196 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -52.38 -40.98 62.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.397 -0.594 . . . . 1.4299999999999999 109.397 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.35 83.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.285 -0.885 . . . . 0.66000000000000003 109.191 179.637 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.592 ' NE2' HD21 ' B' ' 350' ' ' LEU . 6.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.361 -0.837 . . . . 1.1799999999999999 109.564 179.929 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.159 0.504 . . . . 1.6100000000000001 109.709 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.9 m-85 -98.76 153.48 18.71 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.295 -0.878 . . . . 0.56999999999999995 110.333 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.02 135.43 34.23 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.271 -1.011 . . . . 0.53000000000000003 108.271 178.494 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -96.97 158.75 15.28 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.38 109.7 -179.382 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.25 133.09 18.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.35999999999999999 109.968 -179.309 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.85 130.47 34.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.864 179.361 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -123.93 113.01 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.545 -0.722 . . . . 0.48999999999999999 109.422 -179.709 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.33 153.3 37.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.437 -0.789 . . . . 2.1000000000000001 109.762 179.37 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.0 135.14 4.8 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.222 -1.151 . . . . 0.44 110.222 179.237 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.449 ' HG2' HH11 ' B' ' 335' ' ' ARG . 19.4 ttt-85 -77.24 -50.73 12.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -1.063 . . . . 2.7200000000000002 109.169 179.536 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.1 -38.01 72.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 2.21 109.086 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.611 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.47 -43.33 79.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.299 -0.875 . . . . 2.79 109.612 179.829 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.76 -57.23 12.36 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.466 -0.771 . . . . 0.45000000000000001 109.965 -179.484 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.68 -39.57 51.4 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.4 -0.812 . . . . 1.6799999999999999 109.889 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.53 -54.02 38.79 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.204 -0.935 . . . . 0.42999999999999999 110.491 -179.074 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.15 -44.99 95.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.957 -1.089 . . . . 0.28000000000000003 108.997 -179.628 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.43 59.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.286 -0.884 . . . . 2.52 109.412 179.684 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -60.57 -52.86 63.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.75 109.815 -179.789 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.57 -36.5 78.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.101 -0.999 . . . . 0.31 108.756 179.807 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.19 -56.23 24.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.454 -0.779 . . . . 1.21 109.308 179.596 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.86 -31.9 73.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 1.6899999999999999 109.655 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.24 -57.29 13.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.27000000000000002 110.198 -179.388 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.84 -44.29 97.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.29999999999999999 109.413 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.97 -35.97 71.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -0.927 . . . . 1.9299999999999999 108.924 179.721 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.592 HD21 ' NE2' ' A' ' 354' ' ' GLN . 4.6 tp -64.51 -45.04 88.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.392 -0.817 . . . . 0.40000000000000002 108.824 179.619 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.89 -46.61 87.02 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.733 -0.839 . . . . 1.5900000000000001 108.733 179.195 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -52.52 -40.84 62.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.411 -0.588 . . . . 1.4299999999999999 109.411 -179.871 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.65000000000000002 109.148 179.646 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.71 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.0 m-85 -98.8 153.48 18.73 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.252 -0.905 . . . . 0.64000000000000001 110.312 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.92 135.51 34.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.276 -1.009 . . . . 0.48999999999999999 108.276 178.488 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.0 158.97 15.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.188 -0.945 . . . . 0.46999999999999997 109.649 -179.396 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -148.4 132.99 17.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 0.41999999999999998 109.936 -179.261 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.62 34.5 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.878 -0.786 . . . . 1.8100000000000001 108.878 179.274 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.03 113.08 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.572 -0.705 . . . . 0.41999999999999998 109.395 -179.672 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.44 153.37 37.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.482 -0.761 . . . . 2.3500000000000001 109.802 179.387 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.87 135.15 4.74 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.353 -1.099 . . . . 0.40999999999999998 110.353 179.349 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' C' ' 335' ' ' ARG . 19.5 ttt-85 -77.27 -50.7 12.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -1.046 . . . . 2.5899999999999999 109.168 179.606 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.1 72.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.372 -0.83 . . . . 2.54 109.056 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.605 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.49 -43.23 79.48 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.399 -0.813 . . . . 3.3900000000000001 109.658 179.833 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.8 -57.19 12.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.5 -0.75 . . . . 0.46999999999999997 109.967 -179.575 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.73 -39.51 52.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.3 -0.875 . . . . 1.6599999999999999 109.905 -179.62 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.56 -54.01 38.84 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.216 -0.928 . . . . 0.60999999999999999 110.516 -179.105 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -62.16 -44.99 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.033 -1.042 . . . . 0.33000000000000002 109.0 -179.609 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -50.89 -43.36 59.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 3.2799999999999998 109.365 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.63 -52.86 63.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.88 . . . . 1.78 109.813 -179.796 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.57 -36.47 78.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.38 108.747 179.786 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.24 -56.17 25.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.536 -0.727 . . . . 1.2 109.341 179.593 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.89 -31.89 73.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 2.1200000000000001 109.666 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.21 -57.3 13.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.26000000000000001 110.187 -179.459 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.78 -44.37 96.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 0.40000000000000002 109.395 -179.746 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.96 -35.98 71.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.971 179.751 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.527 HD21 ' NE2' ' D' ' 354' ' ' GLN . 4.6 tp -64.45 -45.0 89.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.34 -0.85 . . . . 0.75 108.816 179.59 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.0 -46.68 86.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.741 -0.837 . . . . 2.1899999999999999 108.741 179.22 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -52.31 -40.91 62.47 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.334 0.587 . . . . 1.3400000000000001 109.478 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.235 -0.916 . . . . 0.71999999999999997 109.186 179.635 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.22 0.533 . . . . 1.6699999999999999 109.706 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.8 m-85 -98.78 153.49 18.71 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.296 -0.878 . . . . 0.60999999999999999 110.376 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.0 135.47 34.32 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.242 -1.022 . . . . 0.56000000000000005 108.242 178.472 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.4 p -96.99 158.76 15.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.169 -0.957 . . . . 0.42999999999999999 109.707 -179.38 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.2 133.02 17.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.34999999999999998 109.934 -179.237 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.87 130.46 34.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.896 -0.779 . . . . 1.3700000000000001 108.896 179.325 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.89 113.06 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.486 -0.758 . . . . 0.47999999999999998 109.397 -179.671 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.52 153.42 37.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.473 -0.767 . . . . 2.0800000000000001 109.786 179.352 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.93 135.15 4.77 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.216 -1.153 . . . . 0.40000000000000002 110.216 179.316 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' D' ' 335' ' ' ARG . 19.4 ttt-85 -77.2 -50.81 12.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.399 -1.059 . . . . 2.6400000000000001 109.106 179.611 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.09 72.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.031 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.597 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.33 79.3 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.427 -0.796 . . . . 2.7400000000000002 109.634 179.785 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -54.72 -57.36 11.83 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.591 -0.693 . . . . 0.42999999999999999 109.982 -179.528 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.64 -39.53 50.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.878 -179.587 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.52 -53.97 39.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 110.543 -179.126 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.1 -45.09 95.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.978 -1.076 . . . . 0.27000000000000002 109.052 -179.699 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.78 -43.43 58.53 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.322 -0.861 . . . . 2.4500000000000002 109.361 179.698 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.63 -52.85 63.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.75 109.774 -179.72 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.52 -36.57 78.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.31 108.749 179.748 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.26 24.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.462 -0.773 . . . . 1.22 109.325 179.595 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.85 -31.84 73.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.406 -0.809 . . . . 1.73 109.67 -179.924 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -57.25 13.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 0.28000000000000003 110.175 -179.387 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.87 -44.29 97.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 0.31 109.376 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.9 -36.04 71.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.9099999999999999 108.965 179.667 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.6 tp -64.49 -44.99 89.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.42999999999999999 108.766 179.647 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -62.97 -46.65 86.7 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.867 0.842 . . . . 1.5700000000000001 108.753 179.218 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.36 -40.92 62.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.312 0.577 . . . . 1.4399999999999999 109.471 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.32 83.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 0.64000000000000001 109.215 179.677 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD21 ' C' ' 350' ' ' LEU . 6.6 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.421 -0.799 . . . . 1.21 109.553 179.948 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.338 0.589 . . . . 1.7 109.833 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.98 156.66 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.32 -0.863 . . . . 0.60999999999999999 109.59 179.723 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.13 136.62 35.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.857 . . . . 0.57999999999999996 108.77 178.903 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.4 157.58 15.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.285 -0.885 . . . . 0.41999999999999998 109.527 -179.576 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.9 131.08 17.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.399 -0.813 . . . . 0.35999999999999999 110.022 -178.58 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.4 132.62 34.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.083 179.575 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.4 118.98 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 121.549 0.69 . . . . 0.46999999999999997 109.352 -179.598 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.86 148.67 38.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.566 -0.709 . . . . 2.1000000000000001 109.704 179.732 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.42 6.1 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.542 -1.023 . . . . 0.41999999999999998 110.542 179.075 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.97 -46.5 12.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.427 -1.043 . . . . 2.6800000000000002 109.188 179.51 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.15 -40.49 77.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 2.2200000000000002 108.864 179.694 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -41.14 78.1 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.439 -0.788 . . . . 2.77 109.457 179.638 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.58 -59.22 5.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.546 -0.721 . . . . 0.42999999999999999 110.039 -179.596 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.82 -35.3 43.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 109.622 -179.628 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.04 -57.36 8.85 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.245 -0.909 . . . . 0.44 110.322 -179.513 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.94 91.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.976 . . . . 0.28999999999999998 108.883 -179.791 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.526 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -50.06 -42.24 49.4 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.376 -0.827 . . . . 2.4399999999999999 109.105 179.42 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.82 -45.29 93.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.74 109.396 179.488 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.06 -45.84 91.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.332 -0.855 . . . . 0.29999999999999999 109.286 179.921 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.77 -49.34 76.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.22 109.259 179.926 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.1 -38.15 87.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 1.72 109.279 179.873 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -52.3 66.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.387 -0.821 . . . . 0.27000000000000002 109.605 -179.902 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.88 -46.59 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.28999999999999998 109.293 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.01 -35.44 73.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.198 179.811 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.68 -47.2 82.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -0.817 . . . . 0.40999999999999998 109.165 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.389 -0.82 . . . . 1.5600000000000001 108.863 179.699 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -56.91 -31.76 65.25 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.587 179.749 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.14 83.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.254 -0.904 . . . . 0.66000000000000003 109.754 -179.771 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.518 HE22 HD11 ' B' ' 350' ' ' LEU . 71.3 mt-30 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.215 -0.928 . . . . 1.1799999999999999 109.395 -179.969 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.279 0.561 . . . . 1.6100000000000001 109.849 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.99 156.66 16.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.327 -0.858 . . . . 0.56999999999999995 109.64 179.677 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.09 136.67 35.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.853 . . . . 0.53000000000000003 108.746 178.912 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.39 157.57 15.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -0.858 . . . . 0.38 109.531 -179.603 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.93 130.98 17.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.39 -0.819 . . . . 0.35999999999999999 110.069 -178.595 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.38 132.65 34.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 109.061 179.623 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.37 119.01 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 CA-C-O 121.527 0.68 . . . . 0.48999999999999999 109.337 -179.597 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.87 148.64 38.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.527 -0.733 . . . . 2.1000000000000001 109.676 179.708 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.42 142.39 6.16 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.527 -1.029 . . . . 0.44 110.527 179.027 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.0 -46.47 12.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.503 -0.998 . . . . 2.7200000000000002 109.235 179.468 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.2 -40.44 77.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 2.21 108.851 179.711 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.625 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.08 -41.08 78.19 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.411 -0.806 . . . . 2.79 109.441 179.633 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.58 -59.23 5.13 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.654 -0.654 . . . . 0.45000000000000001 110.065 -179.636 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.85 -35.31 44.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.567 -179.581 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.05 -57.31 8.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.268 -0.895 . . . . 0.42999999999999999 110.289 -179.457 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -61.89 -45.91 91.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.28000000000000003 108.879 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.51 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.6 OUTLIER -50.09 -42.25 49.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.378 -0.826 . . . . 2.52 109.115 179.418 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.81 -45.29 93.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 1.75 109.409 179.474 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.07 -45.76 92.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.31 109.339 179.904 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.74 -49.43 76.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.179 -0.951 . . . . 1.21 109.242 179.868 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.09 -38.06 87.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.264 -0.897 . . . . 1.6899999999999999 109.343 179.902 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.13 -52.35 66.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.27000000000000002 109.622 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.82 -46.71 88.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.29999999999999999 109.276 179.88 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.92 -35.47 73.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.202 -0.936 . . . . 1.9299999999999999 109.196 179.791 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.518 HD11 HE22 ' A' ' 354' ' ' GLN . 38.1 tp -63.64 -47.18 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.423 -0.798 . . . . 0.40000000000000002 109.19 179.832 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.26 -48.96 75.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.358 -0.839 . . . . 1.5900000000000001 108.867 179.701 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -56.92 -31.66 65.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.632 -0.668 . . . . 1.4299999999999999 109.652 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.65000000000000002 109.684 -179.753 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.273 0.559 . . . . 2.1099999999999999 109.865 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.01 156.75 16.2 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 0.64000000000000001 109.598 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -139.15 136.56 35.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.282 -0.886 . . . . 0.48999999999999999 108.779 178.951 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.34 157.61 15.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.288 -0.883 . . . . 0.46999999999999997 109.582 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.94 131.04 17.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.416 -0.802 . . . . 0.41999999999999998 110.049 -178.568 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.39 132.66 34.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 1.8100000000000001 109.05 179.601 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.4 119.0 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.488 0.661 . . . . 0.41999999999999998 109.338 -179.615 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.96 148.67 37.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.591 -0.693 . . . . 2.3500000000000001 109.639 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.4 6.09 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.588 -1.005 . . . . 0.40999999999999998 110.588 179.131 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -82.97 -46.53 12.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.48 -1.012 . . . . 2.5899999999999999 109.177 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.16 -40.49 77.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.335 -0.853 . . . . 2.54 108.832 179.743 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.637 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -41.17 77.84 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.439 -0.788 . . . . 3.3900000000000001 109.508 179.585 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.53 -59.25 5.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.572 -0.705 . . . . 0.46999999999999997 110.102 -179.647 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.81 -35.3 43.76 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.307 -0.871 . . . . 1.6599999999999999 109.622 -179.67 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.03 -57.38 8.83 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.225 -0.922 . . . . 0.60999999999999999 110.314 -179.529 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.93 91.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.33000000000000002 108.911 -179.794 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.521 ' HB3' HH11 ' C' ' 342' ' ' ARG . 0.6 OUTLIER -50.1 -42.24 49.96 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.367 -0.833 . . . . 3.2799999999999998 109.073 179.41 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.84 -45.27 93.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 1.78 109.386 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.05 -45.77 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.38 109.343 179.893 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.73 -49.49 76.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.182 -0.949 . . . . 1.2 109.248 179.863 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.0 -38.16 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.274 -0.891 . . . . 2.1200000000000001 109.313 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.13 -52.32 66.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 0.26000000000000001 109.635 -179.951 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.88 -46.67 88.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.121 -0.987 . . . . 0.40000000000000002 109.287 179.86 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.94 -35.45 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.217 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.593 HD11 HE22 ' D' ' 354' ' ' GLN . 37.9 tp -63.64 -47.22 82.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.343 -0.848 . . . . 0.75 109.17 179.825 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.31 -48.89 76.16 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.37 -0.831 . . . . 2.1899999999999999 108.802 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -56.98 -31.69 65.3 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.683 -0.636 . . . . 1.3400000000000001 109.575 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 0.71999999999999997 109.759 -179.787 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.307 0.575 . . . . 1.6699999999999999 109.89 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.98 156.75 16.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.60999999999999999 109.562 179.731 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.16 136.64 35.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.315 -0.866 . . . . 0.56000000000000005 108.7 178.933 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.41 157.49 15.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 0.42999999999999999 109.539 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.85 131.04 17.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -0.799 . . . . 0.34999999999999998 110.048 -178.618 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.35 132.68 34.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.3700000000000001 109.081 179.595 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.45 119.01 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-O 121.572 0.701 . . . . 0.47999999999999998 109.288 -179.556 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.88 148.67 38.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.523 -0.736 . . . . 2.0800000000000001 109.671 179.674 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.44 6.11 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.527 -1.029 . . . . 0.40000000000000002 110.527 179.072 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.03 -46.49 12.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.516 -0.991 . . . . 2.6400000000000001 109.166 179.499 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -57.18 -40.44 77.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.907 179.703 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.636 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -41.17 78.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.423 179.613 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -55.49 -59.3 5.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.595 -0.69 . . . . 0.42999999999999999 110.033 -179.63 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.84 -35.32 44.15 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.32 -0.863 . . . . 1.6899999999999999 109.585 -179.566 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.04 -57.33 8.95 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.169 -0.957 . . . . 0.42999999999999999 110.279 -179.479 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.88 -45.91 91.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.089 -1.007 . . . . 0.27000000000000002 108.886 -179.796 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.527 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.6 OUTLIER -50.11 -42.25 50.03 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.442 -0.786 . . . . 2.4500000000000002 109.104 179.434 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.8 -45.24 93.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -0.938 . . . . 1.75 109.433 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.16 -45.75 92.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.31 109.278 179.955 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.69 -49.46 76.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.173 -0.954 . . . . 1.22 109.285 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.03 -38.12 87.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 1.73 109.324 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -52.3 66.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.854 . . . . 0.28000000000000003 109.63 -179.94 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.405 HD13 ' HE ' ' B' ' 337' ' ' ARG . 55.8 mt -61.84 -46.68 88.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.932 . . . . 0.31 109.306 179.825 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.95 -35.45 73.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 1.9099999999999999 109.186 179.789 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.66 -47.18 82.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.42999999999999999 109.168 179.875 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.364 -0.835 . . . . 1.5700000000000001 108.894 179.679 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -57.02 -31.59 65.28 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.703 -0.623 . . . . 1.4399999999999999 109.608 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.0 82.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.879 . . . . 0.64000000000000001 109.763 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.593 HE22 HD11 ' C' ' 350' ' ' LEU . 71.3 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.21 109.385 179.998 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.371 -0.603 . . . . 1.7 109.371 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -97.34 153.11 18.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.213 -0.93 . . . . 0.60999999999999999 109.95 -179.884 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.35 137.78 34.36 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.685 -0.858 . . . . 0.57999999999999996 108.685 179.08 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -94.79 163.41 13.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.87 . . . . 0.41999999999999998 109.05 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.92 132.79 17.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.173 -0.954 . . . . 0.35999999999999999 110.147 -179.079 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.58 127.23 33.95 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.699 -0.852 . . . . 1.3700000000000001 108.699 179.299 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.2 mt -124.26 111.17 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.546 -0.721 . . . . 0.46999999999999997 109.776 -179.296 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.53 152.61 37.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.769 . . . . 2.1000000000000001 109.531 179.531 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.97 131.67 4.14 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.065 -1.214 . . . . 0.41999999999999998 110.065 179.617 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.81 -51.95 8.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -1.136 . . . . 2.6800000000000002 109.566 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.28 -38.89 77.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.972 -1.08 . . . . 2.2200000000000002 109.756 -179.596 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.115 -0.99 . . . . 2.77 109.699 -179.958 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.71 -53.44 52.08 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 109.908 -179.809 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -51.47 -39.51 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 1.6599999999999999 110.13 -179.499 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.14 -51.32 66.96 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.206 -0.934 . . . . 0.44 110.483 -179.174 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.68 -42.62 97.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.06 -1.025 . . . . 0.28999999999999998 109.069 -179.636 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.249 -0.907 . . . . 2.4399999999999999 109.447 179.754 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.82 -46.29 91.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.74 109.967 -179.647 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.97 -41.05 95.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.29999999999999999 109.515 -179.717 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.99 -50.33 74.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 1.22 109.576 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.92 81.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.297 -0.877 . . . . 1.72 109.769 -179.756 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -53.54 57.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 0.27000000000000002 109.912 -179.582 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.6 -42.64 99.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.28999999999999998 109.482 -179.868 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.3 -35.42 73.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.157 -0.965 . . . . 1.9099999999999999 109.225 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -65.9 -52.3 51.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 0.40999999999999998 109.193 179.907 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.05 -36.46 79.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.328 -0.858 . . . . 1.5600000000000001 109.056 179.784 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.71 -36.2 66.93 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.656 -0.653 . . . . 1.4299999999999999 109.272 179.808 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.95 80.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.66000000000000003 109.597 -179.981 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.216 -0.928 . . . . 1.1799999999999999 109.668 -179.87 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.411 -0.589 . . . . 1.6100000000000001 109.411 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.32 153.08 18.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.234 -0.916 . . . . 0.56999999999999995 109.973 -179.812 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.39 137.66 34.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 0.53000000000000003 108.74 179.121 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.9 p -94.68 163.37 13.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 0.38 109.043 -179.857 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 132.74 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.013 -1.054 . . . . 0.35999999999999999 110.198 -179.096 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.6 127.21 33.95 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.653 -0.869 . . . . 1.3600000000000001 108.653 179.412 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.29 111.25 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 121.553 0.692 . . . . 0.48999999999999999 109.774 -179.337 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.42 152.62 37.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.448 -0.783 . . . . 2.1000000000000001 109.566 179.456 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.91 131.82 4.16 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.001 -1.24 . . . . 0.44 110.001 179.572 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.95 -51.96 8.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.3 -1.118 . . . . 2.7200000000000002 109.585 179.958 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.26 -38.93 77.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.142 -0.974 . . . . 2.21 109.714 -179.609 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' D' ' 352' ' ' ASP . 30.7 ttm180 -62.96 -42.13 99.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.265 -0.897 . . . . 2.79 109.703 -179.918 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -53.72 -53.41 52.52 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.45000000000000001 109.907 -179.772 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.49 -39.5 57.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 1.6799999999999999 110.114 -179.507 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.11 -51.37 66.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.233 -0.917 . . . . 0.42999999999999999 110.539 -179.221 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.58 -42.62 97.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.036 -1.04 . . . . 0.28000000000000003 109.143 -179.696 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.41 63.31 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 2.52 109.478 179.731 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.73 -46.39 90.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 1.75 109.99 -179.701 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.94 -41.13 95.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.31 109.47 -179.65 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.89 -50.42 74.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 1.21 109.612 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.63 -35.94 81.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 1.6899999999999999 109.757 -179.759 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -53.6 56.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.27000000000000002 109.952 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.62 -42.64 99.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 109.431 -179.838 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.26 -35.43 73.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.182 -0.949 . . . . 1.9299999999999999 109.267 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -65.87 -52.37 50.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.40000000000000002 109.126 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.06 -36.52 79.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.363 -0.836 . . . . 1.5900000000000001 109.037 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.76 -36.11 66.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.48 -0.763 . . . . 1.4299999999999999 109.275 179.834 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.65000000000000002 109.628 179.931 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.385 -0.598 . . . . 2.1099999999999999 109.385 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.34 153.13 18.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.218 -0.926 . . . . 0.64000000000000001 109.97 -179.834 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -140.41 137.75 34.22 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.721 -0.844 . . . . 0.48999999999999999 108.721 179.079 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.1 p -94.78 163.41 13.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.306 -0.872 . . . . 0.46999999999999997 109.034 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.96 132.74 16.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.08 -1.013 . . . . 0.41999999999999998 110.208 -179.072 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.62 127.23 33.96 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.61 -0.885 . . . . 1.8100000000000001 108.61 179.408 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.25 111.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.533 -0.73 . . . . 0.41999999999999998 109.844 -179.349 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.5 152.6 37.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.533 -0.729 . . . . 2.3500000000000001 109.572 179.569 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 131.67 4.16 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 109.967 -1.253 . . . . 0.40999999999999998 109.967 179.533 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.79 -51.94 8.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 2.5899999999999999 109.55 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.35 -38.83 78.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 2.54 109.686 -179.526 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.05 -42.06 99.63 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.207 -0.933 . . . . 3.3900000000000001 109.693 -179.938 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -53.76 -53.42 52.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.475 -0.766 . . . . 0.46999999999999997 109.888 -179.769 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.56 57.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 1.6599999999999999 110.091 -179.519 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.15 -51.34 66.84 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.187 -0.946 . . . . 0.60999999999999999 110.488 -179.127 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.69 -42.56 97.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.98 . . . . 0.33000000000000002 109.085 -179.628 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.39 63.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.278 -0.889 . . . . 3.2799999999999998 109.513 179.718 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -60.76 -46.33 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.389 -0.819 . . . . 1.78 110.036 -179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.95 -41.13 95.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.24 -0.913 . . . . 0.38 109.497 -179.721 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.88 -50.36 74.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 1.2 109.656 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.94 81.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 2.1200000000000001 109.717 -179.762 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.45 -53.67 55.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 0.26000000000000001 109.92 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.59 -42.62 99.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.40000000000000002 109.444 -179.765 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.31 -35.4 73.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 2.0899999999999999 109.218 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -65.88 -52.33 51.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.75 109.153 179.899 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.13 -36.45 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 2.1899999999999999 109.064 179.764 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.75 -36.12 66.93 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.554 -0.716 . . . . 1.3400000000000001 109.319 179.73 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.71999999999999997 109.631 179.909 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.422 -0.585 . . . . 1.6699999999999999 109.422 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -97.3 153.09 18.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.204 -0.935 . . . . 0.60999999999999999 110.008 -179.902 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.3 137.67 34.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.744 -0.836 . . . . 0.56000000000000005 108.744 179.082 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -94.7 163.45 13.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 109.093 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.0 132.78 16.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.34999999999999998 110.142 -179.059 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.69 127.24 34.0 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.422 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.27 111.22 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.51 -0.744 . . . . 0.47999999999999998 109.84 -179.317 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.36 152.53 38.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.421 -0.8 . . . . 2.0800000000000001 109.624 179.49 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 131.78 4.17 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.011 -1.236 . . . . 0.40000000000000002 110.011 179.511 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.87 -51.82 8.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -1.103 . . . . 2.6400000000000001 109.634 179.94 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.31 -38.93 78.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.11 -0.994 . . . . 2.2200000000000002 109.77 -179.641 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -62.96 -42.09 99.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.218 -0.926 . . . . 2.7400000000000002 109.705 -179.951 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.71 -53.46 51.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.453 -0.779 . . . . 0.42999999999999999 109.89 -179.773 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.62 57.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 110.061 -179.531 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.16 -51.26 67.13 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.208 -0.933 . . . . 0.42999999999999999 110.495 -179.08 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.7 -42.61 97.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.27000000000000002 109.037 -179.644 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.4 63.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 109.476 179.772 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.78 -46.34 90.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.75 109.957 -179.669 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.98 -41.1 95.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 0.31 109.492 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.87 -50.32 74.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.157 -0.965 . . . . 1.22 109.689 179.888 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.72 -35.94 81.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 1.73 109.71 -179.721 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -53.5 57.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.171 -0.956 . . . . 0.28000000000000003 109.963 -179.61 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.7 -42.62 99.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.89 . . . . 0.31 109.42 -179.845 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.29 -35.33 73.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 1.9099999999999999 109.252 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -65.96 -52.39 50.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -0.84 . . . . 0.42999999999999999 109.175 179.874 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.96 -36.43 79.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 1.5700000000000001 109.089 179.756 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' B' ' 337' ' ' ARG . 9.7 m-20 -55.8 -36.18 67.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.489 -0.757 . . . . 1.4399999999999999 109.239 179.823 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.96 80.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.64000000000000001 109.601 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.889 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.181 0.515 . . . . 1.7 109.742 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -95.83 158.4 15.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.272 -0.893 . . . . 0.60999999999999999 109.89 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 98.4 m-85 -140.08 -169.68 2.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.479 -0.763 . . . . 0.57999999999999996 109.489 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.48 151.03 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.241 -0.912 . . . . 0.41999999999999998 108.676 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -142.69 134.16 26.39 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.314 -0.866 . . . . 0.35999999999999999 110.073 -178.327 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 35.2 tp60 -84.65 129.03 34.89 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.513 -0.921 . . . . 1.3700000000000001 108.513 178.917 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.38 113.71 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.442 -0.786 . . . . 0.46999999999999997 109.115 -179.68 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.81 147.55 41.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.537 -0.727 . . . . 2.1000000000000001 109.751 179.922 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.02 136.83 5.4 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.108 -1.197 . . . . 0.41999999999999998 110.108 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.27 -50.51 8.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -1.108 . . . . 2.6800000000000002 109.341 179.694 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.02 -37.99 69.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 109.02 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.75 -44.5 85.76 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.691 -0.855 . . . . 2.77 108.691 179.244 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.86 -50.8 69.59 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.703 -0.623 . . . . 0.42999999999999999 109.81 179.912 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.59 -40.09 62.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.336 -0.853 . . . . 1.6599999999999999 110.014 -179.484 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.94 -49.5 74.52 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.234 -0.916 . . . . 0.44 110.341 -179.133 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.84 -44.27 97.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.28999999999999998 109.29 -179.642 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.94 -43.44 60.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 2.4399999999999999 109.467 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.03 -49.65 76.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 1.74 109.454 -179.996 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.09 -36.35 77.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 0.29999999999999999 108.602 179.582 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.76 -57.99 10.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 1.22 109.367 179.571 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.3 -32.0 73.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.465 -0.772 . . . . 1.72 109.925 -179.753 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.26 66.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 0.27000000000000002 109.918 -179.396 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.14 -47.51 85.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 0.28999999999999998 109.368 -179.959 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.79 62.2 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 108.865 179.643 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.408 ' CD1' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -66.16 -57.95 6.5 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.348 -0.982 . . . . 0.40999999999999998 108.348 179.826 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.473 ' CB ' ' NZ ' ' A' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.13 71.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.843 0.83 . . . . 1.5600000000000001 108.778 -179.819 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.37 -37.96 76.28 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.739 -0.601 . . . . 1.4299999999999999 109.668 179.6 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.39 72.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 0.66000000000000003 109.822 -179.634 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.1799999999999999 109.732 -179.724 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.208 0.527 . . . . 1.6100000000000001 109.789 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.69 158.39 15.47 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.276 -0.89 . . . . 0.56999999999999995 109.891 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.491 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 98.3 m-85 -139.99 -169.61 2.77 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.364 -0.835 . . . . 0.53000000000000003 109.465 -179.94 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.37 151.3 32.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.287 -0.883 . . . . 0.38 108.698 179.803 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.03 133.87 25.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.124 -0.985 . . . . 0.35999999999999999 110.082 -178.339 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 34.6 tp60 -84.46 129.07 34.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.499 -0.926 . . . . 1.3600000000000001 108.499 179.024 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.32 113.69 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.412 -0.805 . . . . 0.48999999999999999 109.238 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.9 147.62 40.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.525 -0.735 . . . . 2.1000000000000001 109.713 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 136.87 5.37 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.999 -1.24 . . . . 0.44 109.999 179.546 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -50.49 8.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.334 -1.098 . . . . 2.7200000000000002 109.306 179.649 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.21 -37.47 69.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.212 -0.93 . . . . 2.21 108.983 -179.947 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.2 -44.37 84.1 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.659 -0.867 . . . . 2.79 108.659 179.299 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.94 -50.72 69.99 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.736 -0.603 . . . . 0.45000000000000001 109.751 179.913 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.66 -40.13 62.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.376 -0.827 . . . . 1.6799999999999999 109.962 -179.412 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.89 -49.53 74.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.287 -0.883 . . . . 0.42999999999999999 110.358 -179.169 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -60.79 -44.33 96.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.069 -1.019 . . . . 0.28000000000000003 109.251 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.97 -43.52 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.927 . . . . 2.52 109.366 179.738 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.91 -49.79 76.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 1.75 109.44 -179.993 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.11 -36.38 77.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.216 -0.928 . . . . 0.31 108.576 179.666 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.69 -57.98 10.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.416 -0.802 . . . . 1.21 109.358 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.34 -32.14 73.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.431 -0.793 . . . . 1.6899999999999999 109.939 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.18 66.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.27000000000000002 109.92 -179.408 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.32 -47.27 86.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 0.29999999999999999 109.32 -179.94 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -57.88 -26.79 62.59 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.297 -0.877 . . . . 1.9299999999999999 108.778 179.671 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -66.07 -57.84 6.81 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.401 -0.963 . . . . 0.40000000000000002 108.401 179.773 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.484 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 2.7 ttmp? -59.04 -34.22 71.67 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.771 -0.826 . . . . 1.5900000000000001 108.771 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.774 -0.579 . . . . 1.4299999999999999 109.615 179.612 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.65000000000000002 109.84 -179.659 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.19 0.519 . . . . 2.1099999999999999 109.743 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.74 158.47 15.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.324 -0.86 . . . . 0.64000000000000001 109.846 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 98.5 m-85 -140.07 -169.44 2.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.48999999999999999 109.496 179.99 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.74 150.86 31.56 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.637 -0.875 . . . . 0.46999999999999997 108.637 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -142.62 134.21 26.61 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.29 -0.881 . . . . 0.41999999999999998 110.042 -178.293 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 35.1 tp60 -84.74 129.04 34.88 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.474 -0.935 . . . . 1.8100000000000001 108.474 178.994 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.37 113.79 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.161 -179.675 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.86 147.45 41.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.588 -0.695 . . . . 2.3500000000000001 109.835 179.931 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.05 136.9 5.44 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.06 -1.216 . . . . 0.40999999999999998 110.06 179.579 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.594 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -50.4 8.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.334 -1.098 . . . . 2.5899999999999999 109.334 179.713 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.1 -37.91 70.03 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.254 -0.904 . . . . 2.54 108.993 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.83 -44.48 85.42 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.677 -0.86 . . . . 3.3900000000000001 108.677 179.268 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.82 -50.88 69.32 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.616 -0.677 . . . . 0.46999999999999997 109.809 179.861 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.6 -40.09 62.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.373 -0.829 . . . . 1.6599999999999999 109.995 -179.467 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.9 -49.44 74.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 110.43 -179.212 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.9 -44.3 97.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.066 -1.021 . . . . 0.33000000000000002 109.216 -179.609 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -50.94 -43.52 60.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 3.2799999999999998 109.39 179.71 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.92 -49.77 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.78 109.469 179.987 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.98 -36.47 77.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 0.38 108.564 179.622 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.64 -58.0 10.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.518 -0.739 . . . . 1.2 109.313 179.634 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.36 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 2.1200000000000001 109.94 -179.726 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.25 66.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.241 -0.912 . . . . 0.26000000000000001 109.93 -179.489 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.23 -47.33 86.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.082 -1.011 . . . . 0.40000000000000002 109.364 -179.942 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -57.83 -26.81 62.53 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.0899999999999999 108.768 179.66 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -57.97 6.59 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.331 -0.989 . . . . 0.75 108.331 179.798 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.2 71.6 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.773 -0.825 . . . . 2.1899999999999999 108.773 -179.831 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.31 -38.01 76.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.312 0.577 . . . . 1.3400000000000001 109.7 179.573 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.902 . . . . 0.71999999999999997 109.826 -179.619 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.634 -0.506 . . . . 1.6699999999999999 109.634 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.77 158.12 15.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.374 -0.829 . . . . 0.60999999999999999 109.899 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.551 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 98.3 m-85 -139.87 -169.79 2.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.395 -0.816 . . . . 0.56000000000000005 109.502 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.05 151.67 33.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.205 -0.935 . . . . 0.42999999999999999 108.633 179.872 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.5 tp -143.37 133.7 24.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.27 -0.894 . . . . 0.34999999999999998 109.994 -178.3 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 35.1 tp60 -84.31 129.09 34.9 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.505 -0.924 . . . . 1.3700000000000001 108.505 178.974 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.42 113.81 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.372 -0.83 . . . . 0.47999999999999998 109.205 -179.788 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.91 147.51 40.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.49 -0.756 . . . . 2.0800000000000001 109.727 -179.958 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 136.84 5.44 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.041 -1.224 . . . . 0.40000000000000002 110.041 179.547 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.25 -50.46 8.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -1.093 . . . . 2.6400000000000001 109.323 179.656 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -56.17 -37.68 69.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.969 -179.988 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -65.97 -44.52 84.69 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.659 -0.867 . . . . 2.7400000000000002 108.659 179.21 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.76 -50.93 69.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.668 -0.645 . . . . 0.42999999999999999 109.768 179.944 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -52.52 -40.06 62.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 110.062 -179.508 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.94 -49.54 74.33 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.259 -0.901 . . . . 0.42999999999999999 110.422 -179.197 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.72 -44.34 96.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.053 -1.029 . . . . 0.27000000000000002 109.265 -179.691 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.02 -43.4 60.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.296 -0.878 . . . . 2.4500000000000002 109.378 179.773 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.94 -49.78 76.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -0.941 . . . . 1.75 109.497 179.964 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -36.5 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.31 108.595 179.637 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -58.61 -57.96 10.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.498 -0.751 . . . . 1.22 109.392 179.559 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.37 -32.04 73.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 1.73 109.971 -179.776 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.426 ' HB2' ' HZ3' ' C' ' 351' ' ' LYS . . . -58.86 -52.23 66.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.28000000000000003 109.883 -179.423 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -47.39 86.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.31 109.286 -179.855 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.69 62.06 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 108.863 179.589 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -58.0 6.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.329 -0.989 . . . . 0.42999999999999999 108.329 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.486 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 2.7 ttmp? -58.94 -34.11 71.38 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.838 0.828 . . . . 1.5700000000000001 108.804 -179.862 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.42 -37.94 76.41 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.35 0.595 . . . . 1.4399999999999999 109.586 179.67 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.5 71.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.143 -0.973 . . . . 0.64000000000000001 109.816 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.308 -0.87 . . . . 1.21 109.758 -179.728 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.246 0.546 . . . . 1.7 109.728 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.09 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.253 -0.904 . . . . 0.60999999999999999 109.534 179.768 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.93 -172.91 3.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.57999999999999996 109.419 -179.943 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -150.93 150.14 30.48 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.558 -0.904 . . . . 0.41999999999999998 108.558 -179.982 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -141.74 132.27 25.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.258 -0.902 . . . . 0.35999999999999999 109.693 -178.771 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -85.64 129.87 34.71 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.828 -0.804 . . . . 1.3700000000000001 108.828 179.304 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.57 114.18 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.446 -0.784 . . . . 0.46999999999999997 109.1 -179.759 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.79 144.87 43.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.434 -0.791 . . . . 2.1000000000000001 109.783 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.43 134.67 5.37 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.114 -1.194 . . . . 0.41999999999999998 110.114 179.532 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -80.92 -42.89 20.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.464 -1.021 . . . . 2.6800000000000002 109.32 179.566 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.41 -45.32 88.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 2.2200000000000002 109.336 179.772 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.7 -40.68 97.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 2.77 109.227 179.871 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.14 -54.0 50.36 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.522 -0.736 . . . . 0.42999999999999999 109.99 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -50.84 -39.07 52.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 1.6599999999999999 110.123 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.92 -51.18 67.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.196 -0.94 . . . . 0.44 110.302 -179.362 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -45.66 93.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.079 -1.013 . . . . 0.28999999999999998 109.188 -179.732 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.53 -42.52 61.84 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.282 -0.887 . . . . 2.4399999999999999 109.511 179.733 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.22 -51.08 71.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 1.74 109.809 -179.77 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.51 -37.01 79.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.16 -0.962 . . . . 0.29999999999999999 108.801 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.63 -54.48 46.64 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.41 -0.806 . . . . 1.22 109.392 179.654 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.77 -32.42 73.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.394 -0.816 . . . . 1.72 109.812 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.85 -56.67 19.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.348 -0.845 . . . . 0.27000000000000002 110.115 -179.446 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.82 -42.76 98.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.14 -0.975 . . . . 0.28999999999999998 109.284 -179.813 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.26 -37.1 74.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 1.9099999999999999 108.867 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.65 -42.44 98.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.517 -0.92 . . . . 0.40999999999999998 108.517 179.56 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.67 -53.8 41.75 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.802 -0.814 . . . . 1.5600000000000001 108.802 178.916 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.1 62.12 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.736 -0.602 . . . . 1.4299999999999999 109.603 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.35 85.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.66000000000000003 109.494 -179.811 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' B' ' 350' ' ' LEU . 27.3 mt-30 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.865 . . . . 1.1799999999999999 109.318 179.934 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.263 0.554 . . . . 1.6100000000000001 109.784 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -94.06 162.34 13.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.275 -0.891 . . . . 0.56999999999999995 109.552 179.841 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.9 -172.87 3.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.352 -0.843 . . . . 0.53000000000000003 109.425 -179.864 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -151.0 150.19 30.47 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.566 -0.902 . . . . 0.38 108.566 -179.979 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.87 132.23 25.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.275 -0.891 . . . . 0.35999999999999999 109.648 -178.688 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.62 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.808 -0.812 . . . . 1.3600000000000001 108.808 179.349 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.56 114.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.51 -0.744 . . . . 0.48999999999999999 109.092 -179.815 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.8 144.84 43.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.455 -0.778 . . . . 2.1000000000000001 109.825 -179.964 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.46 134.59 5.36 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.182 -1.167 . . . . 0.44 110.182 179.573 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.85 -42.91 20.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.414 -1.05 . . . . 2.7200000000000002 109.273 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.4 -45.39 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.21 109.28 179.799 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.68 -40.67 97.84 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.296 -0.877 . . . . 2.79 109.287 179.923 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.09 -54.0 50.3 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.513 -0.742 . . . . 0.45000000000000001 109.953 -179.85 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -50.84 -39.2 52.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 110.037 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.82 -51.18 68.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.206 -0.934 . . . . 0.42999999999999999 110.288 -179.308 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.31 -45.69 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 0.28000000000000003 109.188 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.41 -42.67 61.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.287 -0.883 . . . . 2.52 109.472 179.67 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.17 -51.13 70.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.127 -0.983 . . . . 1.75 109.858 -179.753 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.53 -36.91 79.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.31 108.788 179.936 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.67 -54.44 47.07 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.427 -0.796 . . . . 1.21 109.388 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.48 73.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.337 -0.852 . . . . 1.6899999999999999 109.741 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.7 18.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.27000000000000002 110.072 -179.484 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.83 -42.82 98.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.101 -0.999 . . . . 0.29999999999999999 109.32 -179.785 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.31 -36.97 74.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.193 -0.942 . . . . 1.9299999999999999 108.911 179.578 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.445 HD21 ' NE2' ' A' ' 354' ' ' GLN . 5.0 tp -63.66 -42.42 98.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.484 -0.932 . . . . 0.40000000000000002 108.484 179.477 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.65 -53.85 41.02 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.779 -0.822 . . . . 1.5900000000000001 108.779 178.899 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -30.08 62.13 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.792 -0.567 . . . . 1.4299999999999999 109.64 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 0.65000000000000002 109.5 -179.802 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.26 0.552 . . . . 2.1099999999999999 109.718 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.0 162.42 13.89 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -0.918 . . . . 0.64000000000000001 109.601 179.73 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.06 -172.95 3.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.48999999999999999 109.461 -179.917 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -150.95 150.06 30.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.25 -0.907 . . . . 0.46999999999999997 108.627 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.69 132.39 25.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.278 -0.889 . . . . 0.41999999999999998 109.706 -178.747 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.71 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.791 -0.818 . . . . 1.8100000000000001 108.791 179.399 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.58 114.14 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.433 -0.792 . . . . 0.41999999999999998 109.084 -179.745 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.73 144.82 43.48 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.391 -0.818 . . . . 2.3500000000000001 109.777 -179.924 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.36 134.59 5.32 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.139 -1.184 . . . . 0.40999999999999998 110.139 179.558 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.8 -42.91 20.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.445 -1.032 . . . . 2.5899999999999999 109.246 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.52 -45.27 89.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.316 -0.865 . . . . 2.54 109.278 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -62.71 -40.65 97.84 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.272 -0.893 . . . . 3.3900000000000001 109.283 179.81 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.18 -54.02 50.18 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.74 . . . . 0.46999999999999997 109.93 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.74 -39.25 51.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.322 -0.861 . . . . 1.6599999999999999 110.034 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.9 -51.07 68.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.177 -0.952 . . . . 0.60999999999999999 110.305 -179.288 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.37 -45.64 93.51 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.33000000000000002 109.192 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.49 -42.51 61.73 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.357 -0.839 . . . . 3.2799999999999998 109.538 179.66 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.26 -51.05 71.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.202 -0.936 . . . . 1.78 109.818 -179.766 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.58 -36.97 79.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.38 108.761 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.66 -54.48 46.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.465 -0.772 . . . . 1.2 109.427 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.66 -32.57 73.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.387 -0.821 . . . . 2.1200000000000001 109.799 -179.897 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -56.75 18.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.26000000000000001 110.117 -179.463 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -42.73 98.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.40000000000000002 109.36 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.32 -37.01 74.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 108.871 179.528 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.498 HD21 ' NE2' ' D' ' 354' ' ' GLN . 5.0 tp -63.68 -42.49 98.01 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.492 -0.929 . . . . 0.75 108.492 179.492 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.64 -53.73 42.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.796 -0.816 . . . . 2.1899999999999999 108.796 178.959 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.18 62.22 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.237 0.541 . . . . 1.3400000000000001 109.647 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 0.71999999999999997 109.54 -179.857 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.175 0.512 . . . . 1.6699999999999999 109.755 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.07 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.347 -0.846 . . . . 0.60999999999999999 109.565 179.791 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -139.85 -172.87 3.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.283 -0.885 . . . . 0.56000000000000005 109.437 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -150.99 150.21 30.51 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.541 -0.911 . . . . 0.42999999999999999 108.541 179.986 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -141.89 132.2 25.02 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.93 . . . . 0.34999999999999998 109.695 -178.735 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.56 129.93 34.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.803 -0.814 . . . . 1.3700000000000001 108.803 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.6 114.22 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.392 -0.818 . . . . 0.47999999999999998 109.099 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.86 144.81 43.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.429 -0.795 . . . . 2.0800000000000001 109.742 -179.855 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.45 134.68 5.38 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.125 -1.19 . . . . 0.40000000000000002 110.125 179.548 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.92 -42.89 20.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.449 -1.03 . . . . 2.6400000000000001 109.269 179.633 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.49 -45.3 89.0 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.239 179.819 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.303 -0.873 . . . . 2.7400000000000002 109.266 179.864 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -56.12 -53.99 50.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.544 -0.723 . . . . 0.42999999999999999 109.986 -179.845 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.79 -39.14 52.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.421 -0.799 . . . . 1.6899999999999999 110.121 -179.574 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.95 -51.13 68.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.175 -0.953 . . . . 0.42999999999999999 110.317 -179.305 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.19 -45.7 93.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.138 -0.976 . . . . 0.27000000000000002 109.233 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.5 -42.52 61.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.223 -0.923 . . . . 2.4500000000000002 109.542 179.712 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.18 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.02 . . . . 1.75 109.828 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.51 -37.02 79.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.31 108.761 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.68 -54.36 47.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.22 109.438 179.63 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.46 73.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.377 -0.827 . . . . 1.73 109.776 -179.834 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.79 -56.7 18.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.87 . . . . 0.28000000000000003 110.093 -179.491 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.77 -42.86 98.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.31 109.317 -179.789 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.22 -37.06 74.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.954 . . . . 1.9099999999999999 108.881 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.59 -42.65 98.25 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.508 -0.923 . . . . 0.42999999999999999 108.508 179.484 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.52 -53.83 41.86 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.76 -0.829 . . . . 1.5700000000000001 108.76 179.02 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.23 62.12 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.219 0.533 . . . . 1.4399999999999999 109.613 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.39 85.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.64000000000000001 109.431 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.498 ' NE2' HD21 ' C' ' 350' ' ' LEU . 27.2 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.279 -0.888 . . . . 1.21 109.331 179.946 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.1 -0.704 . . . . 1.7 109.1 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -95.44 153.33 17.75 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.197 -0.94 . . . . 0.60999999999999999 110.021 -179.761 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -140.77 137.25 33.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.866 -0.79 . . . . 0.57999999999999996 108.866 179.256 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.77 163.68 13.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.348 -0.845 . . . . 0.41999999999999998 109.221 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.55 132.92 14.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.35999999999999999 109.866 -179.563 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.85 128.02 34.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.467 -0.938 . . . . 1.3700000000000001 108.467 179.038 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.43 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.625 -0.672 . . . . 0.46999999999999997 110.051 -179.377 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 333' ' ' ARG . 21.3 ttt-85 -75.68 153.31 37.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 2.1000000000000001 109.69 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.13 133.8 2.15 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.202 -1.159 . . . . 0.41999999999999998 110.202 179.381 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -81.16 -50.13 9.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -1.089 . . . . 2.6800000000000002 109.455 179.633 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.09 -40.01 80.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 2.2200000000000002 108.995 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.82 -45.54 92.12 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.625 -0.88 . . . . 2.77 108.625 179.337 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -56.06 -50.11 71.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.599 -0.688 . . . . 0.42999999999999999 109.355 179.457 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.76 -42.19 64.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.119 -179.668 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.57 -49.05 76.81 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.21 -0.931 . . . . 0.44 110.469 -179.141 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.48 -46.22 90.96 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 109.37 -179.66 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.97 -45.29 64.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.198 -0.939 . . . . 2.4399999999999999 109.447 179.699 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.94 -47.62 85.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.74 109.878 -179.822 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.48 -41.81 97.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.29999999999999999 109.296 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.81 -50.35 74.3 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.174 -0.954 . . . . 1.22 109.26 179.538 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.4 -33.64 75.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.385 -0.822 . . . . 1.72 109.595 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.67 -51.0 71.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 0.27000000000000002 109.643 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.12 -43.81 98.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.28999999999999998 109.351 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.87 -35.32 72.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.494 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -65.78 -52.6 49.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.3 -0.875 . . . . 0.40999999999999998 109.209 -179.874 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.7 -35.55 76.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.34 -0.85 . . . . 1.5600000000000001 109.09 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.157 179.771 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.06 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.66000000000000003 109.662 179.932 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.379 -0.826 . . . . 1.1799999999999999 109.865 -179.81 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.126 -0.694 . . . . 1.6100000000000001 109.126 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -95.47 153.26 17.79 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.56999999999999995 109.969 -179.731 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -140.76 137.37 33.35 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.801 -0.814 . . . . 0.53000000000000003 108.801 179.227 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.67 163.93 13.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 0.38 109.223 -179.945 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.8 132.8 14.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.35999999999999999 109.929 -179.681 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -85.81 128.06 34.71 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.46 -0.941 . . . . 1.3600000000000001 108.46 179.047 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.56 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.442 -0.786 . . . . 0.48999999999999999 110.065 -179.412 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' B' ' 333' ' ' ARG . 21.7 ttt-85 -75.65 153.27 37.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.521 -0.737 . . . . 2.1000000000000001 109.766 179.701 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.02 134.04 2.16 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.301 -1.12 . . . . 0.44 110.301 179.453 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.34 -50.2 9.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -1.092 . . . . 2.7200000000000002 109.374 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -40.09 79.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -0.956 . . . . 2.21 108.969 179.7 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.73 -45.63 91.85 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.613 -0.884 . . . . 2.79 108.613 179.384 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.0 -50.05 71.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.64 -0.663 . . . . 0.45000000000000001 109.431 179.463 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.77 -42.27 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.069 -179.71 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.49 -49.15 76.5 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.28 -0.887 . . . . 0.42999999999999999 110.371 -179.099 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -61.56 -46.16 91.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.048 -1.032 . . . . 0.28000000000000003 109.295 -179.54 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.04 -45.2 64.56 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.265 -0.897 . . . . 2.52 109.502 179.725 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.93 -47.76 84.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.75 109.804 -179.819 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.4 -41.74 97.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 0.31 109.331 -179.899 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.82 -50.4 74.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.078 -1.014 . . . . 1.21 109.236 179.507 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.33 -33.68 75.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.364 -0.835 . . . . 1.6899999999999999 109.665 -179.976 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.62 -50.98 71.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.705 -179.77 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.01 -43.83 98.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.253 -0.905 . . . . 0.29999999999999999 109.349 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.03 -35.18 72.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.458 -179.987 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -65.85 -52.55 49.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.40000000000000002 109.219 -179.914 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.8 -35.47 76.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.251 -0.906 . . . . 1.5900000000000001 109.128 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -34.42 66.94 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.193 179.639 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.288 -0.883 . . . . 0.65000000000000002 109.666 179.943 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.117 -0.698 . . . . 2.1099999999999999 109.117 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -95.4 153.28 17.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.197 -0.94 . . . . 0.64000000000000001 109.96 -179.704 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -140.74 137.36 33.38 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.79 -0.818 . . . . 0.48999999999999999 108.79 179.216 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.74 163.92 13.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 0.46999999999999997 109.21 179.987 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.6 tp -151.73 132.85 14.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 0.41999999999999998 109.887 -179.591 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.87 127.97 34.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.427 -0.953 . . . . 1.8100000000000001 108.427 179.077 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.59 115.63 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.42 -0.8 . . . . 0.41999999999999998 110.016 -179.444 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' C' ' 333' ' ' ARG . 21.6 ttt-85 -75.77 153.31 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.448 -0.783 . . . . 2.3500000000000001 109.613 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.1 134.03 2.19 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 110.24 -1.144 . . . . 0.40999999999999998 110.24 179.415 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.38 -50.18 9.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -1.135 . . . . 2.5899999999999999 109.382 179.683 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.05 -40.16 80.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.54 108.923 179.716 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.62 -45.74 91.48 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.6 -0.889 . . . . 3.3900000000000001 108.6 179.391 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -55.97 -50.1 71.73 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.631 -0.668 . . . . 0.46999999999999997 109.404 179.481 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -52.77 -42.19 64.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 110.052 -179.684 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.63 -49.07 76.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.246 -0.909 . . . . 0.60999999999999999 110.411 -179.083 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.5 -46.25 90.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.025 -1.047 . . . . 0.33000000000000002 109.329 -179.638 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.98 -45.28 64.41 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.177 -0.952 . . . . 3.2799999999999998 109.444 179.733 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.93 -47.7 85.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.78 109.84 -179.796 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.38 -41.87 97.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.38 109.271 -179.964 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.8 -50.36 74.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.208 -0.933 . . . . 1.2 109.259 179.629 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.37 -33.59 75.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.424 -0.797 . . . . 2.1200000000000001 109.601 -179.972 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.26000000000000001 109.667 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.04 -43.79 98.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 109.348 179.944 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.98 -35.25 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.895 . . . . 2.0899999999999999 109.433 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -65.79 -52.52 50.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.176 -0.952 . . . . 0.75 109.216 -179.871 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.83 -35.49 76.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.832 . . . . 2.1899999999999999 109.147 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.52 -34.28 66.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.533 -0.73 . . . . 1.3400000000000001 109.228 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.71999999999999997 109.608 179.981 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.15 -0.685 . . . . 1.6699999999999999 109.15 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -95.32 153.21 17.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.148 -0.97 . . . . 0.60999999999999999 110.033 -179.746 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -140.7 137.2 33.31 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.943 -0.762 . . . . 0.56000000000000005 108.943 179.232 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.68 164.0 13.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.205 -179.912 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.75 132.82 14.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.251 -0.905 . . . . 0.34999999999999998 109.889 -179.609 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -85.8 127.99 34.7 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.455 -0.943 . . . . 1.3700000000000001 108.455 179.019 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.61 115.6 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.431 -0.793 . . . . 0.47999999999999998 110.033 -179.481 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.472 HH11 ' HG2' ' D' ' 333' ' ' ARG . 21.4 ttt-85 -75.8 153.37 36.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 2.0800000000000001 109.648 179.747 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.16 133.98 2.2 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.263 -1.135 . . . . 0.40000000000000002 110.263 179.472 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.44 -50.12 9.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -1.147 . . . . 2.6400000000000001 109.392 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.13 -40.02 80.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.935 179.663 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.76 -45.59 91.99 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.589 -0.893 . . . . 2.7400000000000002 108.589 179.35 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.15 -50.03 72.28 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.69 -0.631 . . . . 0.42999999999999999 109.33 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.82 -42.25 64.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 110.031 -179.625 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.49 -49.12 76.63 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.226 -0.922 . . . . 0.42999999999999999 110.392 -179.128 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.51 -46.19 91.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.126 -0.984 . . . . 0.27000000000000002 109.337 -179.581 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.05 -45.26 64.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.197 -0.94 . . . . 2.4500000000000002 109.424 179.726 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.85 -47.75 84.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 1.75 109.857 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.44 -41.69 97.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.953 . . . . 0.31 109.367 -179.924 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.83 -50.47 73.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.218 -0.926 . . . . 1.22 109.199 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.27 -33.81 75.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 1.73 109.592 -179.963 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.57 -50.93 71.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 0.28000000000000003 109.748 -179.733 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.08 -43.87 97.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.31 109.356 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.96 -35.18 72.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 1.9099999999999999 109.499 179.971 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -65.84 -52.51 49.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 109.289 -179.925 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.74 -35.53 76.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 1.5700000000000001 109.111 179.916 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.48 -34.42 66.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.458 -0.776 . . . . 1.4399999999999999 109.206 179.655 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.29 -48.97 63.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.946 . . . . 0.64000000000000001 109.712 179.985 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 1.21 109.829 -179.801 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.267 0.556 . . . . 1.7 109.573 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -92.84 156.01 17.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.232 -0.917 . . . . 0.60999999999999999 109.471 179.826 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.74 -173.57 3.6 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.362 -0.836 . . . . 0.57999999999999996 109.601 -179.697 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.01 148.33 29.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.409 -0.96 . . . . 0.41999999999999998 108.409 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -141.11 133.43 28.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.32 -0.862 . . . . 0.35999999999999999 109.704 -178.572 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -85.06 132.02 34.38 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.411 -0.959 . . . . 1.3700000000000001 108.411 179.043 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 77.9 mt -123.27 109.19 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.457 -0.777 . . . . 0.46999999999999997 109.41 -179.468 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.27 22.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.428 -0.795 . . . . 2.1000000000000001 109.372 179.635 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.62 132.49 4.93 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.691 -1.364 . . . . 0.41999999999999998 109.691 179.843 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.18 -44.3 15.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -1.057 . . . . 2.6800000000000002 109.335 179.728 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.08 -46.24 88.77 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.511 -179.94 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 17.7 ttm-85 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.1 -1.0 . . . . 2.77 109.7 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.15 -54.14 40.15 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.39 -0.818 . . . . 0.42999999999999999 109.359 -179.841 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.63 -38.04 63.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.323 -0.861 . . . . 1.6599999999999999 109.856 -179.932 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.28 -49.71 72.97 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.267 -0.895 . . . . 0.44 110.282 -179.112 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.29 -43.74 95.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.084 -1.01 . . . . 0.28999999999999998 109.133 -179.81 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.1 -43.6 61.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.209 -0.932 . . . . 2.4399999999999999 109.579 179.873 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.77 -45.45 94.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 1.74 109.767 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.3 -45.73 93.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.328 -0.857 . . . . 0.29999999999999999 109.471 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.43 -48.33 82.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.187 -0.946 . . . . 1.22 109.587 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.13 -38.65 92.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.924 . . . . 1.72 109.873 -179.686 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.61 -56.1 26.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.271 -0.893 . . . . 0.27000000000000002 109.994 -179.569 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.28 -40.68 95.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.28999999999999998 109.457 -179.732 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.7 -36.32 80.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 1.9099999999999999 109.346 179.445 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 63.7 tp -62.99 -50.28 71.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.344 -0.848 . . . . 0.40999999999999998 109.132 179.967 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.63 -49.53 72.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.372 -0.83 . . . . 1.5600000000000001 108.909 179.677 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.81 -32.47 70.67 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 1.4299999999999999 109.727 179.76 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.61 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.66000000000000003 110.122 -179.452 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 1.1799999999999999 109.815 -179.648 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.24 0.543 . . . . 1.6100000000000001 109.563 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.9 155.99 17.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.305 -0.872 . . . . 0.56999999999999995 109.375 179.865 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.66 -173.56 3.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.321 -0.862 . . . . 0.53000000000000003 109.63 -179.738 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.01 148.38 29.67 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.373 -0.973 . . . . 0.38 108.373 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.1 133.39 28.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.291 -0.881 . . . . 0.35999999999999999 109.76 -178.628 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.02 132.02 34.39 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.443 -0.947 . . . . 1.3600000000000001 108.443 179.012 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 78.5 mt -123.23 109.19 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.493 -0.754 . . . . 0.48999999999999999 109.407 -179.482 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.45 122.35 22.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.497 -0.752 . . . . 2.1000000000000001 109.304 179.642 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.6 132.5 4.94 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.752 -1.339 . . . . 0.44 109.752 179.795 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -44.29 15.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.396 -1.061 . . . . 2.7200000000000002 109.369 179.769 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.14 -46.15 89.11 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.354 -0.841 . . . . 2.21 109.499 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.464 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 17.8 ttm-85 -66.13 -38.06 87.24 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.115 -0.991 . . . . 2.79 109.632 -179.764 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -53.18 -54.09 40.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.391 -0.818 . . . . 0.45000000000000001 109.365 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.73 -38.05 63.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.6799999999999999 109.814 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.15 -49.82 72.84 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.261 -0.9 . . . . 0.42999999999999999 110.332 -179.207 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.22 -43.73 95.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.063 -1.023 . . . . 0.28000000000000003 109.136 -179.798 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.15 -43.54 61.25 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.312 -0.868 . . . . 2.52 109.6 179.89 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.77 -45.45 94.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 1.75 109.746 -179.809 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.25 -45.83 92.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 0.31 109.395 -179.925 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.38 -48.3 82.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.218 -0.926 . . . . 1.21 109.61 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.19 -38.7 92.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 1.6899999999999999 109.827 -179.677 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -56.12 26.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.27000000000000002 109.97 -179.543 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.19 -40.73 95.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.911 . . . . 0.29999999999999999 109.502 -179.755 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.73 -36.3 80.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.316 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.99 -50.39 70.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.40000000000000002 109.027 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.57 -49.55 72.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.422 -0.798 . . . . 1.5900000000000001 108.939 179.701 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.86 -32.45 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.691 179.816 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.65000000000000002 110.094 -179.443 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.289 0.566 . . . . 2.1099999999999999 109.531 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.95 155.97 17.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -0.927 . . . . 0.64000000000000001 109.423 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.76 -173.67 3.62 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.387 -0.821 . . . . 0.48999999999999999 109.542 -179.696 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -148.94 148.39 29.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.39 -0.967 . . . . 0.46999999999999997 108.39 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.11 133.3 27.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.41999999999999998 109.79 -178.55 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -84.96 131.97 34.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.438 -0.949 . . . . 1.8100000000000001 108.438 179.074 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 78.6 mt -123.25 109.29 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.53 -0.731 . . . . 0.41999999999999998 109.379 -179.499 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.26 22.77 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.514 -0.741 . . . . 2.3500000000000001 109.32 179.67 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.57 132.57 4.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.719 -1.352 . . . . 0.40999999999999998 109.719 179.81 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.568 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -44.35 15.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -1.084 . . . . 2.5899999999999999 109.31 179.772 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.01 -46.19 88.82 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.361 -0.837 . . . . 2.54 109.583 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 17.9 ttm-85 -66.07 -38.12 87.51 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.127 -0.983 . . . . 3.3900000000000001 109.692 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.14 -54.09 40.89 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.385 -0.822 . . . . 0.46999999999999997 109.408 -179.873 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -53.76 -37.97 63.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 1.6599999999999999 109.834 -179.928 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.18 -49.87 72.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.269 -0.894 . . . . 0.60999999999999999 110.333 -179.273 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.2 -43.75 95.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.33000000000000002 109.177 -179.82 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.14 -43.51 61.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.205 -0.934 . . . . 3.2799999999999998 109.574 179.884 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.8 -45.44 94.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 1.78 109.732 -179.785 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.4 -45.71 93.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.38 109.365 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -59.49 -48.22 82.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.2 109.582 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.17 -38.83 92.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 2.1200000000000001 109.87 -179.751 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.4 -56.14 26.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.26000000000000001 109.992 -179.603 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.24 -40.72 95.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.262 -0.899 . . . . 0.40000000000000002 109.444 -179.724 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.74 -36.27 80.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.34 179.518 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.91 -50.35 71.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.343 -0.848 . . . . 0.75 109.181 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.6 -49.52 73.01 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.437 -0.789 . . . . 2.1899999999999999 108.951 179.726 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.79 -32.52 70.7 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.584 -0.698 . . . . 1.3400000000000001 109.686 179.808 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 0.71999999999999997 110.082 -179.432 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.536 -0.542 . . . . 1.6699999999999999 109.536 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.9 156.11 17.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.297 -0.877 . . . . 0.60999999999999999 109.418 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.81 -173.58 3.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.64 -179.711 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.03 148.32 29.58 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.391 -0.966 . . . . 0.42999999999999999 108.391 179.947 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.0 tp -141.07 133.4 28.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.34999999999999998 109.749 -178.549 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.04 131.96 34.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.417 -0.957 . . . . 1.3700000000000001 108.417 179.081 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 78.3 mt -123.23 109.2 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.424 -0.798 . . . . 0.47999999999999998 109.362 -179.431 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.53 122.28 22.85 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.475 -0.766 . . . . 2.0800000000000001 109.355 179.611 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.64 132.56 4.94 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 109.716 -1.353 . . . . 0.40000000000000002 109.716 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.576 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.28 -44.32 15.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -1.08 . . . . 2.6400000000000001 109.296 179.829 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.03 -46.14 88.97 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.602 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.457 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 17.8 ttm-85 -66.12 -38.12 87.38 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.095 -1.003 . . . . 2.7400000000000002 109.638 -179.804 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.18 -54.08 41.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.443 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.68 -37.98 63.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.852 -179.991 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.27 -49.77 72.75 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 110.305 -179.158 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.23 -43.72 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.11 -0.994 . . . . 0.27000000000000002 109.119 -179.819 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.24 -43.39 61.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.212 -0.93 . . . . 2.4500000000000002 109.565 179.94 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.82 -45.5 94.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.75 109.698 -179.833 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.26 -45.87 92.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.202 -0.936 . . . . 0.31 109.35 -179.896 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.38 -48.37 81.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.858 . . . . 1.22 109.584 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.13 -38.67 92.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.73 109.877 -179.716 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.6 -56.08 26.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.28000000000000003 109.987 -179.589 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.3 -40.67 95.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.31 109.461 -179.709 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.74 -36.28 80.55 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.264 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.96 -50.39 70.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.42999999999999999 109.12 179.908 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.55 -49.54 73.03 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.428 -0.795 . . . . 1.5700000000000001 108.974 179.653 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.82 -32.51 70.72 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.621 -0.674 . . . . 1.4399999999999999 109.671 179.799 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.66 82.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.325 -0.859 . . . . 0.64000000000000001 110.086 -179.436 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.128 -0.982 . . . . 1.21 109.808 -179.634 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.593 -0.521 . . . . 1.7 109.593 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -94.27 157.52 16.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.271 -0.893 . . . . 0.60999999999999999 109.65 179.872 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.5 -168.67 2.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.477 -0.765 . . . . 0.57999999999999996 109.289 -179.813 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.61 148.94 28.57 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.638 -0.875 . . . . 0.41999999999999998 108.638 179.928 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -142.8 135.06 27.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.254 -0.904 . . . . 0.35999999999999999 109.739 -178.722 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.94 130.1 34.69 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.433 -0.951 . . . . 1.3700000000000001 108.433 179.157 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.35 110.73 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.48 -0.763 . . . . 0.46999999999999997 109.246 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.66 145.65 43.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.596 -0.69 . . . . 2.1000000000000001 110.06 -179.662 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.09 127.0 2.92 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.135 -1.186 . . . . 0.41999999999999998 110.135 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.69 -40.96 69.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.322 -1.105 . . . . 2.6800000000000002 109.211 179.468 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -58.35 -47.44 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.473 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.55 -40.56 97.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.245 -0.909 . . . . 2.77 109.499 179.931 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.32 -54.57 41.9 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.516 -0.74 . . . . 0.42999999999999999 109.911 -179.765 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.61 -42.15 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 1.6599999999999999 109.921 -179.623 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.35 -50.09 71.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.21 -0.931 . . . . 0.44 110.419 -179.305 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.1 -45.01 96.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.28999999999999998 109.084 -179.73 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 346' ' ' GLU . 13.5 ttm180 -51.95 -43.23 63.4 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.333 -0.854 . . . . 2.4399999999999999 109.743 179.835 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -61.31 -44.32 97.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.28 -0.888 . . . . 1.74 110.135 -179.395 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.75 -40.81 93.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.166 -0.959 . . . . 0.29999999999999999 109.396 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.97 -53.98 52.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.22 109.661 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 2.0 mp0 -62.77 -38.1 89.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.912 . . . . 1.72 109.612 -179.725 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.88 53.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 109.831 -179.672 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.08 -45.4 93.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.889 . . . . 0.28999999999999998 109.406 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.35 -34.27 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 1.9099999999999999 109.303 179.789 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.86 -45.04 91.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.309 -0.87 . . . . 0.40999999999999998 109.273 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -63.76 -48.38 77.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 1.5600000000000001 108.832 179.306 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.8 -31.68 64.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.694 -0.628 . . . . 1.4299999999999999 109.488 179.762 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.41 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 0.66000000000000003 109.662 -179.837 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 1.1799999999999999 109.571 -179.885 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.247 0.546 . . . . 1.6100000000000001 109.619 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.29 157.59 15.97 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.255 -0.903 . . . . 0.56999999999999995 109.595 179.909 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.58 -168.73 2.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.46 -0.775 . . . . 0.53000000000000003 109.246 -179.809 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.59 149.1 28.78 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.932 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.91 134.98 27.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.295 -0.878 . . . . 0.35999999999999999 109.703 -178.646 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.89 130.06 34.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.493 -0.929 . . . . 1.3600000000000001 108.493 179.123 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.32 110.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.403 -0.811 . . . . 0.48999999999999999 109.325 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.52 145.61 43.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 2.1000000000000001 110.086 -179.656 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 127.0 2.9 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.21 -1.156 . . . . 0.44 110.21 179.597 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.78 -40.93 68.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -1.087 . . . . 2.7200000000000002 109.187 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.28 -47.4 83.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.278 -0.889 . . . . 2.21 109.537 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.58 -40.61 97.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.272 -0.892 . . . . 2.79 109.492 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.27 -54.68 40.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 0.45000000000000001 109.86 -179.705 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.49 -42.11 63.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.917 -179.57 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.46 -50.17 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.334 -0.854 . . . . 0.42999999999999999 110.314 -179.237 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.02 -44.97 96.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.01 -1.056 . . . . 0.28000000000000003 109.139 -179.727 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' B' ' 346' ' ' GLU . 13.5 ttm180 -51.99 -43.2 63.49 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.31 -0.869 . . . . 2.52 109.756 179.88 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.26 -44.37 97.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.208 -0.933 . . . . 1.75 110.204 -179.497 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.66 -40.85 93.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.31 109.344 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.98 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 1.21 109.629 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.17 89.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.6899999999999999 109.639 -179.703 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.92 52.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.27000000000000002 109.834 -179.693 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.96 -45.61 92.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.29999999999999999 109.353 -179.861 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.28 -34.29 72.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.9299999999999999 109.263 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.88 -45.18 90.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.40000000000000002 109.24 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.6 -48.38 77.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.5900000000000001 108.814 179.357 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.75 -31.74 64.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.653 -0.655 . . . . 1.4299999999999999 109.521 179.788 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.892 . . . . 0.65000000000000002 109.613 -179.845 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.235 0.54 . . . . 2.1099999999999999 109.575 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -94.26 157.48 16.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.225 -0.922 . . . . 0.64000000000000001 109.628 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.52 -168.69 2.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.397 -0.815 . . . . 0.48999999999999999 109.325 -179.89 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.63 148.9 28.51 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.595 -0.891 . . . . 0.46999999999999997 108.595 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.77 134.98 27.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.41999999999999998 109.737 -178.648 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -84.86 130.01 34.72 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.509 -0.922 . . . . 1.8100000000000001 108.509 179.112 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.39 110.83 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.459 -0.775 . . . . 0.41999999999999998 109.213 -179.668 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.73 145.67 42.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.68 -0.638 . . . . 2.3500000000000001 109.99 -179.633 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.06 127.11 2.94 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.106 -1.198 . . . . 0.40999999999999998 110.106 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -71.86 -40.92 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.43 -1.041 . . . . 2.5899999999999999 109.158 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.31 -47.45 83.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.85 . . . . 2.54 109.439 -179.987 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.57 -40.64 97.52 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.27 -0.894 . . . . 3.3900000000000001 109.415 -179.978 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.29 -54.57 41.82 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.483 -0.761 . . . . 0.46999999999999997 109.916 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.57 -42.15 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.922 -179.634 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -50.11 71.21 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.286 -0.884 . . . . 0.60999999999999999 110.385 -179.295 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.1 -45.04 96.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.138 -0.976 . . . . 0.33000000000000002 109.037 -179.703 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.412 ' O ' ' OE1' ' C' ' 346' ' ' GLU . 13.5 ttm180 -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.313 -0.867 . . . . 3.2799999999999998 109.755 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.2 -44.34 97.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.136 -0.977 . . . . 1.78 110.185 -179.505 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.38 109.36 -179.769 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -59.17 -53.89 53.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 1.2 109.597 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.14 89.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.661 -179.784 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.79 54.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.26000000000000001 109.801 -179.616 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.04 -45.65 92.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 0.40000000000000002 109.335 -179.881 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -34.34 72.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.306 179.849 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.78 -45.18 90.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 0.75 109.303 179.946 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.64 -48.37 77.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.259 -0.901 . . . . 2.1899999999999999 108.856 179.339 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.73 -31.82 64.91 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.671 -0.643 . . . . 1.3400000000000001 109.516 179.754 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.71999999999999997 109.666 -179.869 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.176 0.512 . . . . 1.6699999999999999 109.631 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.27 157.43 16.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.259 -0.9 . . . . 0.60999999999999999 109.61 179.878 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.48 -168.72 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.456 -0.777 . . . . 0.56000000000000005 109.318 -179.867 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.62 149.0 28.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.283 -0.885 . . . . 0.42999999999999999 108.62 179.93 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -142.81 134.94 27.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.34999999999999998 109.735 -178.62 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.85 130.03 34.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.596 -0.89 . . . . 1.3700000000000001 108.596 179.084 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.37 110.69 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.5 -0.75 . . . . 0.47999999999999998 109.25 -179.555 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.62 145.6 43.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.649 -0.657 . . . . 2.0800000000000001 109.99 -179.607 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.15 127.08 2.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.083 -1.207 . . . . 0.40000000000000002 110.083 179.519 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.83 -40.95 68.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.369 -1.077 . . . . 2.6400000000000001 109.162 179.477 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.34 -47.41 83.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 2.2200000000000002 109.492 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -62.61 -40.59 97.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.24 -0.913 . . . . 2.7400000000000002 109.41 -179.996 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.31 -54.54 42.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.53 -0.731 . . . . 0.42999999999999999 109.94 -179.711 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.53 -42.1 64.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.944 -179.702 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.5 -50.07 71.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.214 -0.929 . . . . 0.42999999999999999 110.342 -179.218 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.08 -45.02 96.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.006 . . . . 0.27000000000000002 109.048 -179.687 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' D' ' 346' ' ' GLU . 13.5 ttm180 -52.0 -43.29 63.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.196 -0.94 . . . . 2.4500000000000002 109.714 179.931 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.06 -44.42 97.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.18 -0.95 . . . . 1.75 110.259 -179.515 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.8 -40.71 93.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.065 -1.022 . . . . 0.31 109.374 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -59.05 -53.93 52.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.22 109.661 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 2.0 mp0 -62.75 -38.12 89.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.73 109.614 -179.726 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.7 55.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.28000000000000003 109.855 -179.628 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.06 -45.44 93.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.239 -0.913 . . . . 0.31 109.392 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.4 -34.25 72.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.286 179.855 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.91 -45.08 90.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.243 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.74 -48.37 77.28 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.318 -0.864 . . . . 1.5700000000000001 108.758 179.401 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.72 -31.8 64.87 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.727 -0.608 . . . . 1.4399999999999999 109.463 179.757 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -44.43 79.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 0.64000000000000001 109.653 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 1.21 109.632 -179.927 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.521 -0.548 . . . . 1.7 109.521 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.9 152.5 19.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 0.60999999999999999 110.153 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -141.49 137.3 31.99 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.722 -0.844 . . . . 0.57999999999999996 108.722 178.92 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -93.72 163.76 13.41 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.41999999999999998 109.119 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.24 130.78 14.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 0.35999999999999999 110.038 -179.209 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.51 34.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.651 -0.87 . . . . 1.3700000000000001 108.651 179.377 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.28 115.63 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 109.706 -179.377 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.26 156.95 33.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.447 -0.783 . . . . 2.1000000000000001 109.777 179.675 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.8 138.9 2.29 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.348 -1.101 . . . . 0.41999999999999998 110.348 179.331 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.42 -48.93 9.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -1.065 . . . . 2.6800000000000002 109.395 179.69 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.08 -39.88 79.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -0.92 . . . . 2.2200000000000002 109.101 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.94 -43.05 99.21 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.416 -0.802 . . . . 2.77 109.386 179.829 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.52 -56.0 25.31 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.544 -0.723 . . . . 0.42999999999999999 109.863 -179.808 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.25 -38.61 41.63 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.224 -0.923 . . . . 1.6599999999999999 109.917 -179.565 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.3 -53.98 40.41 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.126 -0.984 . . . . 0.44 110.476 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.56 -43.26 99.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.017 -1.052 . . . . 0.28999999999999998 109.187 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.67 -44.5 63.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.196 -0.94 . . . . 2.4399999999999999 109.208 179.454 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.9 -43.95 97.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.74 109.865 -179.874 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.78 -40.84 94.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 0.29999999999999999 109.242 -179.96 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.41 -54.77 43.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.925 . . . . 1.22 109.443 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.64 -33.72 75.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.892 . . . . 1.72 109.509 -179.8 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.78 -56.33 23.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.327 -0.858 . . . . 0.27000000000000002 109.847 -179.613 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.5 -45.21 95.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.28999999999999998 109.485 -179.865 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.82 -34.19 72.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 1.9099999999999999 109.462 179.965 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.31 -50.08 69.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.40999999999999998 109.336 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.37 -47.17 83.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 1.5600000000000001 109.051 179.867 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.8 -31.68 66.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.552 -0.718 . . . . 1.4299999999999999 109.474 179.679 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.88 78.59 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.66000000000000003 109.654 -179.831 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.514 HE22 HD11 ' B' ' 350' ' ' LEU . 72.4 mt-30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.1799999999999999 109.239 -179.948 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.6 -0.519 . . . . 1.6100000000000001 109.6 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -98.86 152.48 19.7 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.185 -0.947 . . . . 0.56999999999999995 110.074 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -141.57 137.31 31.87 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.694 -0.854 . . . . 0.53000000000000003 108.694 178.929 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -93.74 163.95 13.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.335 -0.853 . . . . 0.38 109.066 -179.912 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.38 130.74 14.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.35999999999999999 110.087 -179.228 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.15 128.43 34.66 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.642 -0.873 . . . . 1.3600000000000001 108.642 179.381 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.25 115.64 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.541 -0.724 . . . . 0.48999999999999999 109.706 -179.44 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.24 156.95 33.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.429 -0.795 . . . . 2.1000000000000001 109.812 179.633 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.81 138.79 2.27 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.349 -1.1 . . . . 0.44 110.349 179.359 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.31 -48.93 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -1.09 . . . . 2.7200000000000002 109.386 179.713 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.21 -39.68 79.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 2.21 109.095 179.879 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.02 99.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.407 -0.808 . . . . 2.79 109.391 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.46 -56.18 23.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.568 -0.708 . . . . 0.45000000000000001 109.805 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.69 40.06 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 1.6799999999999999 109.964 -179.542 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.32 -53.91 41.47 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.162 -0.961 . . . . 0.42999999999999999 110.552 -179.266 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.65 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.058 -1.026 . . . . 0.28000000000000003 109.183 -179.575 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.222 -0.924 . . . . 2.52 109.152 179.456 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.05 -43.85 98.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 1.75 109.851 -179.825 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.75 94.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.31 109.262 -179.959 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.43 -54.7 44.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 1.21 109.513 179.792 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.69 -33.75 75.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.6899999999999999 109.48 -179.897 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.26 24.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.27000000000000002 109.951 -179.652 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.49 -45.31 94.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.29999999999999999 109.462 -179.879 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.75 -34.24 72.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 1.9299999999999999 109.494 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.514 HD11 HE22 ' A' ' 354' ' ' GLN . 44.9 tp -64.21 -50.03 69.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.277 -0.89 . . . . 0.40000000000000002 109.398 -179.883 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.43 -47.13 83.19 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 1.5900000000000001 109.009 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.83 -31.76 66.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 109.454 179.693 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.612 -179.779 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.576 -0.527 . . . . 2.1099999999999999 109.576 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -98.92 152.51 19.69 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.64000000000000001 110.081 -179.936 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.56 137.3 31.86 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.721 -0.844 . . . . 0.48999999999999999 108.721 178.891 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -93.7 163.87 13.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.318 -0.864 . . . . 0.46999999999999997 109.105 -179.971 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.29 130.69 14.73 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.115 -0.991 . . . . 0.41999999999999998 110.113 -179.197 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.12 128.48 34.67 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.597 -0.89 . . . . 1.8100000000000001 108.597 179.395 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.31 115.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.463 -0.773 . . . . 0.41999999999999998 109.752 -179.459 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.28 156.95 33.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.449 -0.782 . . . . 2.3500000000000001 109.77 179.762 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.76 138.93 2.28 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.337 -1.105 . . . . 0.40999999999999998 110.337 179.344 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -83.47 -48.84 9.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.345 -1.091 . . . . 2.5899999999999999 109.395 179.702 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.15 -39.86 79.9 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.213 -0.929 . . . . 2.54 109.134 179.776 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.89 -43.15 98.87 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 3.3900000000000001 109.329 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.51 -56.05 24.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.728 . . . . 0.46999999999999997 109.83 -179.758 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.72 40.11 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 110.006 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.29 -53.89 41.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.22 -0.925 . . . . 0.60999999999999999 110.486 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.61 -43.21 99.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.055 -1.028 . . . . 0.33000000000000002 109.211 -179.595 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -51.83 -44.41 63.55 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 109.127 179.539 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.88 -43.92 97.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.78 109.924 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.81 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.38 109.195 -179.907 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.37 -54.77 43.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.194 -0.941 . . . . 1.2 109.47 179.854 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.489 ' N ' ' OE1' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.76 -33.68 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.1200000000000001 109.435 -179.774 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -56.3 23.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.26000000000000001 109.973 -179.678 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.5 -45.32 94.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.426 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.74 -34.18 72.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.239 -0.913 . . . . 2.0899999999999999 109.447 -179.984 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.603 HD11 HE22 ' D' ' 354' ' ' GLN . 44.7 tp -64.24 -50.12 69.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.343 -0.848 . . . . 0.75 109.391 -179.896 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.31 -47.19 83.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 2.1899999999999999 109.056 179.816 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.82 -31.77 66.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.56 -0.712 . . . . 1.3400000000000001 109.41 179.743 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 0.71999999999999997 109.68 -179.823 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.571 -0.529 . . . . 1.6699999999999999 109.571 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -98.89 152.44 19.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.231 -0.918 . . . . 0.60999999999999999 110.131 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -141.51 137.36 32.02 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.713 -0.847 . . . . 0.56000000000000005 108.713 178.901 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -93.72 163.97 13.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 0.42999999999999999 109.109 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.35 130.76 14.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.34999999999999998 110.015 -179.217 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.48 34.68 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.673 -0.862 . . . . 1.3700000000000001 108.673 179.319 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.29 115.59 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.551 -0.718 . . . . 0.47999999999999998 109.711 -179.408 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.26 156.95 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.419 -0.801 . . . . 2.0800000000000001 109.797 179.689 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.86 138.74 2.28 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.301 -1.12 . . . . 0.40000000000000002 110.301 179.293 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.25 -48.86 10.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.373 -1.075 . . . . 2.6400000000000001 109.453 179.734 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.25 -39.7 79.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 2.2200000000000002 109.092 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.0 99.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.419 -0.801 . . . . 2.7400000000000002 109.395 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.5 -56.13 23.82 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.563 -0.71 . . . . 0.42999999999999999 109.854 -179.863 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.1 -38.68 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.961 -179.614 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.37 -53.9 41.37 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.193 -0.942 . . . . 0.42999999999999999 110.475 -179.177 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -43.24 99.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.049 -1.032 . . . . 0.27000000000000002 109.185 -179.596 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.74 -44.41 63.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.243 -0.911 . . . . 2.4500000000000002 109.186 179.511 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.93 -43.88 98.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.75 109.869 -179.869 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.84 -40.82 94.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.933 . . . . 0.31 109.175 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.36 -54.77 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -0.92 . . . . 1.22 109.476 179.839 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.79 -33.73 75.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.343 -0.848 . . . . 1.73 109.429 -179.74 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -56.19 25.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.28000000000000003 109.944 -179.632 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.53 -45.16 95.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.31 109.516 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.92 -34.18 72.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.426 -179.987 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.17 -50.15 69.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.42999999999999999 109.376 -179.94 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.36 -47.2 83.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.863 . . . . 1.5700000000000001 108.973 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.73 -31.84 66.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 1.4399999999999999 109.483 179.727 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.88 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 0.64000000000000001 109.665 -179.807 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.603 HE22 HD11 ' C' ' 350' ' ' LEU . 72.5 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.92 . . . . 1.21 109.353 179.953 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.195 -0.668 . . . . 1.7 109.195 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -96.79 148.99 22.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.131 -0.981 . . . . 0.60999999999999999 109.838 -179.934 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.53 140.75 35.28 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.373 -0.829 . . . . 0.57999999999999996 108.921 179.466 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -98.19 165.08 12.05 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.303 -0.873 . . . . 0.41999999999999998 109.332 -179.949 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -150.41 133.01 15.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.275 -0.891 . . . . 0.35999999999999999 109.952 -179.463 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.73 126.57 34.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.382 -0.824 . . . . 1.3700000000000001 108.872 179.353 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.93 114.59 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.462 -0.774 . . . . 0.46999999999999997 109.871 -179.632 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.11 154.31 35.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 2.1000000000000001 109.657 179.625 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.53 4.16 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.169 -1.172 . . . . 0.41999999999999998 110.169 179.418 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -84.23 -51.08 7.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -1.076 . . . . 2.6800000000000002 109.379 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.25 -40.92 78.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.125 179.84 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.17 -45.69 90.64 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.683 -0.858 . . . . 2.77 108.683 179.487 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.72 -52.65 64.15 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.647 -0.658 . . . . 0.42999999999999999 109.259 179.434 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.57 -40.15 62.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 1.6599999999999999 109.866 -179.73 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 24.3 ttp -62.71 -50.33 71.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.321 -0.862 . . . . 0.44 110.229 -179.577 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.08 -44.96 96.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.19 -0.944 . . . . 0.28999999999999998 109.148 -179.74 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.58 60.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 2.4399999999999999 109.261 179.764 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -61.33 -52.76 63.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.74 109.868 -179.646 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.22 -35.75 76.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.096 -1.003 . . . . 0.29999999999999999 108.675 179.788 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.74 -57.6 12.3 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.46 -0.775 . . . . 1.22 109.387 179.522 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 1.72 109.573 179.962 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.46 -51.62 69.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.337 -0.852 . . . . 0.27000000000000002 110.138 -179.447 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.77 -46.51 89.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.28999999999999998 109.428 -179.741 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.146 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -65.38 -51.86 57.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.085 179.902 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.27 -37.99 85.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.276 -0.89 . . . . 1.5600000000000001 108.946 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -55.73 -36.83 67.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.67 -0.644 . . . . 1.4299999999999999 109.294 179.784 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.15 73.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.446 -0.784 . . . . 0.66000000000000003 109.556 179.905 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 1.1799999999999999 109.656 -179.843 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.209 -0.663 . . . . 1.6100000000000001 109.209 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.85 148.86 22.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.202 -0.936 . . . . 0.56999999999999995 109.893 -179.916 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.49 140.68 35.36 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.455 -0.778 . . . . 0.53000000000000003 108.921 179.526 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.12 164.95 12.12 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.342 -0.848 . . . . 0.38 109.322 -179.896 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.29 133.04 15.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.94 . . . . 0.35999999999999999 110.0 -179.544 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.77 126.55 34.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 1.3600000000000001 108.932 179.337 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.96 114.56 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.418 -0.801 . . . . 0.48999999999999999 109.868 -179.572 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.455 -0.778 . . . . 2.1000000000000001 109.727 179.606 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.46 4.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.127 -1.189 . . . . 0.44 110.127 179.412 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -84.15 -51.04 7.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -1.082 . . . . 2.7200000000000002 109.408 179.671 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.1 78.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 2.21 109.074 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.06 -45.71 90.92 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.711 -0.848 . . . . 2.79 108.711 179.508 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.66 -52.67 64.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.277 -0.638 . . . . 0.45000000000000001 109.277 179.428 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.16 62.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 1.6799999999999999 109.842 -179.71 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.3 ttp -62.73 -50.32 71.57 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.42999999999999999 110.234 -179.563 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.19 -44.83 96.67 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.247 -0.908 . . . . 0.28000000000000003 109.165 -179.751 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.65 60.27 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.167 -0.958 . . . . 2.52 109.234 179.703 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.29 -52.71 63.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 1.75 109.901 -179.612 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.27 -35.7 76.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.31 108.741 179.726 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.77 -57.64 12.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.471 -0.768 . . . . 1.21 109.382 179.476 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.57 -31.42 72.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.629 179.97 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.56 -51.47 69.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.27000000000000002 110.147 -179.475 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.79 -46.43 89.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.076 -1.015 . . . . 0.29999999999999999 109.481 -179.808 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -58.54 -34.0 70.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 1.9299999999999999 109.045 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -65.34 -51.87 57.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.363 -0.835 . . . . 0.40000000000000002 109.147 179.828 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.2 -38.18 85.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.84 . . . . 1.5900000000000001 108.892 179.739 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.56 -36.91 67.34 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.273 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.38 -0.825 . . . . 0.65000000000000002 109.545 179.954 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.173 -0.677 . . . . 2.1099999999999999 109.173 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.79 149.03 22.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 0.64000000000000001 109.774 -179.898 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -140.62 140.7 35.11 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -0.76 . . . . 0.48999999999999999 108.963 179.423 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.15 165.08 12.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.402 -0.811 . . . . 0.46999999999999997 109.242 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -150.43 132.95 15.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.977 . . . . 0.41999999999999998 110.003 -179.512 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.68 126.55 34.03 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.895 -0.78 . . . . 1.8100000000000001 108.895 179.356 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.6 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.617 -0.677 . . . . 0.41999999999999998 109.861 -179.69 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.33 -0.856 . . . . 2.3500000000000001 109.662 179.582 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.56 4.14 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.079 -1.208 . . . . 0.40999999999999998 110.079 179.366 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.31 -51.03 7.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.24 -1.153 . . . . 2.5899999999999999 109.364 179.725 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.04 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.336 -0.853 . . . . 2.54 109.114 179.839 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.02 -45.78 90.68 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.736 -0.839 . . . . 3.3900000000000001 108.736 179.437 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -56.58 -52.73 63.69 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.614 -0.679 . . . . 0.46999999999999997 109.245 179.435 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.18 62.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.436 -0.79 . . . . 1.6599999999999999 109.815 -179.633 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.2 ttp -62.69 -50.26 71.87 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.339 -0.851 . . . . 0.60999999999999999 110.269 -179.574 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.21 -44.88 96.57 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.188 -0.945 . . . . 0.33000000000000002 109.165 -179.736 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.15 -41.63 60.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.156 -0.965 . . . . 3.2799999999999998 109.206 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -61.19 -52.87 62.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 1.78 109.855 -179.638 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.17 -35.75 76.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.38 108.703 179.794 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.86 -57.57 12.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.546 -0.721 . . . . 1.2 109.319 179.581 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.58 -31.44 72.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.593 -179.972 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -51.54 69.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.351 -0.843 . . . . 0.26000000000000001 110.106 -179.474 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.82 -46.45 89.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.046 -1.034 . . . . 0.40000000000000002 109.432 -179.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.37 -34.06 70.28 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.163 179.821 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -65.36 -51.78 58.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.345 -0.847 . . . . 0.75 109.144 179.885 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -61.23 -38.13 85.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 2.1899999999999999 109.006 179.612 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.72 -36.74 67.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.363 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.339 -0.85 . . . . 0.71999999999999997 109.632 179.824 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.119 -0.697 . . . . 1.6699999999999999 109.119 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.74 149.02 22.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.179 -0.951 . . . . 0.60999999999999999 109.872 -179.947 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.56 140.72 35.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.31 -0.869 . . . . 0.56000000000000005 108.932 179.475 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -98.17 165.07 12.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.42999999999999999 109.29 -179.939 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.35 133.05 15.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.34999999999999998 109.957 -179.505 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.9 126.66 34.25 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.349 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.56 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.603 -0.686 . . . . 0.47999999999999998 109.895 -179.593 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.08 154.23 35.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 2.0800000000000001 109.758 179.62 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.78 138.55 4.2 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.131 -1.188 . . . . 0.40000000000000002 110.131 179.451 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.24 -51.11 7.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -1.08 . . . . 2.6400000000000001 109.384 179.628 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.21 -41.05 78.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.889 . . . . 2.2200000000000002 109.085 179.914 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.05 -45.77 90.67 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.66 -0.867 . . . . 2.7400000000000002 108.66 179.47 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.63 -52.71 63.84 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.646 -0.659 . . . . 0.42999999999999999 109.246 179.498 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.55 -40.23 62.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -0.772 . . . . 1.6899999999999999 109.752 -179.644 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 24.2 ttp -62.68 -50.33 71.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.35 -0.843 . . . . 0.42999999999999999 110.278 -179.525 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.14 -44.86 96.67 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.187 -0.946 . . . . 0.27000000000000002 109.179 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -51.2 -41.54 60.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.15 -0.969 . . . . 2.4500000000000002 109.282 179.737 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.31 -52.78 63.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 1.75 109.843 -179.66 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.27 -35.67 76.06 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.205 -0.934 . . . . 0.31 108.658 179.826 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.8 -57.65 12.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.432 -0.792 . . . . 1.22 109.337 179.531 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.57 -31.46 72.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 1.73 109.601 -179.999 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.48 -51.55 69.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 0.28000000000000003 110.188 -179.503 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.75 -46.65 88.72 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.127 -0.983 . . . . 0.31 109.414 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.3 -34.08 70.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.112 179.863 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -65.41 -51.71 58.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.36 -0.837 . . . . 0.42999999999999999 109.189 179.887 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.22 -38.15 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 1.5700000000000001 108.943 179.636 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.66 -36.75 67.42 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.616 -0.677 . . . . 1.4399999999999999 109.325 179.807 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.16 73.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.64000000000000001 109.47 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 1.21 109.608 -179.828 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.379 -0.601 . . . . 1.7 109.379 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.51 148.62 22.63 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.60999999999999999 110.23 -179.751 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.5 137.15 35.26 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.64 -0.874 . . . . 0.57999999999999996 108.64 179.083 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.6 166.15 12.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.41999999999999998 109.313 -179.692 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.1 tp -149.79 129.28 13.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.35999999999999999 109.693 -179.581 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.7 125.59 32.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.374 -0.828 . . . . 1.3700000000000001 108.943 179.73 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -124.43 115.84 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.582 -0.699 . . . . 0.46999999999999997 109.701 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -76.42 158.26 31.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 2.1000000000000001 109.766 179.408 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.03 1.75 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.293 -1.123 . . . . 0.41999999999999998 110.293 179.364 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 335' ' ' ARG . 0.0 OUTLIER -83.14 -47.29 11.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.358 -1.084 . . . . 2.6800000000000002 108.995 179.639 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.14 -43.5 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.369 179.854 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' C' ' 352' ' ' ASP . 42.7 ttm180 -62.43 -42.95 99.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.398 -0.814 . . . . 2.77 109.196 179.726 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -55.39 -50.0 70.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.525 -0.735 . . . . 0.42999999999999999 109.498 179.687 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.44 -39.61 61.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 110.086 -179.632 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.05 -49.12 77.26 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.267 -0.896 . . . . 0.44 110.251 -179.282 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.64 -44.56 96.26 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.175 -0.953 . . . . 0.28999999999999998 109.25 -179.713 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.89 -42.75 59.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.913 . . . . 2.4399999999999999 109.458 179.632 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.03 -51.42 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 1.74 109.709 -179.882 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.8 -37.44 81.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 0.29999999999999999 108.952 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.52 -54.69 44.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.323 -0.86 . . . . 1.22 109.213 179.514 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -63.18 -32.92 74.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 1.72 109.687 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -55.05 40.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 0.27000000000000002 110.093 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 0.28999999999999998 109.556 -179.712 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -59.24 -35.77 74.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.9099999999999999 109.654 -179.91 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.24 -49.82 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 0.40999999999999998 109.408 -179.841 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.74 -46.7 86.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 1.5600000000000001 109.101 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . 0.439 ' CG ' HH22 ' C' ' 337' ' ' ARG . 2.6 m-20 -57.7 -30.9 65.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.433 179.613 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.92 -45.68 73.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.66000000000000003 110.17 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.493 1.7 0 O-C-N 121.158 -0.964 . . . . 1.1799999999999999 109.8 -179.603 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.374 -0.602 . . . . 1.6100000000000001 109.374 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -96.53 148.58 22.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.25 -0.906 . . . . 0.56999999999999995 110.234 -179.766 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.44 137.15 35.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.61 -0.885 . . . . 0.53000000000000003 108.61 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.57 166.4 12.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.329 -0.857 . . . . 0.38 109.342 -179.728 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -150.04 129.15 12.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.35999999999999999 109.665 -179.593 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.62 125.54 32.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.844 . . . . 1.3600000000000001 109.031 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -124.37 115.75 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.557 -0.714 . . . . 0.48999999999999999 109.744 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -76.43 158.28 31.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.852 . . . . 2.1000000000000001 109.788 179.447 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.29 135.13 1.73 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.268 -1.133 . . . . 0.44 110.268 179.442 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.35 11.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -1.023 . . . . 2.7200000000000002 109.024 179.631 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.19 -43.39 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 2.21 109.411 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.503 HH22 ' CG ' ' D' ' 352' ' ' ASP . 42.7 ttm180 -62.47 -42.99 99.87 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.249 -0.907 . . . . 2.79 109.183 179.699 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.33 -50.05 70.61 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.542 -0.724 . . . . 0.45000000000000001 109.477 179.667 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.47 -39.55 61.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 1.6799999999999999 110.02 -179.617 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.09 -49.13 77.15 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.257 -0.902 . . . . 0.42999999999999999 110.234 -179.24 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.68 -44.54 96.37 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.28000000000000003 109.265 -179.706 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.84 -42.84 58.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.923 . . . . 2.52 109.442 179.601 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.29 69.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.939 . . . . 1.75 109.688 -179.821 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.87 -37.43 82.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.31 108.948 179.867 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.57 -54.61 45.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 1.21 109.264 179.498 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.23 -32.9 74.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -0.86 . . . . 1.6899999999999999 109.647 179.866 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -55.05 40.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 0.27000000000000002 110.142 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.09 -43.87 98.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 0.29999999999999999 109.598 -179.765 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.18 -35.8 74.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 109.613 -179.844 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.24 -49.82 70.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 0.40000000000000002 109.4 -179.872 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.78 -46.61 87.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.375 -0.828 . . . . 1.5900000000000001 109.06 -179.938 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.471 ' CG ' HH22 ' D' ' 337' ' ' ARG . 2.6 m-20 -57.83 -30.83 66.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.523 -0.736 . . . . 1.4299999999999999 109.437 179.635 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 110.16 -179.655 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.366 -0.605 . . . . 2.1099999999999999 109.366 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.49 148.6 22.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.216 -0.928 . . . . 0.64000000000000001 110.25 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.54 137.02 35.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.672 -0.862 . . . . 0.48999999999999999 108.672 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.5 166.15 12.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.311 -0.868 . . . . 0.46999999999999997 109.409 -179.697 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.92 129.28 12.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 0.41999999999999998 109.582 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.64 125.56 32.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.8100000000000001 108.968 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -124.45 115.8 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.629 -0.67 . . . . 0.41999999999999998 109.683 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -76.41 158.18 31.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.3500000000000001 109.834 179.371 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 135.1 1.82 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.21 -1.156 . . . . 0.40999999999999998 110.21 179.37 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -83.09 -47.39 11.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -1.093 . . . . 2.5899999999999999 109.014 179.557 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.12 -43.44 91.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 2.54 109.44 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.439 HH22 ' CG ' ' A' ' 352' ' ' ASP . 42.7 ttm180 -62.48 -42.96 99.85 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.351 -0.843 . . . . 3.3900000000000001 109.172 179.728 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.36 -50.03 70.72 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.509 -0.744 . . . . 0.46999999999999997 109.472 179.657 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.42 -39.56 61.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 1.6599999999999999 110.058 -179.598 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.06 -49.1 77.31 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.184 -0.948 . . . . 0.60999999999999999 110.304 -179.216 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.74 -44.56 96.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.235 -0.916 . . . . 0.33000000000000002 109.194 -179.691 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.77 -42.8 58.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 3.2799999999999998 109.502 179.598 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.33 69.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 1.78 109.76 -179.893 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -60.77 -37.62 82.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 0.38 108.915 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.39 -54.74 43.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.375 -0.828 . . . . 1.2 109.242 179.536 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.2 -32.8 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.389 -0.82 . . . . 2.1200000000000001 109.685 179.904 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.71 -54.88 42.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.26000000000000001 110.08 -179.421 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.18 -0.95 . . . . 0.40000000000000002 109.526 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.13 -35.79 74.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 2.0899999999999999 109.653 -179.914 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.404 HD11 HE22 ' D' ' 354' ' ' GLN . 52.0 tp -64.28 -49.68 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.172 -0.955 . . . . 0.75 109.512 -179.873 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.86 -46.6 87.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 109.061 179.955 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' A' ' 337' ' ' ARG . 2.6 m-20 -57.76 -30.85 65.94 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.471 -0.768 . . . . 1.3400000000000001 109.379 179.602 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 0.71999999999999997 110.09 -179.591 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.417 -0.586 . . . . 1.6699999999999999 109.417 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.39 148.59 22.63 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.284 -0.885 . . . . 0.60999999999999999 110.232 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.6 137.0 34.97 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.678 -0.86 . . . . 0.56000000000000005 108.678 179.088 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.32 166.26 12.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.291 -0.881 . . . . 0.42999999999999999 109.425 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.95 129.18 12.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 0.34999999999999998 109.705 -179.627 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.65 125.64 32.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.419 -0.8 . . . . 1.3700000000000001 108.981 179.723 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.4 115.86 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.521 -0.737 . . . . 0.47999999999999998 109.733 -179.548 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 158.22 31.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.32 -0.862 . . . . 2.0800000000000001 109.796 179.375 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.11 1.77 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.258 -1.137 . . . . 0.40000000000000002 110.258 179.373 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' D' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.39 11.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.427 -1.043 . . . . 2.6400000000000001 108.993 179.621 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.13 -43.35 91.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 2.2200000000000002 109.407 179.871 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.471 HH22 ' CG ' ' B' ' 352' ' ' ASP . 42.7 ttm180 -62.54 -42.91 99.84 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.284 -0.885 . . . . 2.7400000000000002 109.153 179.757 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.37 -50.02 70.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.524 -0.735 . . . . 0.42999999999999999 109.497 179.694 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.41 -39.66 61.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 110.051 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.07 -49.11 77.28 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.157 -0.964 . . . . 0.42999999999999999 110.233 -179.209 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.208 -0.932 . . . . 0.27000000000000002 109.181 -179.65 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.76 -42.83 58.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 2.4500000000000002 109.475 179.624 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.98 -51.4 69.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 1.75 109.712 -179.842 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.74 -37.55 82.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.113 -0.992 . . . . 0.31 108.972 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.48 -54.65 44.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.396 -0.815 . . . . 1.22 109.222 179.546 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.21 -32.96 74.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.73 109.71 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.53 -55.01 40.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.28000000000000003 110.103 -179.481 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.14 -43.68 98.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.31 109.579 -179.748 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.32 -35.77 74.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -0.936 . . . . 1.9099999999999999 109.563 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.9 tp -64.22 -49.85 70.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.138 -0.976 . . . . 0.42999999999999999 109.427 -179.87 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.73 -46.71 86.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.5700000000000001 109.05 179.995 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.503 ' CG ' HH22 ' B' ' 337' ' ' ARG . 2.6 m-20 -57.73 -30.82 65.86 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 109.445 179.667 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.62 73.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 0.64000000000000001 110.129 -179.594 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.404 HE22 HD11 ' C' ' 350' ' ' LEU . 51.6 mt-30 . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 1.21 109.705 -179.522 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.25 0.548 . . . . 1.7 109.612 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 30.5 m-85 -95.13 151.12 19.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.269 -0.895 . . . . 0.60999999999999999 109.471 179.802 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -141.32 138.57 33.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.2 -0.937 . . . . 0.57999999999999996 109.325 179.621 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.3 165.79 11.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.45 -0.781 . . . . 0.41999999999999998 109.069 179.817 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.3 tp -149.54 133.55 17.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.081 -1.012 . . . . 0.35999999999999999 109.885 -179.601 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.543 ' NE2' ' N ' ' A' ' 332' ' ' ILE . 1.4 tm0? -84.47 126.85 33.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 108.734 179.558 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.543 ' N ' ' NE2' ' A' ' 331' ' ' GLN . 41.7 mt -124.17 110.03 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 CA-C-O 121.575 0.702 . . . . 0.46999999999999997 109.755 -179.565 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.73 148.97 38.15 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.608 -0.683 . . . . 2.1000000000000001 109.412 179.44 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.39 132.52 5.52 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.214 -1.154 . . . . 0.41999999999999998 110.214 179.544 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.12 -43.09 16.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -1.092 . . . . 2.6800000000000002 109.172 179.587 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.51 -46.86 87.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.348 -0.845 . . . . 2.2200000000000002 109.637 -179.919 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.473 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 16.6 ttm-85 -63.32 -40.42 97.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.265 -0.897 . . . . 2.77 109.803 -179.614 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.6 -54.19 24.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.42999999999999999 109.449 179.973 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -52.73 -37.07 58.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.192 -0.942 . . . . 1.6599999999999999 109.802 179.928 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.5 -51.78 64.08 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.3 -0.875 . . . . 0.44 110.419 -179.453 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.04 -43.95 94.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.09 -1.007 . . . . 0.28999999999999998 109.115 -179.86 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.82 -43.31 58.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.234 -0.916 . . . . 2.4399999999999999 109.348 179.703 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.16 -51.11 71.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 1.74 109.765 -179.729 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.28 -39.06 85.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.125 -0.984 . . . . 0.29999999999999999 108.694 179.685 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.19 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.526 -0.734 . . . . 1.22 109.67 179.725 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.39 -34.87 78.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 1.72 110.096 -179.62 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.2 38.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.182 -0.949 . . . . 0.27000000000000002 110.159 -179.485 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.94 -38.94 87.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.296 -0.877 . . . . 0.28999999999999998 109.623 -179.613 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.95 -39.68 86.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.098 -1.001 . . . . 1.9099999999999999 108.743 179.226 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.4 tt -64.35 -47.34 79.68 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.608 -0.886 . . . . 0.40999999999999998 108.608 179.528 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.49 -45.66 91.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 122.03 0.919 . . . . 1.5600000000000001 108.91 179.423 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.02 -31.13 60.83 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.224 0.535 . . . . 1.4299999999999999 109.726 -179.786 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.51 85.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.66000000000000003 109.497 -179.964 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.437 ' NE2' HD11 ' B' ' 350' ' ' LEU . 24.6 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.1799999999999999 109.715 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.233 0.54 . . . . 1.6100000000000001 109.61 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 30.3 m-85 -95.17 151.06 19.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.266 -0.896 . . . . 0.56999999999999995 109.416 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.32 138.56 33.21 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.53000000000000003 109.32 179.517 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.22 165.83 11.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 0.38 109.105 179.791 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.56 133.61 17.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.068 -1.02 . . . . 0.35999999999999999 109.882 -179.701 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.545 ' NE2' ' N ' ' B' ' 332' ' ' ILE . 1.4 tm0? -84.48 126.94 33.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 108.767 179.495 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.545 ' N ' ' NE2' ' B' ' 331' ' ' GLN . 41.6 mt -124.21 110.09 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 CA-C-O 121.639 0.733 . . . . 0.48999999999999999 109.733 -179.521 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.77 148.92 38.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 2.1000000000000001 109.377 179.434 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.153 -1.179 . . . . 0.44 110.153 179.462 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.14 -43.1 16.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -1.099 . . . . 2.7200000000000002 109.129 179.585 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.52 -46.94 87.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.265 -0.897 . . . . 2.21 109.598 -179.88 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.48 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 16.7 ttm-85 -63.29 -40.43 97.35 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.254 -0.904 . . . . 2.79 109.798 -179.516 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.55 -54.26 23.9 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.316 -0.865 . . . . 0.45000000000000001 109.395 179.979 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.83 -36.95 59.43 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 1.6799999999999999 109.727 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.52 -51.93 63.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 110.366 -179.472 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.86 -44.03 94.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.28000000000000003 109.134 -179.835 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.79 -43.32 58.64 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.292 -0.88 . . . . 2.52 109.39 179.732 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.09 -51.19 70.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 1.75 109.731 -179.758 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' B' ' 344' ' ' LEU . 36.9 mt -60.28 -39.03 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.147 -0.97 . . . . 0.31 108.703 179.729 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.22 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.772 . . . . 1.21 109.684 179.751 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.31 -34.98 78.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 110.061 -179.653 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.35 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 110.175 -179.509 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -60.85 -39.04 87.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.29999999999999999 109.599 -179.559 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -59.98 -39.58 86.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.043 -1.036 . . . . 1.9299999999999999 108.763 179.214 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.509 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.4 tt -64.36 -47.17 80.33 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.58 -0.896 . . . . 0.40000000000000002 108.58 179.518 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.74 -45.79 91.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.321 -0.862 . . . . 1.5900000000000001 108.833 179.46 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.97 -31.02 60.4 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 116.126 -0.488 . . . . 1.4299999999999999 109.722 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.862 . . . . 0.65000000000000002 109.451 -179.939 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.338 0.589 . . . . 2.1099999999999999 109.571 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 31.3 m-85 -95.11 151.09 19.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.252 -0.905 . . . . 0.64000000000000001 109.489 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -141.3 138.59 33.28 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.205 -0.934 . . . . 0.48999999999999999 109.326 179.601 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.32 165.8 11.85 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.504 -0.747 . . . . 0.46999999999999997 109.067 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.6 tp -149.55 133.58 17.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.41999999999999998 109.864 -179.646 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.532 ' NE2' ' N ' ' C' ' 332' ' ' ILE . 1.4 tm0? -84.43 126.84 33.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 1.8100000000000001 108.822 179.502 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.532 ' N ' ' NE2' ' C' ' 331' ' ' GLN . 41.4 mt -124.13 110.13 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.524 -0.735 . . . . 0.41999999999999998 109.725 -179.515 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -75.89 148.95 37.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.622 -0.673 . . . . 2.3500000000000001 109.424 179.427 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.43 132.64 5.57 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.172 -1.171 . . . . 0.40999999999999998 110.172 179.595 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.22 -43.04 16.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.126 . . . . 2.5899999999999999 109.179 179.529 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.318 -0.864 . . . . 2.54 109.614 -179.93 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.47 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 16.5 ttm-85 -63.3 -40.45 97.38 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.244 -0.91 . . . . 3.3900000000000001 109.808 -179.608 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -50.55 -54.26 23.86 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.217 -0.927 . . . . 0.46999999999999997 109.397 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -52.81 -36.98 59.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 1.6599999999999999 109.726 -179.998 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.59 -51.77 63.86 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.286 -0.883 . . . . 0.60999999999999999 110.357 -179.421 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.03 -43.87 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.072 -1.018 . . . . 0.33000000000000002 109.181 -179.834 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.93 -43.23 60.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 3.2799999999999998 109.351 179.695 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.13 -51.15 70.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.416 -0.803 . . . . 1.78 109.775 -179.771 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.31 -39.06 85.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 0.38 108.718 179.692 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.1 -55.39 35.71 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.535 -0.728 . . . . 1.2 109.68 179.67 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.28 -35.03 79.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.373 -0.83 . . . . 2.1200000000000001 110.081 -179.614 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -55.27 37.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.26000000000000001 110.19 -179.465 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.95 -38.98 87.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.306 -0.871 . . . . 0.40000000000000002 109.557 -179.596 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.9 -39.69 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 108.716 179.211 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.514 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.42 -47.03 80.68 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.591 -0.892 . . . . 0.75 108.591 179.612 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.81 -45.76 91.33 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.849 0.833 . . . . 2.1899999999999999 108.862 179.362 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.86 -31.08 59.24 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.241 0.543 . . . . 1.3400000000000001 109.807 -179.885 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.302 -0.873 . . . . 0.71999999999999997 109.451 -179.905 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.283 0.563 . . . . 1.6699999999999999 109.591 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 31.3 m-85 -95.22 151.08 19.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 0.60999999999999999 109.366 179.877 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.34 138.57 33.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.158 -0.964 . . . . 0.56000000000000005 109.367 179.522 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.24 165.83 11.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.494 -0.754 . . . . 0.42999999999999999 109.105 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.54 133.57 17.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.015 -1.053 . . . . 0.34999999999999998 109.889 -179.635 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' D' ' 332' ' ' ILE . 1.4 tm0? -84.51 126.91 33.72 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.344 -0.847 . . . . 1.3700000000000001 108.778 179.525 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.544 ' N ' ' NE2' ' D' ' 331' ' ' GLN . 41.6 mt -124.18 110.09 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.568 -0.707 . . . . 0.47999999999999998 109.777 -179.535 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.83 148.97 37.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.601 -0.687 . . . . 2.0800000000000001 109.405 179.477 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.181 -1.168 . . . . 0.40000000000000002 110.181 179.561 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.19 -43.13 16.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -1.066 . . . . 2.6400000000000001 109.147 179.58 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.45 -46.95 87.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.646 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.479 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 16.7 ttm-85 -63.34 -40.33 97.0 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 2.7400000000000002 109.795 -179.542 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -50.57 -54.28 23.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.3 -0.875 . . . . 0.42999999999999999 109.386 179.982 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -52.73 -37.03 58.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.6899999999999999 109.781 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.56 -51.84 63.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.249 -0.907 . . . . 0.42999999999999999 110.388 -179.4 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.87 -43.99 94.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.122 -0.986 . . . . 0.27000000000000002 109.169 -179.922 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.9 -43.3 59.75 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.19 -0.944 . . . . 2.4500000000000002 109.351 179.785 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.08 -51.17 70.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 1.75 109.754 -179.798 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.31 -39.09 85.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.146 -0.971 . . . . 0.31 108.652 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.13 -55.33 36.36 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.515 -0.74 . . . . 1.22 109.657 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -0.808 . . . . 1.73 110.06 -179.638 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -55.3 36.84 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.28000000000000003 110.168 -179.466 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.88 -38.98 87.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 0.31 109.625 -179.582 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -60.05 -39.55 86.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.9099999999999999 108.743 179.233 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.515 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.4 tt -64.53 -47.23 79.59 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.558 -0.904 . . . . 0.42999999999999999 108.558 179.535 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.62 -45.61 91.45 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.953 0.883 . . . . 1.5700000000000001 108.789 179.498 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.09 -31.02 60.88 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.154 0.502 . . . . 1.4399999999999999 109.695 -179.78 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 0.64000000000000001 109.525 179.961 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.443 ' NE2' HD11 ' C' ' 350' ' ' LEU . 24.6 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.324 -0.86 . . . . 1.21 109.74 -179.954 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.274 0.559 . . . . 1.7 109.525 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 37.0 m-85 -95.15 148.7 22.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.187 -0.946 . . . . 0.60999999999999999 109.72 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.82 137.72 33.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 109.091 179.355 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.64 162.94 13.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.387 -0.82 . . . . 0.41999999999999998 108.905 179.832 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -149.13 132.08 16.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.089 -1.007 . . . . 0.35999999999999999 109.922 -179.364 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -84.18 125.51 32.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.975 179.436 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.97 116.3 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.599 -0.688 . . . . 0.46999999999999997 109.492 -179.663 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.51 34.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.932 . . . . 2.1000000000000001 109.922 179.902 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.73 137.67 2.42 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.518 -1.033 . . . . 0.41999999999999998 110.518 179.187 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -83.08 -46.38 12.87 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.372 -1.075 . . . . 2.6800000000000002 109.196 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.88 -45.7 85.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.135 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.24 -43.92 98.09 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.334 -0.854 . . . . 2.77 109.109 179.69 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.25 -58.45 7.65 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.643 -0.661 . . . . 0.42999999999999999 109.423 179.891 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.53 -35.48 40.81 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.277 -0.89 . . . . 1.6599999999999999 109.653 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.8 ttp -64.2 -53.71 45.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.44 110.163 -179.561 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -43.29 99.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.28999999999999998 108.998 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.54 -42.06 61.53 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.261 -0.899 . . . . 2.4399999999999999 109.328 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -60.68 -46.1 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 1.74 109.702 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.12 -45.02 96.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 0.29999999999999999 109.279 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.76 75.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 1.22 109.247 179.769 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.2 -36.95 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 1.72 109.427 179.904 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.64 -50.6 73.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.857 . . . . 0.27000000000000002 109.678 -179.791 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.74 -43.02 99.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -0.889 . . . . 0.28999999999999998 109.428 -179.953 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.73 -39.48 80.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.907 . . . . 1.9099999999999999 109.196 179.789 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.5 tt -63.65 -42.38 98.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.523 -0.917 . . . . 0.40999999999999998 108.523 179.652 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -58.71 -52.14 66.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 1.5600000000000001 108.54 179.378 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.55 -29.1 64.11 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.837 -0.539 . . . . 1.4299999999999999 109.574 179.853 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.71 71.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 0.66000000000000003 109.405 -179.747 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.451 ' NE2' HD11 ' B' ' 350' ' ' LEU . 24.1 mt-30 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.864 . . . . 1.1799999999999999 109.538 179.718 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.485 -0.561 . . . . 1.6100000000000001 109.485 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 37.5 m-85 -95.19 148.68 22.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.22 -0.925 . . . . 0.56999999999999995 109.762 179.957 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.77 137.67 33.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.35 -0.844 . . . . 0.53000000000000003 109.092 179.4 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.61 162.86 13.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.383 -0.823 . . . . 0.38 108.997 179.756 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 45.7 tp -149.09 132.12 16.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.35999999999999999 109.909 -179.338 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.27 125.58 32.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.395 -0.815 . . . . 1.3600000000000001 108.96 179.477 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.93 116.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.584 -0.698 . . . . 0.48999999999999999 109.545 -179.622 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -76.42 155.37 34.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.229 -0.919 . . . . 2.1000000000000001 109.997 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.81 137.75 2.48 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.493 -1.043 . . . . 0.44 110.493 179.238 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.19 -46.34 12.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -1.095 . . . . 2.7200000000000002 109.181 179.508 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 -45.8 85.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.291 -0.88 . . . . 2.21 109.127 179.844 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -61.16 -43.94 98.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.289 -0.882 . . . . 2.79 109.131 179.705 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.24 -58.51 7.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.552 -0.718 . . . . 0.45000000000000001 109.415 179.889 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.37 -35.57 39.26 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.338 -0.851 . . . . 1.6799999999999999 109.63 -179.743 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.2 -53.8 43.56 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.42999999999999999 110.051 -179.423 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.28 -43.35 99.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 0.28000000000000003 109.036 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.45 -42.12 61.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.874 . . . . 2.52 109.388 179.634 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 15.8 tp10 -60.65 -46.16 91.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.75 109.708 -179.912 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.07 -44.98 96.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.302 -0.874 . . . . 0.31 109.356 -179.986 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.48 -49.85 74.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.207 -0.933 . . . . 1.21 109.181 179.741 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.06 -36.94 83.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 109.521 179.884 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.7 -50.53 73.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.361 -0.837 . . . . 0.27000000000000002 109.713 -179.786 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.69 -43.11 99.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.895 . . . . 0.29999999999999999 109.43 -179.995 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.62 -39.54 80.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.162 179.759 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.5 tt -63.54 -42.3 98.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.484 -0.932 . . . . 0.40000000000000002 108.484 179.666 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -52.24 66.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 1.5900000000000001 108.598 179.359 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.51 -29.07 64.01 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.186 0.517 . . . . 1.4299999999999999 109.617 179.786 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.65000000000000002 109.477 -179.745 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.288 0.566 . . . . 2.1099999999999999 109.546 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.4 m-85 -95.18 148.64 22.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.198 -0.939 . . . . 0.64000000000000001 109.792 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.74 137.67 33.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.48999999999999999 109.105 179.412 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.9 p -96.62 162.74 13.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.391 -0.818 . . . . 0.46999999999999997 108.963 179.814 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -148.91 132.23 16.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.048 -1.032 . . . . 0.41999999999999998 109.923 -179.324 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.36 125.58 32.43 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.899 -0.778 . . . . 1.8100000000000001 108.899 179.507 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -123.91 116.31 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.597 -0.69 . . . . 0.41999999999999998 109.539 -179.675 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.51 155.49 33.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.219 -0.926 . . . . 2.3500000000000001 109.896 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.82 137.66 2.46 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.446 -1.062 . . . . 0.40999999999999998 110.446 179.164 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.17 -46.31 12.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.408 -1.054 . . . . 2.5899999999999999 109.226 179.528 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.8 -45.7 85.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.909 . . . . 2.54 109.187 179.755 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.25 -44.01 97.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 3.3900000000000001 109.091 179.721 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.22 -58.43 7.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.586 -0.696 . . . . 0.46999999999999997 109.425 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.43 -35.58 40.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.848 . . . . 1.6599999999999999 109.607 -179.742 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.17 -53.8 43.65 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -0.958 . . . . 0.60999999999999999 110.057 -179.463 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.35 -43.28 99.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.976 . . . . 0.33000000000000002 108.985 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.59 -42.01 61.6 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.292 -0.88 . . . . 3.2799999999999998 109.386 179.692 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 15.6 tp10 -60.65 -46.19 91.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.29 -0.881 . . . . 1.78 109.641 -179.965 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.16 -45.04 96.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.38 109.26 -179.876 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.81 75.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 1.2 109.184 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.04 -37.02 83.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.52 179.886 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.65 -50.5 73.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.26000000000000001 109.731 -179.76 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.79 -43.03 99.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.40000000000000002 109.361 -179.954 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.67 -39.47 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.228 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.559 HD23 ' O ' ' C' ' 350' ' ' LEU . 1.5 tt -63.52 -42.33 98.45 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.486 -0.931 . . . . 0.75 108.486 179.629 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -52.27 66.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 2.1899999999999999 108.598 179.366 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.46 -29.08 63.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.856 -0.528 . . . . 1.3400000000000001 109.619 179.781 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.71999999999999997 109.406 -179.695 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.26 0.552 . . . . 1.6699999999999999 109.554 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 37.4 m-85 -95.24 148.63 22.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.891 . . . . 0.60999999999999999 109.811 179.947 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.77 137.63 33.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.34 -0.85 . . . . 0.56000000000000005 109.097 179.445 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 47.1 p -96.53 162.82 13.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.363 -0.835 . . . . 0.42999999999999999 108.922 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 45.6 tp -148.99 132.23 16.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.048 -1.032 . . . . 0.34999999999999998 109.927 -179.396 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.33 125.61 32.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.893 179.497 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.04 116.24 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.527 -0.733 . . . . 0.47999999999999998 109.512 -179.645 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.46 34.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 2.0800000000000001 109.913 179.919 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.76 137.66 2.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.476 -1.05 . . . . 0.40000000000000002 110.476 179.135 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.05 -46.34 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -1.075 . . . . 2.6400000000000001 109.232 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.84 -45.73 85.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.138 179.841 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.397 -0.815 . . . . 2.7400000000000002 109.099 179.758 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.17 -58.42 7.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.504 -0.748 . . . . 0.42999999999999999 109.467 179.876 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.56 -35.5 41.29 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.355 -0.841 . . . . 1.6899999999999999 109.621 -179.737 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.14 -53.84 43.16 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.287 -0.883 . . . . 0.42999999999999999 110.093 -179.514 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.29 -43.28 99.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.27000000000000002 109.055 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.49 -42.07 61.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 2.4500000000000002 109.426 179.653 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -60.69 -46.17 91.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 1.75 109.634 -179.906 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.8 mt -61.09 -44.99 96.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.234 -0.917 . . . . 0.31 109.302 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -57.53 -49.74 75.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.166 -0.959 . . . . 1.22 109.179 179.794 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.1 -36.92 83.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.905 . . . . 1.73 109.517 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.75 -50.52 73.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.28000000000000003 109.695 -179.733 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.76 -43.05 99.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.886 . . . . 0.31 109.358 -179.971 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.74 -39.45 80.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.168 179.849 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.567 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -63.69 -42.3 98.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 108.527 179.659 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.479 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -58.83 -51.99 67.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.018 -1.051 . . . . 1.5700000000000001 108.605 179.403 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.6 -29.14 64.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.27 0.557 . . . . 1.4399999999999999 109.615 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.66 71.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.195 -0.941 . . . . 0.64000000000000001 109.384 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.461 ' NE2' HD11 ' C' ' 350' ' ' LEU . 24.0 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 1.21 109.491 179.763 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.261 0.553 . . . . 1.7 109.796 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.23 156.43 16.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.303 -0.873 . . . . 0.60999999999999999 109.254 179.665 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.33 -170.08 2.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.36 -0.837 . . . . 0.57999999999999996 109.23 179.624 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.2 p -153.51 147.11 25.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.151 -0.968 . . . . 0.41999999999999998 109.129 -179.961 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.2 136.72 33.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.438 -0.789 . . . . 0.35999999999999999 109.804 -179.048 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.67 33.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.701 -0.625 . . . . 1.3700000000000001 109.345 179.185 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -123.35 116.5 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.656 -0.868 . . . . 0.46999999999999997 108.656 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -73.75 152.8 40.25 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.32 -0.863 . . . . 2.1000000000000001 109.918 -179.577 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.46 141.07 2.67 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.095 -1.202 . . . . 0.41999999999999998 110.095 179.392 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.4 -48.62 11.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.378 -1.072 . . . . 2.6800000000000002 109.281 179.688 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.84 -37.56 74.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 109.047 179.841 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.96 -42.98 99.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.218 -0.926 . . . . 2.77 108.844 179.362 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.1 -56.05 25.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.552 -0.717 . . . . 0.42999999999999999 109.6 179.697 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.89 -38.46 56.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.863 . . . . 1.6599999999999999 109.756 -179.768 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.76 -53.07 59.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.289 -0.882 . . . . 0.44 110.087 -179.418 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.24 -45.79 93.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.147 -0.971 . . . . 0.28999999999999998 108.958 -179.934 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.32 -41.87 60.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.295 -0.878 . . . . 2.4399999999999999 109.352 179.788 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.96 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 1.74 109.848 -179.597 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.09 -40.4 93.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.207 -0.933 . . . . 0.29999999999999999 108.833 179.833 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.03 -53.73 55.07 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 1.22 109.432 179.488 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.17 -34.05 75.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.375 -0.828 . . . . 1.72 109.382 179.993 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.26 -48.38 80.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.27000000000000002 109.214 -179.985 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.51 -46.39 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.383 -0.823 . . . . 0.28999999999999998 109.353 179.588 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.1 -35.78 74.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.53 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.51 -51.7 61.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.40999999999999998 109.569 -179.801 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.79 -43.93 97.52 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.433 -0.792 . . . . 1.5600000000000001 109.063 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.59 -33.43 66.21 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.68 179.885 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -51.29 52.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 0.66000000000000003 109.815 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 1.1799999999999999 109.782 -179.77 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.205 0.526 . . . . 1.6100000000000001 109.749 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.14 156.47 16.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.328 -0.857 . . . . 0.56999999999999995 109.323 179.569 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.33 -170.1 2.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.413 -0.804 . . . . 0.53000000000000003 109.218 179.609 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.6 p -153.57 147.04 24.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.301 -0.874 . . . . 0.38 109.136 -179.868 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.24 136.73 33.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.35999999999999999 109.751 -179.037 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.79 33.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.634 -0.666 . . . . 1.3600000000000001 109.287 179.197 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.42 116.5 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 108.672 -0.862 . . . . 0.48999999999999999 108.672 179.469 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.75 152.78 40.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.383 -0.823 . . . . 2.1000000000000001 109.94 -179.581 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.52 141.04 2.69 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.423 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -81.36 -48.62 11.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -1.057 . . . . 2.7200000000000002 109.257 179.712 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.81 -37.57 74.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.21 109.115 179.837 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -62.0 -42.92 99.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.203 -0.935 . . . . 2.79 108.835 179.45 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.08 -56.03 25.79 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.606 -0.684 . . . . 0.45000000000000001 109.622 179.659 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.81 -38.43 55.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.786 . . . . 1.6799999999999999 109.869 -179.847 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.82 -53.07 59.97 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.174 -0.954 . . . . 0.42999999999999999 110.081 -179.439 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.27 -45.83 92.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.204 -0.935 . . . . 0.28000000000000003 108.949 -179.917 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.26 -41.84 60.67 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.279 -0.888 . . . . 2.52 109.47 179.731 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.94 -53.48 57.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.213 -0.93 . . . . 1.75 109.919 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.1 -40.42 93.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 0.31 108.848 179.746 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.05 -53.74 54.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.401 -0.812 . . . . 1.21 109.412 179.534 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -61.97 -34.3 75.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 1.6899999999999999 109.423 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -48.32 80.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 0.27000000000000002 109.231 -179.938 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.69 -46.16 89.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.358 -0.839 . . . . 0.29999999999999999 109.37 179.623 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.24 -35.77 74.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.9299999999999999 109.574 179.939 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.5 -51.75 61.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.40000000000000002 109.498 -179.81 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.75 -43.95 97.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.325 -0.859 . . . . 1.5900000000000001 109.061 -179.951 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.62 -33.28 66.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.726 179.881 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.65000000000000002 109.766 -179.681 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.199 0.523 . . . . 2.1099999999999999 109.746 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.2 156.49 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.324 179.566 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.43 -170.07 2.66 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.451 -0.78 . . . . 0.48999999999999999 109.202 179.634 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.8 p -153.56 147.15 25.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -0.885 . . . . 0.46999999999999997 109.139 -179.876 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.4 136.67 33.33 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.736 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.07 132.64 34.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.7 -0.625 . . . . 1.8100000000000001 109.45 179.133 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.4 116.51 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 N-CA-C 108.672 -0.862 . . . . 0.41999999999999998 108.672 179.493 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.77 152.78 40.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.391 -0.818 . . . . 2.3500000000000001 109.954 -179.579 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.03 2.68 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.091 -1.204 . . . . 0.40999999999999998 110.091 179.361 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -81.42 -48.49 11.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.308 -1.113 . . . . 2.5899999999999999 109.281 179.735 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -37.5 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 2.54 109.121 179.831 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.225 -0.922 . . . . 3.3900000000000001 108.88 179.381 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -56.11 -56.02 25.98 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.526 -0.734 . . . . 0.46999999999999997 109.629 179.616 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -51.79 -38.53 55.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.785 -179.869 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.84 -53.01 60.82 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.202 -0.936 . . . . 0.60999999999999999 110.084 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.26 -45.83 92.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.121 -0.987 . . . . 0.33000000000000002 108.952 -179.996 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -51.3 -41.92 60.8 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.24 -0.912 . . . . 3.2799999999999998 109.389 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.91 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.78 109.827 -179.567 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.117 -0.989 . . . . 0.38 108.855 179.791 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.0 -53.75 54.88 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.486 -0.758 . . . . 1.2 109.393 179.495 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.1 -34.28 76.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.454 -0.779 . . . . 2.1200000000000001 109.394 -179.954 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.18 -48.23 80.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.833 . . . . 0.26000000000000001 109.25 -179.926 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.66 -46.35 88.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.367 -0.833 . . . . 0.40000000000000002 109.389 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.12 -35.7 73.92 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.361 -0.837 . . . . 2.0899999999999999 109.538 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.56 -51.59 62.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.847 . . . . 0.75 109.54 -179.748 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.86 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.286 -0.884 . . . . 2.1899999999999999 109.034 -179.96 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.65 -33.32 66.22 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.525 -0.735 . . . . 1.3400000000000001 109.664 179.898 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.71999999999999997 109.839 -179.67 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.26 0.552 . . . . 1.6699999999999999 109.707 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.11 156.56 16.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.286 -0.884 . . . . 0.60999999999999999 109.326 179.618 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.53 -170.15 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.368 -0.832 . . . . 0.56000000000000005 109.221 179.686 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.4 p -153.54 147.09 25.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.236 -0.915 . . . . 0.42999999999999999 109.167 -179.855 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.3 136.69 33.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.508 -0.745 . . . . 0.34999999999999998 109.83 -179.057 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.75 33.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.695 -0.628 . . . . 1.3700000000000001 109.343 179.199 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.36 116.5 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 108.652 -0.87 . . . . 0.47999999999999998 108.652 179.528 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.83 152.78 40.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.481 -0.762 . . . . 2.0800000000000001 109.896 -179.544 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.12 2.7 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.06 -1.216 . . . . 0.40000000000000002 110.06 179.412 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.52 -48.43 11.84 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -1.078 . . . . 2.6400000000000001 109.357 179.678 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.93 -37.56 74.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 109.027 179.793 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.226 -0.922 . . . . 2.7400000000000002 108.872 179.385 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.04 -55.95 26.66 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.551 -0.718 . . . . 0.42999999999999999 109.699 179.645 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.9 -38.42 56.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.524 -0.735 . . . . 1.6899999999999999 109.802 -179.864 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.91 -52.95 61.09 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.207 -0.933 . . . . 0.42999999999999999 110.093 -179.361 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.126 -0.984 . . . . 0.27000000000000002 108.993 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.34 -41.82 60.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.313 -0.867 . . . . 2.4500000000000002 109.424 179.807 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.94 -53.55 56.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.229 -0.92 . . . . 1.75 109.884 -179.636 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.0 -40.47 93.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.162 -0.962 . . . . 0.31 108.813 179.761 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.99 -53.82 54.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.499 -0.75 . . . . 1.22 109.379 179.592 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.07 -34.13 75.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 1.73 109.419 -179.977 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.23 -48.27 80.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.273 -0.892 . . . . 0.28000000000000003 109.238 -179.944 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -46.5 88.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 0.31 109.361 179.537 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.99 -35.76 73.76 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.321 -0.862 . . . . 1.9099999999999999 109.528 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 58.0 tp -64.57 -51.61 61.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.42999999999999999 109.509 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.331 -0.856 . . . . 1.5700000000000001 109.054 -179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -56.67 -33.3 66.25 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.522 -0.736 . . . . 1.4399999999999999 109.726 179.866 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.21 52.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.64000000000000001 109.78 -179.661 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 1.21 109.732 -179.802 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.248 0.547 . . . . 1.7 109.674 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.287 -0.883 . . . . 0.60999999999999999 109.594 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -138.99 139.65 37.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.352 -0.843 . . . . 0.57999999999999996 108.836 179.462 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.7 p -93.77 164.79 12.99 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.41999999999999998 109.164 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.65 14.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.156 -0.965 . . . . 0.35999999999999999 110.104 -179.243 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.15 127.25 33.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.3700000000000001 108.864 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.43 117.25 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 121.563 -0.711 . . . . 0.46999999999999997 109.76 -179.514 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' A' ' 333' ' ' ARG . 19.2 ttt-85 -76.88 154.38 33.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 2.1000000000000001 109.62 179.474 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.37 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.336 -1.106 . . . . 0.41999999999999998 110.336 179.154 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' C' ' 326' ' ' GLU . 34.8 ttm180 -83.28 -47.4 11.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -1.091 . . . . 2.6800000000000002 109.398 179.639 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.74 -42.38 93.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.958 . . . . 2.2200000000000002 109.418 179.9 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.51 -41.89 97.97 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.376 -0.828 . . . . 2.77 109.554 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.04 -55.75 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.695 . . . . 0.42999999999999999 109.791 -179.884 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.02 -38.06 49.04 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.958 -179.661 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -52.6 59.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.286 -0.884 . . . . 0.44 110.695 -179.152 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.72 -43.56 97.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.28999999999999998 109.279 -179.519 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.47 -43.65 62.19 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.201 -0.937 . . . . 2.4399999999999999 109.567 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.92 -46.36 91.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 1.74 109.971 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.7 mt -61.19 -42.56 98.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 0.29999999999999999 109.373 -179.755 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.58 -50.64 73.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.19 -0.944 . . . . 1.22 109.594 179.97 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.34 -34.88 78.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.89 . . . . 1.72 109.865 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.49 -50.43 73.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.27000000000000002 110.073 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.51 -43.75 98.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.28999999999999998 109.67 -179.719 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.55 -34.66 72.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.117 -0.989 . . . . 1.9099999999999999 109.433 179.938 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.6 tt -64.71 -51.2 63.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 0.40999999999999998 109.314 -179.883 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.03 -42.42 94.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.895 . . . . 1.5600000000000001 109.035 179.843 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.36 -46.05 80.17 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.504 -0.748 . . . . 1.4299999999999999 109.12 179.587 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.11 65.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.66000000000000003 109.193 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' B' ' 350' ' ' LEU . 5.5 tt0 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.876 . . . . 1.1799999999999999 109.585 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' D' ' 335' ' ' ARG . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.326 0.584 . . . . 1.6100000000000001 109.699 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -97.85 152.94 18.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.22 -0.925 . . . . 0.56999999999999995 109.625 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -138.88 139.74 38.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.283 -0.885 . . . . 0.53000000000000003 108.831 179.447 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.4 p -93.9 164.8 12.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.339 -0.851 . . . . 0.38 109.176 -179.783 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.72 14.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.35999999999999999 110.129 -179.201 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.2 33.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.854 -0.795 . . . . 1.3600000000000001 108.854 179.528 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.41 117.12 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.491 -0.756 . . . . 0.48999999999999999 109.829 -179.465 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' B' ' 333' ' ' ARG . 19.3 ttt-85 -76.66 154.38 34.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 2.1000000000000001 109.607 179.508 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.94 137.24 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.386 -1.086 . . . . 0.44 110.386 179.124 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.17 -47.45 11.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.347 -1.09 . . . . 2.7200000000000002 109.409 179.585 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.75 -42.52 93.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.176 -0.952 . . . . 2.21 109.374 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.31 -41.91 97.79 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.415 -0.803 . . . . 2.79 109.524 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.12 -55.7 28.16 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.493 -0.754 . . . . 0.45000000000000001 109.741 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.1 -38.06 49.55 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.198 -0.939 . . . . 1.6799999999999999 109.96 -179.642 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.8 -52.74 58.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 0.42999999999999999 110.689 -179.205 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.65 -43.52 97.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.06 -1.025 . . . . 0.28000000000000003 109.322 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.42 -43.85 62.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.251 -0.906 . . . . 2.52 109.489 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.86 -46.32 91.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.873 . . . . 1.75 110.024 -179.673 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.1 -42.57 98.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.219 -0.926 . . . . 0.31 109.436 -179.835 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.57 -50.62 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 1.21 109.652 179.96 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.33 -34.9 78.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.185 -0.947 . . . . 1.6899999999999999 109.85 -179.817 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.58 -50.32 74.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 110.033 -179.51 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.63 -43.61 98.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.29999999999999999 109.686 -179.723 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.61 -34.6 72.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 1.9299999999999999 109.413 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.507 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.6 tt -64.71 -51.29 63.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.40000000000000002 109.28 -179.875 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -59.9 -42.51 94.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.21 -0.931 . . . . 1.5900000000000001 109.061 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.29 -46.09 79.91 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.108 -0.701 . . . . 1.4299999999999999 109.108 179.552 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 121.322 -0.861 . . . . 0.65000000000000002 109.201 179.788 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 335' ' ' ARG . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.209 0.528 . . . . 2.1099999999999999 109.7 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.345 -0.847 . . . . 0.64000000000000001 109.639 179.874 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.94 139.65 38.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.48999999999999999 108.837 179.5 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.87 164.84 12.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.293 -0.879 . . . . 0.46999999999999997 109.219 -179.824 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.22 130.61 14.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.41999999999999998 110.026 -179.117 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.11 127.22 33.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 1.8100000000000001 108.874 179.513 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.45 117.2 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 O-C-N 121.551 -0.718 . . . . 0.41999999999999998 109.753 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' C' ' 333' ' ' ARG . 19.3 ttt-85 -76.72 154.34 34.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.827 . . . . 2.3500000000000001 109.641 179.44 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.98 137.17 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.364 -1.094 . . . . 0.40999999999999998 110.364 179.126 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.22 -47.43 11.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -1.096 . . . . 2.5899999999999999 109.379 179.657 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.46 93.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.166 -0.958 . . . . 2.54 109.383 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.353 -0.842 . . . . 3.3900000000000001 109.515 -179.946 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.02 -55.74 27.52 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.473 -0.767 . . . . 0.46999999999999997 109.745 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.06 -38.05 49.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 109.923 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.89 -52.75 58.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.253 -0.904 . . . . 0.60999999999999999 110.64 -179.102 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.61 -43.66 97.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.33000000000000002 109.239 -179.444 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.4 -43.74 62.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.228 -0.92 . . . . 3.2799999999999998 109.554 179.763 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.42 90.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 1.78 109.969 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -42.51 98.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.141 -0.974 . . . . 0.38 109.431 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.62 -50.61 73.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 1.2 109.572 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.33 -34.93 78.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 2.1200000000000001 109.877 -179.815 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.54 -50.36 74.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 0.26000000000000001 110.088 -179.554 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.55 -43.59 98.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -0.88 . . . . 0.40000000000000002 109.683 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -59.7 -34.53 73.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.213 -0.93 . . . . 2.0899999999999999 109.473 179.987 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.71 -51.28 63.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.383 -0.823 . . . . 0.75 109.266 -179.904 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.02 -42.46 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 2.1899999999999999 109.059 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.28 -46.07 79.9 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.1 -0.704 . . . . 1.3400000000000001 109.1 179.549 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.358 -0.839 . . . . 0.71999999999999997 109.178 179.793 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.312 0.577 . . . . 1.6699999999999999 109.701 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -97.77 152.99 18.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.227 -0.92 . . . . 0.60999999999999999 109.69 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -138.94 139.67 38.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.878 . . . . 0.56000000000000005 108.822 179.479 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.84 164.78 12.98 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 109.187 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.75 14.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.186 -0.946 . . . . 0.34999999999999998 110.044 -179.18 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.19 33.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.869 179.495 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.41 117.23 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.533 -0.729 . . . . 0.47999999999999998 109.731 -179.474 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' D' ' 333' ' ' ARG . 19.4 ttt-85 -76.74 154.33 34.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.388 -0.82 . . . . 2.0800000000000001 109.647 179.446 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.36 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.331 -1.108 . . . . 0.40000000000000002 110.331 179.076 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' B' ' 326' ' ' GLU . 34.9 ttm180 -83.23 -47.45 11.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.39 -1.065 . . . . 2.6400000000000001 109.348 179.679 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.54 93.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.366 179.983 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.35 -41.96 97.91 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.319 -0.863 . . . . 2.7400000000000002 109.496 -179.954 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -55.06 -55.73 27.75 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.577 -0.702 . . . . 0.42999999999999999 109.75 -179.794 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.07 -38.03 49.21 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.224 -0.923 . . . . 1.6899999999999999 109.954 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.87 -52.71 58.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.238 -0.914 . . . . 0.42999999999999999 110.711 -179.206 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.57 -43.71 96.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.12 -0.987 . . . . 0.27000000000000002 109.277 -179.55 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -51.4 -43.71 62.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.279 -0.888 . . . . 2.4500000000000002 109.518 179.768 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.48 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.308 -0.87 . . . . 1.75 109.947 -179.748 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.12 -42.58 98.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.31 109.414 -179.75 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -58.47 -50.7 72.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.2 -0.938 . . . . 1.22 109.651 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -63.28 -34.9 78.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 1.73 109.863 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -50.36 74.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 0.28000000000000003 110.095 -179.567 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.6 -43.51 98.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.31 109.695 -179.667 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.71 -34.65 73.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.432 179.954 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.516 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.6 tt -64.66 -51.26 63.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.328 -179.916 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.04 -42.4 94.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 1.5700000000000001 109.015 179.915 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.37 -46.08 80.2 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.065 -0.717 . . . . 1.4399999999999999 109.065 179.612 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.18 65.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.358 -0.839 . . . . 0.64000000000000001 109.223 179.777 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.489 ' NE2' HD11 ' C' ' 350' ' ' LEU . 5.5 tt0 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 1.21 109.548 -179.989 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.421 -0.585 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.336 -0.853 . . . . 0.60999999999999999 109.762 -179.815 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.658 ' H ' HE21 ' C' ' 331' ' ' GLN . 83.3 m-85 -138.39 -173.96 3.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.374 -0.829 . . . . 0.57999999999999996 109.332 179.946 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -149.73 147.97 28.69 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.569 -0.9 . . . . 0.41999999999999998 108.569 179.99 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 67.5 tp -141.18 134.21 29.2 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.834 . . . . 0.35999999999999999 109.913 -178.565 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.664 HE21 ' H ' ' C' ' 328' ' ' PHE . 7.5 tm0? -84.72 127.36 34.07 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.312 -0.996 . . . . 1.3700000000000001 108.312 179.137 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.52 112.25 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.431 -0.793 . . . . 0.46999999999999997 109.064 -179.406 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -75.52 149.99 38.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.532 -0.73 . . . . 2.1000000000000001 109.863 -179.88 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.98 134.33 5.97 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.883 -1.287 . . . . 0.41999999999999998 109.883 179.529 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.6 -48.43 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -1.089 . . . . 2.6800000000000002 109.419 179.785 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.86 -44.16 90.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.37 -0.831 . . . . 2.2200000000000002 109.359 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.246 -0.909 . . . . 2.77 109.233 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.83 -56.68 16.77 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.42999999999999999 109.667 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.61 -39.25 57.65 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.294 -0.879 . . . . 1.6599999999999999 109.728 -179.807 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.12 -51.94 64.51 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.273 -0.892 . . . . 0.44 110.155 -179.237 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.96 -46.57 90.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.109 -0.994 . . . . 0.28999999999999998 108.899 -179.8 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.69 -43.15 62.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 2.4399999999999999 109.5 179.74 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.72 -45.45 92.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.864 . . . . 1.74 110.093 -179.579 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.51 -42.49 96.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 109.221 -179.985 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.72 -52.7 64.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.357 -0.839 . . . . 1.22 109.323 179.707 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.42 ' CD ' ' HZ2' ' B' ' 351' ' ' LYS . 79.4 tt0 -63.51 -35.9 81.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 1.72 109.752 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.49 57.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.2 -0.937 . . . . 0.27000000000000002 109.898 -179.601 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.06 -43.59 98.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.933 . . . . 0.28999999999999998 109.296 -179.882 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -35.68 73.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.9099999999999999 109.143 179.87 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.527 ' O ' ' NE2' ' A' ' 354' ' ' GLN . 23.7 tp -63.8 -44.19 94.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.435 -0.791 . . . . 0.40999999999999998 109.329 179.874 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.99 -42.82 99.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 1.5600000000000001 108.763 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -57.74 -29.51 64.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.388 179.547 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.79 84.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.66000000000000003 109.911 -179.734 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 350' ' ' LEU . 3.9 mp0 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.1799999999999999 109.39 -179.819 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.387 -0.598 . . . . 1.6100000000000001 109.387 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.726 -179.803 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.645 ' H ' HE21 ' D' ' 331' ' ' GLN . 83.4 m-85 -138.35 -173.94 3.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.53000000000000003 109.338 179.996 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -149.7 148.08 28.83 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.984 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.32 134.16 28.87 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.379 -0.826 . . . . 0.35999999999999999 109.776 -178.524 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.677 HE21 ' H ' ' D' ' 328' ' ' PHE . 7.6 tm0? -84.68 127.37 34.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.326 -0.991 . . . . 1.3600000000000001 108.326 179.085 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.48 112.23 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.399 -0.813 . . . . 0.48999999999999999 109.184 -179.473 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.53 149.97 38.26 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.73 . . . . 2.1000000000000001 109.816 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.35 5.98 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.921 -1.272 . . . . 0.44 109.921 179.498 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.63 -48.48 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -1.112 . . . . 2.7200000000000002 109.318 179.882 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.8 -44.13 90.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.288 -0.883 . . . . 2.21 109.409 179.91 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.42 99.54 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.216 -0.928 . . . . 2.79 109.253 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.79 -56.68 16.75 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.514 -0.741 . . . . 0.45000000000000001 109.69 -179.929 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.65 -39.23 57.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 109.789 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.14 -51.9 64.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.42999999999999999 110.191 -179.321 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.95 -46.6 90.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.28000000000000003 108.899 -179.856 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.59 -43.2 62.4 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.368 -0.832 . . . . 2.52 109.573 179.716 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -59.68 -45.55 91.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 1.75 109.968 -179.563 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.56 -42.43 96.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.131 -0.981 . . . . 0.31 109.177 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.75 -52.66 64.75 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 1.21 109.365 179.684 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.5 -35.98 82.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 1.6899999999999999 109.729 -179.945 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.65 55.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 0.27000000000000002 109.919 -179.627 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.11 -43.5 98.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.96 . . . . 0.29999999999999999 109.24 -179.785 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -59.0 -35.7 73.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 1.9299999999999999 109.239 179.753 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.407 HD21 HE21 ' A' ' 354' ' ' GLN . 23.7 tp -63.8 -44.2 94.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.307 -0.871 . . . . 0.40000000000000002 109.25 179.832 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ2' ' CD ' ' A' ' 346' ' ' GLU . 11.5 ttmm -61.0 -42.96 99.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 1.5900000000000001 108.792 179.911 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.63 -29.46 64.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.579 -0.7 . . . . 1.4299999999999999 109.416 179.458 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.65000000000000002 109.873 -179.668 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.41 -0.589 . . . . 2.1099999999999999 109.41 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -93.96 145.91 24.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.902 . . . . 0.64000000000000001 109.719 -179.748 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.664 ' H ' HE21 ' A' ' 331' ' ' GLN . 83.4 m-85 -138.3 -173.93 3.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.421 -0.799 . . . . 0.48999999999999999 109.343 179.993 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.6 p -149.74 148.1 28.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.557 -0.905 . . . . 0.46999999999999997 108.557 179.892 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 67.4 tp -141.29 134.24 29.05 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.368 -0.832 . . . . 0.41999999999999998 109.825 -178.534 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.658 HE21 ' H ' ' A' ' 328' ' ' PHE . 7.6 tm0? -84.73 127.42 34.1 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.342 -0.984 . . . . 1.8100000000000001 108.342 179.073 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.55 112.15 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.486 -0.759 . . . . 0.41999999999999998 109.174 -179.421 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.5 150.01 38.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.543 -0.723 . . . . 2.3500000000000001 109.874 -179.791 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.94 134.36 5.96 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.922 -1.271 . . . . 0.40999999999999998 109.922 179.554 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -79.58 -48.43 13.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.423 -1.045 . . . . 2.5899999999999999 109.369 179.845 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.89 -44.16 91.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.845 . . . . 2.54 109.332 179.898 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.63 -42.3 99.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.339 -0.85 . . . . 3.3900000000000001 109.283 179.907 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.86 -56.64 17.28 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.513 -0.742 . . . . 0.46999999999999997 109.637 -179.954 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.73 -39.17 57.96 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.42 -0.8 . . . . 1.6599999999999999 109.783 -179.753 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.15 -51.86 64.76 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.293 -0.879 . . . . 0.60999999999999999 110.244 -179.286 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.01 -46.56 90.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.33000000000000002 108.904 -179.884 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.63 -43.11 62.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.307 -0.87 . . . . 3.2799999999999998 109.527 179.701 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.84 -45.42 92.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.78 110.0 -179.539 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.61 -42.3 96.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.943 . . . . 0.38 109.241 -179.942 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -58.88 -52.59 65.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.895 . . . . 1.2 109.356 179.673 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.48 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 2.1200000000000001 109.764 -179.964 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.55 56.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.26000000000000001 109.958 -179.605 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.01 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.176 -0.952 . . . . 0.40000000000000002 109.377 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.02 -35.74 73.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.218 179.779 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.403 HD21 HE21 ' D' ' 354' ' ' GLN . 23.9 tp -63.85 -44.12 94.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 0.75 109.25 179.937 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.427 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 11.5 ttmm -61.04 -42.93 99.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.335 -0.853 . . . . 2.1899999999999999 108.755 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.67 -29.44 64.64 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.666 -0.646 . . . . 1.3400000000000001 109.452 179.486 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.71999999999999997 109.92 -179.668 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.411 -0.588 . . . . 1.6699999999999999 109.411 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.96 145.87 24.33 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.26 -0.9 . . . . 0.60999999999999999 109.728 -179.81 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.677 ' H ' HE21 ' B' ' 331' ' ' GLN . 83.3 m-85 -138.26 -173.9 3.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.382 -0.824 . . . . 0.56000000000000005 109.302 179.995 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.76 148.05 28.75 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.528 -0.916 . . . . 0.42999999999999999 108.528 179.938 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.25 134.21 29.07 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.315 -0.865 . . . . 0.34999999999999998 109.848 -178.554 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.645 HE21 ' H ' ' B' ' 328' ' ' PHE . 7.6 tm0? -84.72 127.39 34.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.28 -1.008 . . . . 1.3700000000000001 108.28 179.12 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.45 112.32 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.483 -0.761 . . . . 0.47999999999999998 109.196 -179.549 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -75.65 150.06 38.04 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.545 -0.722 . . . . 2.0800000000000001 109.819 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.37 5.99 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.889 -1.284 . . . . 0.40000000000000002 109.889 179.556 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.71 -48.41 13.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -1.077 . . . . 2.6400000000000001 109.357 179.787 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -44.16 90.96 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 2.2200000000000002 109.341 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -62.6 -42.29 99.48 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.242 -0.911 . . . . 2.7400000000000002 109.294 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.9 -56.69 16.81 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.578 -0.702 . . . . 0.42999999999999999 109.591 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.69 -39.18 57.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.773 -179.749 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.04 -51.98 64.65 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.201 -0.937 . . . . 0.42999999999999999 110.229 -179.374 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.95 -46.62 89.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.065 -1.022 . . . . 0.27000000000000002 108.932 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.59 -43.18 62.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -0.848 . . . . 2.4500000000000002 109.567 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.73 -45.43 92.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.312 -0.868 . . . . 1.75 110.037 -179.571 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.65 -42.41 96.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.31 109.197 -179.931 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.73 -52.69 64.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.309 -0.869 . . . . 1.22 109.34 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.427 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 79.4 tt0 -63.46 -35.99 82.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 1.73 109.757 -179.946 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.49 57.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.28000000000000003 109.976 -179.628 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.1 -43.55 98.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.31 109.293 -179.934 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.97 -35.74 73.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.17 179.818 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' D' ' 354' ' ' GLN . 23.8 tp -63.8 -44.16 94.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.381 -0.825 . . . . 0.42999999999999999 109.324 179.875 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.03 -42.81 99.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.318 -0.864 . . . . 1.5700000000000001 108.773 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -57.72 -29.52 64.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.35 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.85 84.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.64000000000000001 109.879 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' D' ' 350' ' ' LEU . 3.9 mp0 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.173 -0.955 . . . . 1.21 109.415 -179.877 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.463 -0.569 . . . . 1.7 109.463 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.54 153.41 18.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.176 -0.953 . . . . 0.60999999999999999 109.469 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -135.73 -170.63 2.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.265 -0.897 . . . . 0.57999999999999996 109.068 179.832 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.71 145.19 24.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.202 -0.936 . . . . 0.41999999999999998 108.758 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.16 136.17 33.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.445 -0.784 . . . . 0.35999999999999999 109.614 -178.502 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.17 128.64 34.93 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.464 -0.939 . . . . 1.3700000000000001 108.464 179.031 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.03 116.41 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.309 0 N-CA-C 108.997 -0.742 . . . . 0.46999999999999997 108.997 -179.804 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.61 152.66 39.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.728 -0.607 . . . . 2.1000000000000001 110.006 -179.432 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.06 136.26 1.52 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.46 -1.056 . . . . 0.41999999999999998 110.46 178.854 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -80.48 -41.6 24.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.422 -1.046 . . . . 2.6800000000000002 109.057 179.313 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.39 -48.34 80.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 108.982 179.505 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.2 ttm180 -60.87 -42.53 98.1 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.463 -0.773 . . . . 2.77 109.155 179.676 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -55.12 -54.9 37.34 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.591 -0.693 . . . . 0.42999999999999999 109.527 179.936 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.17 63.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.6599999999999999 109.83 -179.772 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -61.66 -50.07 73.98 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.298 -0.876 . . . . 0.44 110.132 -179.133 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.77 -45.77 93.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.942 . . . . 0.28999999999999998 108.902 -179.945 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -40.63 54.48 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.383 -0.823 . . . . 2.4399999999999999 109.58 179.607 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.12 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 1.74 109.932 -179.588 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.91 -34.05 72.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.251 -0.905 . . . . 0.29999999999999999 108.784 179.762 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.49 -57.45 12.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.535 -0.728 . . . . 1.22 109.33 179.317 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.53 -35.02 79.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.538 -0.726 . . . . 1.72 109.912 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.57 33.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.27000000000000002 110.079 -179.253 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.76 -43.33 99.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.128 -0.982 . . . . 0.28999999999999998 109.405 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.81 -33.43 70.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 109.093 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' B' ' 350' ' ' LEU . 2.3 tt -65.67 -52.06 54.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.428 -0.795 . . . . 0.40999999999999998 109.191 -179.915 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.92 -42.36 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.314 -0.866 . . . . 1.5600000000000001 109.097 179.819 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . 0.494 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 35.0 m-20 -57.12 -35.62 69.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.582 -0.699 . . . . 1.4299999999999999 109.514 179.898 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.24 78.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.66000000000000003 109.388 -179.976 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 1.1799999999999999 109.608 -179.972 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.323 0.583 . . . . 1.6100000000000001 109.555 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.53 153.05 18.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.125 -0.985 . . . . 0.56999999999999995 109.621 179.931 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.54 -170.63 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.25 -0.906 . . . . 0.53000000000000003 109.003 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.79 144.87 23.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.267 -0.896 . . . . 0.38 108.832 179.794 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -139.92 136.12 33.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.459 -0.776 . . . . 0.35999999999999999 109.711 -178.417 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.29 128.6 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.395 -0.965 . . . . 1.3600000000000001 108.395 179.143 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.89 116.46 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 N-CA-C 109.03 -0.73 . . . . 0.48999999999999999 109.03 -179.838 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -74.67 153.06 39.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.657 -0.652 . . . . 2.1000000000000001 109.943 -179.418 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.62 136.45 1.4 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.497 -1.041 . . . . 0.44 110.497 178.991 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.58 -41.54 23.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.397 -1.06 . . . . 2.7200000000000002 109.037 179.26 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.45 -48.34 81.06 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 2.21 108.97 179.512 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -60.96 -42.52 98.44 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.529 -0.732 . . . . 2.79 109.115 179.678 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.19 -54.81 38.59 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.545 -0.722 . . . . 0.45000000000000001 109.547 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.17 -43.12 63.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.411 -0.806 . . . . 1.6799999999999999 109.828 -179.812 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -61.75 -50.05 73.93 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.318 -0.864 . . . . 0.42999999999999999 110.087 -179.087 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.73 -45.8 92.86 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.079 -1.013 . . . . 0.28000000000000003 108.905 -179.977 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.73 -40.6 54.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.407 -0.808 . . . . 2.52 109.584 179.625 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.16 -49.53 77.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.313 -0.867 . . . . 1.75 109.876 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.98 -34.01 72.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.31 108.74 179.847 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.4 -57.43 13.04 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.369 -0.832 . . . . 1.21 109.374 179.302 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.62 -35.0 79.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.523 -0.736 . . . . 1.6899999999999999 109.945 -179.858 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.54 33.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.291 -0.881 . . . . 0.27000000000000002 109.989 -179.223 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.73 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.29999999999999999 109.372 -179.777 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.83 -33.37 70.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.307 -0.871 . . . . 1.9299999999999999 109.177 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' A' ' 350' ' ' LEU . 2.3 tt -65.58 -52.16 54.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.466 -0.771 . . . . 0.40000000000000002 109.169 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.468 -0.77 . . . . 1.5900000000000001 109.078 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.42 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 35.6 m-20 -56.98 -35.67 69.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.619 179.777 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.29 -0.881 . . . . 0.65000000000000002 109.417 -179.907 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.449 -0.575 . . . . 2.1099999999999999 109.449 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -93.62 153.42 18.4 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.203 -0.935 . . . . 0.64000000000000001 109.423 179.873 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.76 -170.64 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.218 -0.926 . . . . 0.48999999999999999 109.001 179.838 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.61 145.31 24.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 0.46999999999999997 108.815 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.3 136.01 32.82 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.449 -0.782 . . . . 0.41999999999999998 109.612 -178.507 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.18 128.5 34.9 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.482 -0.933 . . . . 1.8100000000000001 108.482 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.84 116.46 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 N-CA-C 109.034 -0.728 . . . . 0.41999999999999998 109.034 -179.721 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.68 152.99 39.08 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.408 0.623 . . . . 2.3500000000000001 109.964 -179.428 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.72 136.45 1.43 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.448 -1.061 . . . . 0.40999999999999998 110.448 178.937 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.63 -41.42 23.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -1.097 . . . . 2.5899999999999999 109.041 179.282 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.53 -48.24 81.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.413 -0.805 . . . . 2.54 108.983 179.517 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.494 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 26.2 ttm180 -60.86 -42.67 98.31 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.396 -0.815 . . . . 3.3900000000000001 109.168 179.573 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.18 -54.82 38.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.569 -0.707 . . . . 0.46999999999999997 109.512 179.973 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.11 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.822 -179.861 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.77 -49.98 74.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.346 -0.846 . . . . 0.60999999999999999 110.113 -179.079 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.81 -45.73 93.28 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.192 -0.942 . . . . 0.33000000000000002 109.015 179.99 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.78 -40.66 55.67 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.377 -0.827 . . . . 3.2799999999999998 109.485 179.626 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.95 -49.81 76.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.87 . . . . 1.78 109.882 -179.603 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.83 -33.98 72.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 0.38 108.809 179.84 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.43 -57.6 12.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.547 -0.72 . . . . 1.2 109.285 179.276 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.36 -35.03 79.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.474 -0.766 . . . . 2.1200000000000001 110.006 -179.868 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.58 33.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.26000000000000001 109.998 -179.236 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.75 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.207 -0.933 . . . . 0.40000000000000002 109.357 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.78 -33.44 70.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.098 179.741 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' D' ' 350' ' ' LEU . 2.3 tt -65.53 -52.18 54.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.341 -0.849 . . . . 0.75 109.237 -179.921 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.02 -42.3 99.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.475 -0.765 . . . . 2.1899999999999999 109.021 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 35.5 m-20 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.556 179.837 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.71999999999999997 109.436 179.999 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.445 -0.576 . . . . 1.6699999999999999 109.445 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.57 153.25 18.52 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.60999999999999999 109.475 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -135.63 -170.59 2.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.307 -0.871 . . . . 0.56000000000000005 108.994 179.848 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.4 p -152.65 145.4 24.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 0.42999999999999999 108.83 179.745 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.43 135.89 32.5 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.408 -0.807 . . . . 0.34999999999999998 109.676 -178.449 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.0 128.59 34.89 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.575 -0.898 . . . . 1.3700000000000001 108.575 179.098 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.93 116.45 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 109.041 -0.726 . . . . 0.47999999999999998 109.041 -179.723 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -74.62 152.99 39.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.721 -0.612 . . . . 2.0800000000000001 110.074 -179.486 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.69 136.39 1.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.568 -1.013 . . . . 0.40000000000000002 110.568 179.014 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -80.64 -41.59 23.6 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -1.118 . . . . 2.6400000000000001 108.912 179.417 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -58.29 -48.51 80.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.403 -0.811 . . . . 2.2200000000000002 108.926 179.451 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.42 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.2 ttm180 -60.85 -42.64 98.22 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.418 -0.801 . . . . 2.7400000000000002 109.161 179.747 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.11 -54.87 37.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.535 -0.728 . . . . 0.42999999999999999 109.507 179.895 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.05 -43.27 63.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 1.6899999999999999 109.865 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.65 -50.06 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.238 -0.914 . . . . 0.42999999999999999 110.141 -179.075 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.8 -45.77 93.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.27000000000000002 108.93 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.71 -40.71 54.82 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.389 -0.819 . . . . 2.4500000000000002 109.492 179.577 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.03 -49.6 77.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.344 -0.847 . . . . 1.75 109.915 -179.545 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.95 -33.94 72.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.185 -0.947 . . . . 0.31 108.763 179.854 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.44 -57.5 12.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.417 -0.802 . . . . 1.22 109.287 179.242 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.58 -34.99 79.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.493 -0.754 . . . . 1.73 109.923 -179.733 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -55.59 33.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 0.28000000000000003 110.039 -179.234 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.75 -43.48 98.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.31 109.35 -179.729 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.74 -33.46 70.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 109.065 179.785 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' C' ' 350' ' ' LEU . 2.3 tt -65.56 -52.11 54.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.202 -179.928 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.362 -0.836 . . . . 1.5700000000000001 109.053 179.826 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 35.6 m-20 -56.93 -35.65 69.3 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.59 -0.694 . . . . 1.4399999999999999 109.583 179.827 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -35.23 77.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.64000000000000001 109.382 -179.84 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 1.21 109.62 179.903 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.245 0.545 . . . . 1.7 109.539 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -95.55 144.69 25.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.60999999999999999 109.821 -179.772 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.462 ' N ' ' OE1' ' C' ' 331' ' ' GLN . 78.4 m-85 -132.96 -172.47 2.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.451 -0.781 . . . . 0.57999999999999996 109.18 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.99 151.2 31.74 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.554 -0.906 . . . . 0.41999999999999998 108.554 -179.957 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.97 134.11 25.83 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.357 -0.84 . . . . 0.35999999999999999 109.776 -178.515 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.835 -0.802 . . . . 1.3700000000000001 108.835 179.549 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.69 111.48 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 109.032 -0.729 . . . . 0.46999999999999997 109.032 -179.729 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.44 151.01 38.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.787 . . . . 2.1000000000000001 109.889 -179.75 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 133.25 5.09 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.055 -1.218 . . . . 0.41999999999999998 110.055 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.546 ' HG2' HH11 ' A' ' 335' ' ' ARG . 2.5 ttt-85 -79.57 -45.42 19.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -1.079 . . . . 2.6800000000000002 109.038 179.683 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.12 -46.22 85.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.424 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -63.13 -42.24 99.48 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.277 -0.89 . . . . 2.77 109.415 179.956 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -53.83 -55.35 27.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.699 -0.626 . . . . 0.42999999999999999 109.808 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.5 -39.17 60.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.873 . . . . 1.6599999999999999 109.731 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.37 -52.24 62.51 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.266 -0.896 . . . . 0.44 110.603 -179.408 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.83 -48.09 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.28999999999999998 109.172 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.59 -41.27 61.07 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.889 . . . . 2.4399999999999999 109.683 179.774 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -58.84 -49.28 78.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.202 -0.936 . . . . 1.74 109.954 -179.543 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.22 -37.21 79.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 0.29999999999999999 108.768 179.74 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.78 11.52 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.559 -0.713 . . . . 1.22 109.72 179.736 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.16 -33.53 75.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.403 -0.811 . . . . 1.72 109.904 -179.597 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.61 56.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.287 -0.883 . . . . 0.27000000000000002 110.127 -179.497 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.36 -41.67 97.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.138 -0.976 . . . . 0.28999999999999998 109.483 -179.826 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.58 -35.48 72.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 1.9099999999999999 109.001 179.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -63.81 -49.75 71.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.379 -0.825 . . . . 0.40999999999999998 108.816 179.658 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.89 -48.6 81.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.363 -0.836 . . . . 1.5600000000000001 108.961 179.579 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -57.08 -30.57 64.42 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.214 -0.661 . . . . 1.4299999999999999 109.214 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -31.68 72.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.917 . . . . 0.66000000000000003 109.426 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.292 -0.88 . . . . 1.1799999999999999 109.362 179.865 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.507 -0.553 . . . . 1.6100000000000001 109.507 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.47 144.75 25.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.56999999999999995 109.839 -179.827 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.439 ' N ' ' OE1' ' D' ' 331' ' ' GLN . 78.4 m-85 -133.01 -172.57 2.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.467 -0.77 . . . . 0.53000000000000003 109.161 179.842 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.9 151.35 32.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.197 -0.94 . . . . 0.38 108.602 179.921 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -143.03 134.15 25.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.35999999999999999 109.838 -178.569 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -85.87 126.35 34.0 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.89 -0.781 . . . . 1.3600000000000001 108.89 179.571 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.69 111.55 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.418 -0.802 . . . . 0.48999999999999999 109.0 -179.632 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.52 151.0 38.02 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 2.1000000000000001 109.848 -179.697 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.89 133.41 5.15 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.967 -1.253 . . . . 0.44 109.967 179.531 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.548 ' HG2' HH11 ' B' ' 335' ' ' ARG . 2.5 ttt-85 -79.53 -45.44 19.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.355 -1.085 . . . . 2.7200000000000002 109.1 179.584 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.19 -46.24 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 2.21 109.436 -179.997 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -63.17 -42.15 99.34 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.245 -0.91 . . . . 2.79 109.388 179.938 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.528 -0.733 . . . . 0.45000000000000001 109.771 -179.696 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -39.08 60.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.765 -179.854 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.5 -52.19 62.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.286 -0.884 . . . . 0.42999999999999999 110.573 -179.344 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.92 -48.03 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.069 -1.019 . . . . 0.28000000000000003 109.136 -179.615 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.63 -41.2 61.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.307 -0.87 . . . . 2.52 109.704 179.818 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.86 -49.33 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 1.75 109.907 -179.569 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.18 79.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.076 -1.015 . . . . 0.31 108.749 179.756 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.85 11.22 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.638 -0.664 . . . . 1.21 109.735 179.711 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.08 -33.6 75.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 109.914 -179.624 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -53.69 55.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.213 -0.929 . . . . 0.27000000000000002 110.084 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.34 -41.73 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.29999999999999999 109.436 -179.787 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.52 -35.58 72.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.988 179.72 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -63.76 -49.73 71.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.893 -0.78 . . . . 0.40000000000000002 108.893 179.644 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.99 -48.46 81.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 1.5900000000000001 108.896 179.673 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 17.1 m-20 -57.16 -30.53 64.55 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.61 -0.682 . . . . 1.4299999999999999 109.222 179.689 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.65000000000000002 109.528 -179.924 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.537 -0.542 . . . . 2.1099999999999999 109.537 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.55 144.8 25.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.301 -0.875 . . . . 0.64000000000000001 109.799 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.408 ' N ' ' OE1' ' A' ' 331' ' ' GLN . 78.5 m-85 -133.08 -172.51 2.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.36 -0.837 . . . . 0.48999999999999999 109.176 179.863 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.38 32.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.221 -0.925 . . . . 0.46999999999999997 108.525 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.5 tp -143.05 134.07 25.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.298 -0.876 . . . . 0.41999999999999998 109.868 -178.559 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -85.83 126.29 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.824 -0.806 . . . . 1.8100000000000001 108.824 179.61 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.64 111.52 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.463 -0.773 . . . . 0.41999999999999998 109.059 -179.694 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.51 151.06 38.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.803 . . . . 2.3500000000000001 109.865 -179.678 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 133.4 5.11 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.974 -1.251 . . . . 0.40999999999999998 109.974 179.57 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.548 ' HG2' HH11 ' C' ' 335' ' ' ARG . 2.5 ttt-85 -79.64 -45.35 19.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -1.067 . . . . 2.5899999999999999 109.059 179.695 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.23 -46.22 86.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.355 -0.841 . . . . 2.54 109.43 179.985 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -63.08 -42.23 99.6 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.417 -0.802 . . . . 3.3900000000000001 109.43 179.866 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.81 -55.42 26.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.604 -0.685 . . . . 0.46999999999999997 109.757 -179.743 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.45 -39.21 60.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 109.744 -179.756 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.36 -52.29 62.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.28 -0.888 . . . . 0.60999999999999999 110.547 -179.312 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.85 -48.08 83.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.993 -1.067 . . . . 0.33000000000000002 109.152 -179.577 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.68 -41.08 61.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.29 -0.881 . . . . 3.2799999999999998 109.752 179.809 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.93 -49.3 78.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.241 -0.912 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.09 79.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.38 108.76 179.771 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.24 -57.76 11.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.529 -0.732 . . . . 1.2 109.737 179.745 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.18 -33.56 75.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.412 -0.805 . . . . 2.1200000000000001 109.907 -179.633 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -53.67 55.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.26000000000000001 110.165 -179.513 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -41.68 97.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.40000000000000002 109.412 -179.791 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.57 -35.62 72.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 2.0899999999999999 108.915 179.721 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -63.7 -49.89 71.33 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.876 -0.787 . . . . 0.75 108.876 179.674 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.78 -48.57 81.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 2.1899999999999999 108.913 179.655 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.454 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 17.0 m-20 -57.04 -30.67 64.44 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.64 -0.663 . . . . 1.3400000000000001 109.233 179.703 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.71999999999999997 109.503 -179.887 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.447 -0.575 . . . . 1.6699999999999999 109.447 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -95.54 144.79 25.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.906 . . . . 0.60999999999999999 109.815 -179.824 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.449 ' N ' ' OE1' ' B' ' 331' ' ' GLN . 78.6 m-85 -133.07 -172.56 2.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.483 -0.761 . . . . 0.56000000000000005 109.144 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.31 31.95 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.42999999999999999 108.576 179.97 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -142.99 134.19 25.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 0.34999999999999998 109.761 -178.514 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -85.95 126.29 34.0 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.857 -0.794 . . . . 1.3700000000000001 108.857 179.561 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.65 111.44 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.437 -0.79 . . . . 0.47999999999999998 109.026 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -75.39 150.98 38.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 2.0800000000000001 109.946 -179.765 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 133.36 5.12 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.024 -1.23 . . . . 0.40000000000000002 110.024 179.587 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.536 ' HG2' HH11 ' D' ' 335' ' ' ARG . 2.5 ttt-85 -79.61 -45.36 19.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.389 -1.065 . . . . 2.6400000000000001 109.094 179.616 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.23 -46.2 86.34 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.393 -0.817 . . . . 2.2200000000000002 109.438 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -63.11 -42.26 99.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.297 -0.877 . . . . 2.7400000000000002 109.38 179.93 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -53.82 -55.41 26.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.604 -0.685 . . . . 0.42999999999999999 109.809 -179.7 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.44 -39.13 60.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 1.6899999999999999 109.784 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.38 -52.31 62.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.372 -0.83 . . . . 0.42999999999999999 110.568 -179.394 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.87 -48.15 83.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.117 -0.989 . . . . 0.27000000000000002 109.089 -179.528 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.52 -41.18 60.84 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.284 -0.885 . . . . 2.4500000000000002 109.775 179.775 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.92 -49.25 78.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -0.959 . . . . 1.75 109.934 -179.566 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.26 -37.2 79.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.071 -1.018 . . . . 0.31 108.68 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.551 -0.718 . . . . 1.22 109.775 179.729 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.04 -33.59 75.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.411 -0.806 . . . . 1.73 109.894 -179.655 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.71 55.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.87 . . . . 0.28000000000000003 110.076 -179.443 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 0.31 109.515 -179.744 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.51 -35.57 72.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.025 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -63.78 -49.78 71.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.378 -0.827 . . . . 0.42999999999999999 108.868 179.671 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.89 -48.61 81.04 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.378 -0.826 . . . . 1.5700000000000001 109.006 179.498 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 17.1 m-20 -57.09 -30.47 64.37 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.666 -0.646 . . . . 1.4399999999999999 109.287 179.632 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.68 72.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.64000000000000001 109.511 -179.938 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.181 -0.95 . . . . 1.21 109.293 179.911 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.299 0.571 . . . . 1.7 109.994 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -96.59 151.85 19.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.243 -0.91 . . . . 0.60999999999999999 109.378 179.505 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.31 4.12 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.57999999999999996 109.262 179.898 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.26 146.55 26.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.297 -0.877 . . . . 0.41999999999999998 108.762 -179.801 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.08 132.18 27.98 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.35999999999999999 109.735 -178.573 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.72 130.64 34.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.358 -0.979 . . . . 1.3700000000000001 108.358 179.12 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -123.33 113.29 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.412 -0.805 . . . . 0.46999999999999997 109.331 -179.49 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -74.49 149.52 40.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.531 -0.73 . . . . 2.1000000000000001 109.311 179.704 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 135.12 4.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.868 -1.293 . . . . 0.41999999999999998 109.868 179.836 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.77 -46.18 15.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -1.102 . . . . 2.6800000000000002 109.555 179.861 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.06 -42.83 86.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.513 -179.936 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.06 -42.87 99.64 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.337 -0.852 . . . . 2.77 109.313 179.96 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -55.54 -56.9 14.95 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.585 -0.697 . . . . 0.42999999999999999 110.039 -179.694 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.6 -37.82 51.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 110.083 -179.505 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.7 -50.78 67.83 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.44 110.502 -179.221 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.86 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.091 -1.006 . . . . 0.28999999999999998 109.189 -179.515 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.6 -43.67 62.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.293 -0.88 . . . . 2.4399999999999999 109.511 179.669 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.04 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.107 -0.995 . . . . 1.74 109.76 -179.792 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.56 -44.43 97.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.232 -0.917 . . . . 0.29999999999999999 109.463 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -58.02 -48.2 80.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 1.22 109.247 179.868 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.99 -38.41 88.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.858 . . . . 1.72 109.466 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.91 -52.31 66.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.332 -0.855 . . . . 0.27000000000000002 109.846 -179.869 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.64 -43.87 98.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.28999999999999998 109.314 -179.94 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.44 -36.62 76.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.209 179.689 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.509 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.9 tt -64.22 -51.78 62.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.456 -0.778 . . . . 0.40999999999999998 109.114 179.849 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.62 -42.05 96.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 1.5600000000000001 109.033 179.832 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -34.78 67.56 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.331 179.778 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.34 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.351 -0.843 . . . . 0.66000000000000003 109.658 -179.889 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 1.1799999999999999 109.637 -179.846 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.236 0.541 . . . . 1.6100000000000001 110.007 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -96.65 151.9 19.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.19 -0.944 . . . . 0.56999999999999995 109.357 179.492 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.29 4.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.363 -0.835 . . . . 0.53000000000000003 109.319 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.244 -0.91 . . . . 0.38 108.725 -179.78 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 51.3 tp -140.22 132.15 27.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.341 -0.849 . . . . 0.35999999999999999 109.642 -178.541 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.69 130.67 34.67 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 1.3600000000000001 108.375 179.128 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 113.35 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.419 -0.801 . . . . 0.48999999999999999 109.309 -179.448 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.7 ttt-85 -74.51 149.62 40.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.736 . . . . 2.1000000000000001 109.3 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.21 135.12 4.37 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.847 -1.301 . . . . 0.44 109.847 179.818 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.8 -46.1 15.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.304 -1.115 . . . . 2.7200000000000002 109.573 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -42.9 86.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.21 109.482 -179.977 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.08 -42.8 99.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.251 -0.906 . . . . 2.79 109.359 -179.962 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.6 -56.88 15.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.506 -0.746 . . . . 0.45000000000000001 109.993 -179.731 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.63 -37.9 52.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 1.6799999999999999 110.051 -179.482 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.59 -50.87 67.74 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.14 -0.975 . . . . 0.42999999999999999 110.481 -179.274 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.42 98.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.146 -0.971 . . . . 0.28000000000000003 109.234 -179.486 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.72 -43.6 62.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.2 -0.937 . . . . 2.52 109.436 179.734 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.09 91.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.189 -0.944 . . . . 1.75 109.737 -179.8 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.5 -44.41 97.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.931 . . . . 0.31 109.509 -179.725 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -58.05 -48.1 81.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.094 -1.004 . . . . 1.21 109.29 179.823 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.98 -38.42 88.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 1.6899999999999999 109.462 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -52.33 66.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 0.27000000000000002 109.825 -179.774 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.58 -43.97 97.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.915 . . . . 0.29999999999999999 109.331 -179.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.32 -36.71 76.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.246 -0.908 . . . . 1.9299999999999999 109.244 179.628 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.511 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.9 tt -64.16 -51.77 62.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.436 -0.79 . . . . 0.40000000000000002 109.177 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 3.2 ttmp? -60.58 -41.99 95.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.5900000000000001 109.1 179.797 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -34.75 67.8 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.26 179.795 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.87 . . . . 0.65000000000000002 109.668 -179.918 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.401 ' CD ' ' N ' ' C' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.218 0.533 . . . . 2.1099999999999999 109.943 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -96.67 151.91 19.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.227 -0.921 . . . . 0.64000000000000001 109.339 179.494 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.17 -175.25 4.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.839 . . . . 0.48999999999999999 109.248 179.928 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.32 146.57 26.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.204 -0.935 . . . . 0.46999999999999997 108.715 -179.757 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.12 132.1 27.78 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.386 -0.821 . . . . 0.41999999999999998 109.707 -178.576 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.64 130.73 34.68 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.408 -0.96 . . . . 1.8100000000000001 108.408 179.033 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.39 113.35 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.529 -0.732 . . . . 0.41999999999999998 109.307 -179.506 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.7 ttt-85 -74.47 149.53 40.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.57 -0.706 . . . . 2.3500000000000001 109.377 179.675 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.37 134.98 4.41 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.818 -1.313 . . . . 0.40999999999999998 109.818 179.766 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -80.69 -46.18 15.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -1.052 . . . . 2.5899999999999999 109.546 179.921 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.96 -42.88 85.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.862 . . . . 2.54 109.512 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -62.13 -42.81 99.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.278 -0.889 . . . . 3.3900000000000001 109.291 -179.935 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.56 -56.94 14.44 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 109.985 -179.692 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.61 -37.81 51.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.024 -179.427 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.65 -50.91 67.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.234 -0.916 . . . . 0.60999999999999999 110.482 -179.265 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.65 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.117 -0.989 . . . . 0.33000000000000002 109.312 -179.565 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.73 -43.55 62.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.266 -0.896 . . . . 3.2799999999999998 109.44 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.78 109.744 -179.807 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.242 -0.912 . . . . 0.38 109.549 -179.741 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.98 -48.23 80.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.069 -1.02 . . . . 1.2 109.227 179.799 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.92 -38.43 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.88 . . . . 2.1200000000000001 109.482 -179.958 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.0 -52.31 66.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.26000000000000001 109.763 -179.768 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.58 -43.93 97.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.40000000000000002 109.386 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.4 -36.62 76.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.907 . . . . 2.0899999999999999 109.189 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.28 -51.7 62.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.75 109.145 179.878 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.2 ttmp? -60.65 -41.94 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 109.049 179.807 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -34.77 67.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.3400000000000001 109.285 179.791 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.878 . . . . 0.71999999999999997 109.612 -179.897 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' D' ' 326' ' ' GLU . 14.5 mp0 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.255 0.55 . . . . 1.6699999999999999 110.051 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -96.59 151.79 19.26 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.179 -0.951 . . . . 0.60999999999999999 109.383 179.499 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.06 -175.25 4.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.287 -0.883 . . . . 0.56000000000000005 109.325 179.895 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.205 -0.934 . . . . 0.42999999999999999 108.68 -179.72 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -140.19 132.14 27.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.34999999999999998 109.652 -178.555 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.68 130.69 34.67 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.349 -0.982 . . . . 1.3700000000000001 108.349 179.121 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.1 mt -123.37 113.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.493 -0.754 . . . . 0.47999999999999998 109.372 -179.487 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.45 149.57 40.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.592 -0.692 . . . . 2.0800000000000001 109.307 179.758 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.27 135.08 4.39 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.833 -1.307 . . . . 0.40000000000000002 109.833 179.769 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.76 -46.21 15.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.6400000000000001 109.551 179.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.97 -42.9 86.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.533 179.997 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.11 -42.8 99.59 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.277 -0.889 . . . . 2.7400000000000002 109.342 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.57 -56.87 15.22 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 110.016 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.62 -37.83 51.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 1.6899999999999999 110.062 -179.449 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.3 ttp -63.69 -50.84 67.61 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.17 -0.956 . . . . 0.42999999999999999 110.47 -179.218 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.36 99.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.007 . . . . 0.27000000000000002 109.293 -179.596 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.8 -43.63 63.16 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.166 -0.959 . . . . 2.4500000000000002 109.367 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -46.1 91.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 1.75 109.818 -179.83 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.51 -44.37 97.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.22 -0.925 . . . . 0.31 109.559 -179.745 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -58.08 -48.16 80.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.109 -0.994 . . . . 1.22 109.22 179.838 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.0 -38.42 88.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.73 109.483 -179.959 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.89 -52.42 65.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 0.28000000000000003 109.727 -179.824 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.54 -43.87 98.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.16 -0.963 . . . . 0.31 109.412 -179.909 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.51 -36.61 76.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.132 179.685 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.29 -51.64 62.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 0.42999999999999999 109.174 179.891 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.61 -41.99 95.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.5700000000000001 109.166 179.706 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.68 -34.74 67.69 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.6 -0.688 . . . . 1.4399999999999999 109.311 179.715 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.36 84.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.369 -0.832 . . . . 0.64000000000000001 109.666 -179.927 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 1.21 109.665 -179.877 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.511 -0.552 . . . . 1.7 109.511 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.18 156.04 17.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.903 . . . . 0.60999999999999999 109.582 179.983 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -137.78 -169.65 2.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.57999999999999996 109.075 179.972 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.3 p -152.58 148.86 27.84 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.99 -1.069 . . . . 0.41999999999999998 109.026 -179.995 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.36 132.94 27.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.37 -0.831 . . . . 0.35999999999999999 109.829 -178.697 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.49 127.63 34.47 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.686 -0.857 . . . . 1.3700000000000001 108.686 179.248 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.4 mt -123.74 117.79 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 121.528 -0.733 . . . . 0.46999999999999997 109.248 -179.688 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.25 149.9 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.587 -0.696 . . . . 2.1000000000000001 110.131 -179.727 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 135.67 5.51 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.445 -1.062 . . . . 0.41999999999999998 110.445 179.274 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -82.05 -53.16 6.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 2.6800000000000002 109.225 179.575 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.94 -40.23 83.99 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.165 -0.96 . . . . 2.2200000000000002 108.678 179.355 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' C' ' 352' ' ' ASP . 4.8 ttt180 -63.2 -43.47 98.08 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.776 -0.824 . . . . 2.77 108.776 179.58 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -53.16 60.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.685 -0.634 . . . . 0.42999999999999999 109.631 179.764 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.06 -36.29 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.031 -179.502 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.97 -50.17 71.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.141 -0.975 . . . . 0.44 110.314 -179.205 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.99 -44.48 97.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.28999999999999998 109.289 -179.778 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.941 . . . . 2.4399999999999999 109.477 179.804 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.52 -45.0 95.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 1.74 109.833 -179.7 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.8 -46.16 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.29999999999999999 109.224 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.58 -48.65 80.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.173 -0.954 . . . . 1.22 109.345 179.754 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.79 -41.86 99.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 1.72 109.746 -179.843 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.24 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.845 . . . . 0.27000000000000002 109.808 -179.674 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.41 -43.1 99.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.181 -0.95 . . . . 0.28999999999999998 109.18 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -34.78 73.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 1.9099999999999999 109.183 179.53 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.71 -49.09 74.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 0.40999999999999998 109.608 -179.847 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.27 -40.97 97.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 1.5600000000000001 108.926 179.819 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' C' ' 337' ' ' ARG . 56.4 m-20 -56.58 -32.19 64.96 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.508 179.761 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.95 60.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.66000000000000003 109.715 -179.844 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.502 HE22 HD11 ' B' ' 350' ' ' LEU . 27.7 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.1799999999999999 109.569 -179.893 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.433 -0.58 . . . . 1.6100000000000001 109.433 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.24 156.06 17.05 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.56999999999999995 109.533 -179.964 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -137.87 -169.8 2.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.408 -0.807 . . . . 0.53000000000000003 108.974 179.982 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.5 148.9 27.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.098 -1.001 . . . . 0.38 109.041 -179.944 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.44 132.83 26.72 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.359 -0.838 . . . . 0.35999999999999999 109.789 -178.606 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.45 127.7 34.48 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.723 -0.843 . . . . 1.3600000000000001 108.723 179.218 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.79 117.84 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.389 -0.819 . . . . 0.48999999999999999 109.234 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.36 149.88 38.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.647 -0.658 . . . . 2.1000000000000001 110.12 -179.625 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.04 135.62 5.52 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.43 -1.068 . . . . 0.44 110.43 179.325 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.95 -53.18 6.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.359 -1.083 . . . . 2.7200000000000002 109.171 179.567 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -59.09 -40.09 84.2 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.076 -1.015 . . . . 2.21 108.704 179.472 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.412 ' NH1' ' OD2' ' D' ' 352' ' ' ASP . 4.9 ttt180 -63.2 -43.48 98.04 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.8 -0.815 . . . . 2.79 108.8 179.491 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.56 -53.25 59.71 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.686 -0.634 . . . . 0.45000000000000001 109.632 179.725 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.95 -36.29 37.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 1.6799999999999999 110.142 -179.57 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.01 -50.08 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.187 -0.946 . . . . 0.42999999999999999 110.364 -179.241 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.01 -44.61 97.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.078 -1.014 . . . . 0.28000000000000003 109.246 -179.805 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 2.52 109.374 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.35 -45.16 94.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.192 -0.942 . . . . 1.75 109.818 -179.747 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.81 -46.16 90.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.31 109.231 -179.955 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -58.64 -48.48 80.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.21 109.395 179.693 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.88 -41.86 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -0.846 . . . . 1.6899999999999999 109.718 -179.835 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.25 66.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 109.888 -179.74 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.58 -43.07 99.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.29999999999999999 109.09 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.88 -34.77 73.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.932 . . . . 1.9299999999999999 109.176 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.502 HD11 HE22 ' A' ' 354' ' ' GLN . 27.3 tp -63.74 -49.0 74.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.574 -179.838 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.38 -40.94 98.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.33 -0.856 . . . . 1.5900000000000001 108.878 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH1' ' D' ' 337' ' ' ARG . 56.4 m-20 -56.65 -32.08 65.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.711 -0.618 . . . . 1.4299999999999999 109.526 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.268 -0.895 . . . . 0.65000000000000002 109.682 -179.826 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.423 -0.584 . . . . 2.1099999999999999 109.423 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.23 156.21 16.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.88 . . . . 0.64000000000000001 109.532 -179.992 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.95 -169.8 2.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.343 -0.848 . . . . 0.48999999999999999 108.982 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.53 148.84 27.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.46999999999999997 109.026 -179.997 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.37 132.87 26.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.276 -0.89 . . . . 0.41999999999999998 109.857 -178.713 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.42 127.61 34.44 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.7 -0.852 . . . . 1.8100000000000001 108.7 179.268 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.72 117.82 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.491 -0.755 . . . . 0.41999999999999998 109.215 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.26 149.89 38.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.625 -0.672 . . . . 2.3500000000000001 110.07 -179.695 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 135.51 5.48 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.436 -1.066 . . . . 0.40999999999999998 110.436 179.209 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.8 -53.23 6.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.372 -1.075 . . . . 2.5899999999999999 109.221 179.529 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -59.03 -40.06 83.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.068 -1.02 . . . . 2.54 108.633 179.501 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 352' ' ' ASP . 4.8 ttt180 -63.36 -43.39 97.81 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.73 -0.841 . . . . 3.3900000000000001 108.73 179.621 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -56.65 -53.17 60.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.747 -0.596 . . . . 0.46999999999999997 109.631 179.691 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -51.0 -36.28 38.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.889 . . . . 1.6599999999999999 110.107 -179.56 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.0 -50.18 71.74 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.092 -1.005 . . . . 0.60999999999999999 110.354 -179.24 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.94 -44.56 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.039 -1.038 . . . . 0.33000000000000002 109.292 -179.852 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.43 -41.54 60.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.214 -0.929 . . . . 3.2799999999999998 109.413 179.844 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.41 -45.18 94.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.895 . . . . 1.78 109.802 -179.782 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.69 -46.14 90.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.38 109.299 -179.993 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -58.64 -48.5 80.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.331 -0.855 . . . . 1.2 109.334 179.746 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.96 -41.78 99.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.737 -179.822 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.33 66.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.26000000000000001 109.845 -179.728 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -43.26 99.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.40000000000000002 109.127 179.99 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.414 ' HG3' HH22 ' A' ' 337' ' ' ARG . 42.9 mt-10 -59.75 -34.84 73.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 2.0899999999999999 109.144 179.511 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.513 HD11 HE22 ' D' ' 354' ' ' GLN . 27.2 tp -63.71 -49.1 74.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.356 -0.84 . . . . 0.75 109.546 -179.832 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 2.1899999999999999 108.938 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 337' ' ' ARG . 56.5 m-20 -56.64 -32.02 64.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.57 -0.706 . . . . 1.3400000000000001 109.547 179.786 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.837 . . . . 0.71999999999999997 109.712 -179.838 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.455 -0.572 . . . . 1.6699999999999999 109.455 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.26 156.14 17.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 0.60999999999999999 109.583 179.991 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -137.84 -169.61 2.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.56000000000000005 109.053 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.67 148.66 27.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.034 -1.041 . . . . 0.42999999999999999 109.026 -179.907 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -141.3 132.87 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.434 -0.791 . . . . 0.34999999999999998 109.895 -178.738 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.34 127.64 34.42 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.739 -0.838 . . . . 1.3700000000000001 108.739 179.251 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.69 117.84 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.508 -0.745 . . . . 0.47999999999999998 109.198 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.32 149.97 38.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 2.0800000000000001 110.104 -179.753 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 135.69 5.5 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.4 -1.08 . . . . 0.40000000000000002 110.4 179.204 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.93 -53.23 6.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.418 -1.048 . . . . 2.6400000000000001 109.235 179.55 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.96 -40.15 83.85 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.157 -0.964 . . . . 2.2200000000000002 108.657 179.476 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH1' ' OD2' ' B' ' 352' ' ' ASP . 4.8 ttt180 -63.28 -43.43 97.95 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.759 -0.83 . . . . 2.7400000000000002 108.759 179.604 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -56.65 -53.19 60.57 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.698 -0.626 . . . . 0.42999999999999999 109.547 179.823 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.03 -36.23 38.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 1.6899999999999999 110.126 -179.528 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.06 -50.16 71.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.096 -1.002 . . . . 0.42999999999999999 110.285 -179.223 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.92 -44.56 97.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.27000000000000002 109.27 -179.801 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -51.4 -41.58 60.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 2.4500000000000002 109.438 179.826 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.38 -45.18 94.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.909 . . . . 1.75 109.829 -179.77 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.7 -46.13 91.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 0.31 109.309 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.64 -48.57 80.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.22 109.333 179.736 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.85 -41.79 99.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.73 109.726 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.2 66.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.842 . . . . 0.28000000000000003 109.888 -179.724 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.44 -43.25 99.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.146 -0.971 . . . . 0.31 109.116 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.84 -34.8 73.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 1.9099999999999999 109.135 179.538 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.67 -49.08 74.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 109.614 -179.895 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.34 -40.97 98.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 1.5700000000000001 108.868 179.818 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD2' ' NH1' ' B' ' 337' ' ' ARG . 56.1 m-20 -56.71 -32.04 65.09 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.684 -0.635 . . . . 1.4399999999999999 109.495 179.874 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.9 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.64000000000000001 109.729 -179.876 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.513 HE22 HD11 ' C' ' 350' ' ' LEU . 27.7 mt-30 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 1.21 109.522 -179.85 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.28 0.562 . . . . 1.7 109.632 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -94.83 155.42 16.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.894 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -138.57 -174.91 3.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.57999999999999996 108.985 179.639 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.43 118.25 5.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.41999999999999998 109.061 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -109.38 136.54 48.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.679 -0.638 . . . . 0.35999999999999999 109.913 -178.731 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.78 128.78 35.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.384 -0.822 . . . . 1.3700000000000001 108.906 179.147 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.93 117.13 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.399 -0.813 . . . . 0.46999999999999997 109.432 -179.671 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.01 155.78 34.63 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.612 -0.68 . . . . 2.1000000000000001 109.931 179.973 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 144.64 7.08 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.175 -1.17 . . . . 0.41999999999999998 110.175 179.167 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.6 OUTLIER -81.71 -50.32 9.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.984 . . . . 2.6800000000000002 109.218 179.662 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.16 -40.56 81.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 2.2200000000000002 109.229 179.766 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.635 ' CB ' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.24 73.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.462 -0.774 . . . . 2.77 109.588 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -54.46 -58.28 8.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.517 -0.74 . . . . 0.42999999999999999 109.596 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.49 -41.05 60.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.677 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.22 -51.75 62.17 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.251 -0.906 . . . . 0.44 110.216 -179.295 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.59 -46.59 89.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 0.28999999999999998 108.954 -179.697 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -49.99 -42.31 48.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.377 -0.827 . . . . 2.4399999999999999 109.324 179.611 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.09 -44.66 91.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.267 -0.896 . . . . 1.74 109.737 -179.833 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.65 -46.47 89.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.955 . . . . 0.29999999999999999 109.161 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.43 -50.43 73.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.483 -0.761 . . . . 1.22 109.547 179.914 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.39 -35.8 80.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 1.72 109.621 -179.934 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.41 -55.97 27.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.414 -0.804 . . . . 0.27000000000000002 110.021 -179.696 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.432 HD13 ' HE ' ' C' ' 337' ' ' ARG . 33.1 mt -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.28999999999999998 109.307 -179.766 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.89 -38.42 78.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.9099999999999999 109.111 179.85 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.58 -45.77 91.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.357 -0.839 . . . . 0.40999999999999998 108.853 179.715 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.91 -52.3 60.48 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.806 0.812 . . . . 1.5600000000000001 108.861 179.207 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -55.18 -34.78 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.27 -0.641 . . . . 1.4299999999999999 109.27 179.864 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.47 69.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.66000000000000003 109.301 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 1.1799999999999999 109.407 179.946 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.283 0.563 . . . . 1.6100000000000001 109.647 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.82 155.44 16.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.228 -0.92 . . . . 0.56999999999999995 109.835 -179.966 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.64 -175.0 3.98 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.83 . . . . 0.53000000000000003 108.989 179.71 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 36.0 p -152.46 118.24 5.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.162 -0.961 . . . . 0.38 109.073 -179.986 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -109.38 136.5 48.71 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.44 0.638 . . . . 0.35999999999999999 109.896 -178.707 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.74 128.77 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 1.3600000000000001 108.896 179.154 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.96 117.2 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 121.47 -0.769 . . . . 0.48999999999999999 109.414 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -76.04 155.8 34.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.597 -0.689 . . . . 2.1000000000000001 109.929 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.66 7.07 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.187 -1.165 . . . . 0.44 110.187 179.163 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.6 OUTLIER -81.72 -50.31 9.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -1.019 . . . . 2.7200000000000002 109.269 179.644 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.15 -40.56 81.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -0.809 . . . . 2.21 109.216 179.763 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.63 ' CB ' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.3 73.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.432 -0.793 . . . . 2.79 109.512 -179.994 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.39 -58.26 8.1 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.428 -0.795 . . . . 0.45000000000000001 109.577 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.58 -40.94 60.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.254 -0.904 . . . . 1.6799999999999999 109.749 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.3 -51.62 62.58 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.279 -0.888 . . . . 0.42999999999999999 110.275 -179.369 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.62 -46.57 89.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.091 -1.006 . . . . 0.28000000000000003 109.005 -179.731 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -50.01 -42.22 48.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.346 179.606 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.19 -44.52 92.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.75 109.762 -179.849 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.63 -46.49 89.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.31 109.223 179.764 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.51 -50.37 74.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 1.21 109.625 179.859 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.38 -35.87 80.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.543 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.41 -55.98 27.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.27000000000000002 109.985 -179.669 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -60.64 -40.0 90.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.29999999999999999 109.328 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.94 -38.23 78.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.892 . . . . 1.9299999999999999 109.212 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.83 -45.65 91.63 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.804 -0.813 . . . . 0.40000000000000002 108.804 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.99 -52.32 60.14 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.853 -0.795 . . . . 1.5900000000000001 108.853 179.21 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.1 -34.82 64.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.323 -0.621 . . . . 1.4299999999999999 109.323 179.779 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 0.65000000000000002 109.293 179.903 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.228 0.537 . . . . 2.1099999999999999 109.598 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.8 155.6 16.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.303 -0.873 . . . . 0.64000000000000001 109.753 -179.936 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.72 -175.02 3.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.365 -0.834 . . . . 0.48999999999999999 108.935 179.694 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 36.1 p -152.43 118.28 5.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.46999999999999997 109.1 179.984 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.41 136.47 48.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.663 -0.648 . . . . 0.41999999999999998 109.876 -178.648 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.65 128.75 35.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.8100000000000001 108.902 179.09 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.98 117.1 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.487 -0.758 . . . . 0.41999999999999998 109.456 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.02 155.81 34.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.579 -0.701 . . . . 2.3500000000000001 109.945 -179.993 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.72 7.11 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.252 -1.139 . . . . 0.40999999999999998 110.252 179.214 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.6 OUTLIER -81.8 -50.35 9.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.5899999999999999 109.168 179.708 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -58.12 -40.52 81.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 2.54 109.227 179.789 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.633 ' CB ' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -50.25 73.41 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.42 -0.8 . . . . 3.3900000000000001 109.489 -179.964 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -54.43 -58.3 7.99 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.578 -0.701 . . . . 0.46999999999999997 109.581 -179.962 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.48 -41.04 60.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.753 -179.929 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.221 -0.924 . . . . 0.60999999999999999 110.236 -179.345 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.48 -46.63 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.11 -0.994 . . . . 0.33000000000000002 109.021 -179.768 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -50.04 -42.23 49.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.2799999999999998 109.312 179.654 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.15 -44.62 92.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.78 109.763 -179.861 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.58 -46.61 89.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.149 -0.969 . . . . 0.38 109.138 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.323 -0.861 . . . . 1.2 109.598 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 2.1200000000000001 109.558 -179.893 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.33 -56.05 27.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 0.26000000000000001 109.952 -179.661 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.431 HD13 ' HE ' ' A' ' 337' ' ' ARG . 33.1 mt -60.67 -40.0 90.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.938 . . . . 0.40000000000000002 109.268 -179.667 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.97 -38.29 78.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.925 . . . . 2.0899999999999999 109.163 179.782 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.85 -45.52 92.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.824 . . . . 0.75 108.783 179.785 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -64.04 -52.34 59.89 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.764 0.793 . . . . 2.1899999999999999 108.895 179.114 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.13 -34.73 64.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.35 -0.611 . . . . 1.3400000000000001 109.35 179.758 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 0.71999999999999997 109.372 179.83 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.241 0.543 . . . . 1.6699999999999999 109.595 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.91 155.52 16.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.60999999999999999 109.776 -179.919 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.67 -175.0 3.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.409 -0.807 . . . . 0.56000000000000005 108.98 179.656 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.42 118.49 5.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.23 -0.919 . . . . 0.42999999999999999 109.011 179.972 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.58 136.53 48.81 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.41 0.624 . . . . 0.34999999999999998 109.85 -178.722 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.71 128.68 35.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.375 -0.828 . . . . 1.3700000000000001 108.874 179.15 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.93 117.11 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.396 -0.815 . . . . 0.47999999999999998 109.472 -179.749 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -75.99 155.66 34.79 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.618 -0.676 . . . . 2.0800000000000001 109.961 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.2 144.63 7.18 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.26 -1.136 . . . . 0.40000000000000002 110.26 179.196 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.559 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.6 OUTLIER -81.66 -50.42 9.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -1.058 . . . . 2.6400000000000001 109.227 179.663 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.03 -40.61 81.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.279 179.752 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.628 ' CB ' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -50.16 73.7 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.352 -0.843 . . . . 2.7400000000000002 109.529 -179.98 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.54 -58.19 8.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.48 -0.762 . . . . 0.42999999999999999 109.586 -179.97 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.48 -41.06 60.66 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.272 -0.893 . . . . 1.6899999999999999 109.718 -179.95 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -64.2 -51.75 62.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.173 -0.954 . . . . 0.42999999999999999 110.315 -179.343 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.61 -46.44 89.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.191 -0.943 . . . . 0.27000000000000002 109.072 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.11 -42.2 49.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.245 -0.91 . . . . 2.4500000000000002 109.268 179.555 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.16 -44.57 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 1.75 109.734 -179.824 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.69 -46.47 89.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -0.921 . . . . 0.31 109.148 179.856 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.48 -50.37 73.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.327 -0.858 . . . . 1.22 109.598 179.9 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.47 -35.74 80.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 1.73 109.586 -179.927 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.46 -55.85 29.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.28000000000000003 110.051 -179.737 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.427 HD13 ' HE ' ' B' ' 337' ' ' ARG . 33.8 mt -60.82 -39.91 90.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 0.31 109.268 -179.705 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.95 -38.38 78.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.165 179.75 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.76 -45.55 92.15 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.788 -0.819 . . . . 0.42999999999999999 108.788 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -64.08 -52.21 60.35 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.751 0.786 . . . . 1.5700000000000001 108.898 179.151 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.16 -34.83 64.15 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 109.329 -0.619 . . . . 1.4399999999999999 109.329 179.742 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.55 69.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 0.64000000000000001 109.336 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.345 -0.847 . . . . 1.21 109.436 179.976 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.211 0.529 . . . . 1.7 109.685 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 38.3 m-85 -95.68 158.18 15.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.455 179.674 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -139.62 140.05 36.87 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.425 -0.797 . . . . 0.57999999999999996 108.961 179.428 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.75 161.33 13.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.41999999999999998 109.562 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.7 tp -148.55 134.02 18.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 0.35999999999999999 109.998 -179.411 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.08 131.63 34.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.483 -0.76 . . . . 1.3700000000000001 109.531 179.588 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.9 mt -124.12 117.02 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 N-CA-C 108.921 -0.77 . . . . 0.46999999999999997 108.921 179.725 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.45 148.79 38.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -0.845 . . . . 2.1000000000000001 109.895 -179.841 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.99 139.85 5.41 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.131 -1.188 . . . . 0.41999999999999998 110.131 179.261 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -84.05 -46.27 12.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -1.051 . . . . 2.6800000000000002 109.283 179.743 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.01 -38.39 76.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 2.2200000000000002 109.07 179.813 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.3 tpp180 -61.8 -37.14 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.422 -0.799 . . . . 2.77 109.426 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -56.16 -52.08 65.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.451 -0.781 . . . . 0.42999999999999999 109.792 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -52.52 -38.3 59.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.241 -0.912 . . . . 1.6599999999999999 109.794 -179.69 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.66 14.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.186 -0.946 . . . . 0.44 110.238 -179.407 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.04 -44.07 97.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.28999999999999998 108.574 179.924 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.425 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.8 OUTLIER -51.49 -42.53 61.74 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.453 -0.78 . . . . 2.4399999999999999 109.454 179.541 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -60.03 -52.87 63.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.74 109.606 -179.796 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.12 -37.3 79.62 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.256 -0.902 . . . . 0.29999999999999999 108.579 179.638 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.36 -55.79 30.48 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.461 -0.774 . . . . 1.22 109.42 179.536 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.98 -32.88 74.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 1.72 109.519 179.911 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -51.35 69.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.27000000000000002 109.605 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.453 HD22 ' NH1' ' C' ' 337' ' ' ARG . 62.7 mt -61.38 -47.68 84.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.28999999999999998 109.356 179.81 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.7 -35.98 73.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 1.9099999999999999 109.234 179.823 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.11 -49.02 73.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.333 179.84 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 3.5 ttmp? -62.6 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 1.5600000000000001 108.984 179.92 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.76 -34.11 67.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.482 179.742 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.6 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.339 -0.85 . . . . 0.66000000000000003 109.716 -179.827 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.1799999999999999 109.536 -179.857 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.279 0.561 . . . . 1.6100000000000001 109.638 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.9 m-85 -95.69 158.13 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.218 -0.926 . . . . 0.56999999999999995 109.481 179.64 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.0 36.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.33 -0.856 . . . . 0.53000000000000003 109.032 179.406 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -97.74 161.43 13.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.269 -0.895 . . . . 0.38 109.523 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.64 134.01 18.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.862 . . . . 0.35999999999999999 109.893 -179.353 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.49 34.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 1.3600000000000001 109.493 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 61.5 mt -123.91 116.99 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.942 -0.762 . . . . 0.48999999999999999 108.942 179.692 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 2.1000000000000001 109.995 -179.937 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.86 5.47 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.119 -1.192 . . . . 0.44 110.119 179.266 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -84.14 -46.19 12.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -1.046 . . . . 2.7200000000000002 109.327 179.719 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -58.1 -38.25 76.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 2.21 109.155 179.768 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.467 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.3 tpp180 -61.78 -37.14 83.23 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.379 -0.826 . . . . 2.79 109.526 179.735 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.19 -52.09 65.66 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.778 . . . . 0.45000000000000001 109.754 -179.957 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.47 -38.38 59.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.76 -179.631 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.53 15.69 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.219 -0.926 . . . . 0.42999999999999999 110.242 -179.326 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.14 -44.05 97.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 0.28000000000000003 108.493 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.428 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.8 OUTLIER -51.52 -42.62 61.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.434 -0.791 . . . . 2.52 109.345 179.59 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -60.06 -52.82 63.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -0.917 . . . . 1.75 109.58 -179.717 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.508 -0.923 . . . . 0.31 108.508 179.618 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.26 -55.84 29.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.459 -0.776 . . . . 1.21 109.378 179.573 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.95 -32.89 74.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.524 179.967 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.55 -51.4 69.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.362 -0.836 . . . . 0.27000000000000002 109.641 -179.901 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.452 HD22 ' NH1' ' D' ' 337' ' ' ARG . 62.6 mt -61.35 -47.76 84.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -0.873 . . . . 0.29999999999999999 109.331 179.832 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.178 -0.951 . . . . 1.9299999999999999 109.233 179.835 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.13 -49.12 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.399 -0.813 . . . . 0.40000000000000002 109.247 179.961 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' A' ' 347' ' ' ALA . 3.5 ttmp? -62.49 -43.41 98.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.411 -0.805 . . . . 1.5900000000000001 108.964 179.968 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.77 -34.21 67.38 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.597 -0.689 . . . . 1.4299999999999999 109.346 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.65000000000000002 109.712 -179.802 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.238 0.542 . . . . 2.1099999999999999 109.678 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.5 m-85 -95.71 158.21 15.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.64000000000000001 109.46 179.666 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.63 140.03 36.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.25 -0.906 . . . . 0.48999999999999999 109.02 179.402 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 60.9 p -97.68 161.44 13.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.46999999999999997 109.552 -179.757 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.66 134.05 18.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.41999999999999998 109.959 -179.43 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.12 131.59 34.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.584 -0.698 . . . . 1.8100000000000001 109.506 179.584 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.02 117.03 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.957 -0.757 . . . . 0.41999999999999998 108.957 179.661 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.38 148.83 38.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.506 -0.746 . . . . 2.3500000000000001 109.971 -179.928 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.97 139.89 5.41 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.147 -1.181 . . . . 0.40999999999999998 110.147 179.276 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -84.1 -46.17 12.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -1.078 . . . . 2.5899999999999999 109.343 179.702 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -58.09 -38.27 76.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 2.54 109.083 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.453 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -61.78 -37.18 83.39 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.404 -0.81 . . . . 3.3900000000000001 109.451 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.08 -52.2 65.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.469 -0.77 . . . . 0.46999999999999997 109.738 -179.904 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.46 -38.38 59.16 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.745 -179.609 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.28 -56.66 14.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.199 -0.938 . . . . 0.60999999999999999 110.218 -179.349 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.05 -44.17 97.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.981 -1.074 . . . . 0.33000000000000002 108.554 179.939 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.431 ' HB3' HH11 ' C' ' 342' ' ' ARG . 0.8 OUTLIER -51.33 -42.62 61.36 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.548 -0.72 . . . . 3.2799999999999998 109.514 179.46 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.02 -52.83 63.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 1.78 109.612 -179.776 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.13 -37.35 79.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.38 108.536 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.3 -55.8 30.31 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.459 -0.776 . . . . 1.2 109.383 179.571 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.06 -32.89 74.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.448 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -51.27 70.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.838 . . . . 0.26000000000000001 109.57 -179.836 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.471 HD22 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.4 -47.67 84.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.40000000000000002 109.347 179.825 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.7 -35.99 73.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.231 -0.918 . . . . 2.0899999999999999 109.196 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.09 -49.11 73.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.75 109.283 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.5 ttmp? -62.52 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.433 -0.792 . . . . 2.1899999999999999 108.963 -179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.78 -34.18 67.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.582 -0.699 . . . . 1.3400000000000001 109.444 179.794 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.309 -0.869 . . . . 0.71999999999999997 109.705 -179.869 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.262 0.554 . . . . 1.6699999999999999 109.696 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 38.3 m-85 -95.73 158.16 15.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.182 -0.949 . . . . 0.60999999999999999 109.433 179.65 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.6 140.1 36.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.56000000000000005 108.964 179.405 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.1 p -97.76 161.31 13.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.273 -0.892 . . . . 0.42999999999999999 109.525 -179.771 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.56 134.06 18.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.176 -0.953 . . . . 0.34999999999999998 109.884 -179.405 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.58 34.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.498 -0.751 . . . . 1.3700000000000001 109.481 179.555 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.7 mt -123.99 116.99 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.948 -0.76 . . . . 0.47999999999999998 108.948 179.665 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.456 -0.778 . . . . 2.0800000000000001 110.002 -179.912 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.05 139.83 5.44 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.105 -1.198 . . . . 0.40000000000000002 110.105 179.285 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -84.08 -46.21 12.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -1.143 . . . . 2.6400000000000001 109.303 179.727 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.08 -38.27 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.108 179.797 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.452 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.3 tpp180 -61.86 -37.15 83.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.375 -0.828 . . . . 2.7400000000000002 109.413 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.09 -52.17 65.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.504 -0.748 . . . . 0.42999999999999999 109.767 -179.961 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.44 -38.39 59.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.6899999999999999 109.78 -179.664 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttp -63.24 -56.58 15.42 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.251 -0.906 . . . . 0.42999999999999999 110.3 -179.376 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -44.03 97.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.007 -1.058 . . . . 0.27000000000000002 108.534 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -51.42 -42.56 61.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.498 -0.751 . . . . 2.4500000000000002 109.433 179.491 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.96 -52.96 63.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 1.75 109.59 -179.797 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.08 -37.31 79.53 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.927 . . . . 0.31 108.57 179.647 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.38 -55.78 30.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.495 -0.753 . . . . 1.22 109.391 179.556 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.99 -32.98 74.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.345 -0.847 . . . . 1.73 109.442 179.941 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.5 -51.36 69.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 0.28000000000000003 109.634 -179.823 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.467 HD22 ' NH1' ' B' ' 337' ' ' ARG . 62.5 mt -61.35 -47.62 85.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.31 109.394 179.778 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -58.76 -36.03 73.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 1.9099999999999999 109.155 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.03 -49.15 73.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 109.26 179.893 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.5 ttmp? -62.56 -43.39 98.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.292 -0.88 . . . . 1.5700000000000001 108.977 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.73 -34.18 67.26 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.458 179.76 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.68 82.83 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.64000000000000001 109.75 -179.834 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.85 . . . . 1.21 109.574 -179.896 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 1.7 109.493 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -97.65 149.4 22.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.203 -0.936 . . . . 0.60999999999999999 110.05 -179.812 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -138.98 138.6 37.43 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.545 -0.909 . . . . 0.57999999999999996 108.545 179.059 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.9 p -98.03 163.96 12.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.396 -0.815 . . . . 0.41999999999999998 109.249 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.84 131.36 15.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 0.35999999999999999 109.859 -179.184 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.18 127.23 34.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 1.3700000000000001 108.838 179.52 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.33 113.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.458 -0.777 . . . . 0.46999999999999997 109.659 -179.512 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.423 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.44 32.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 2.1000000000000001 109.808 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 134.57 3.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.016 -1.234 . . . . 0.41999999999999998 110.016 179.442 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.94 -48.81 11.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -1.133 . . . . 2.6800000000000002 109.211 179.66 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.62 -42.43 88.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.154 179.77 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.81 . . . . 2.77 109.257 179.865 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -55.38 -56.48 19.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.559 -0.713 . . . . 0.42999999999999999 109.541 179.897 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.24 -38.94 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.328 -0.858 . . . . 1.6599999999999999 109.781 -179.625 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.12 -54.22 41.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 0.44 110.079 -179.454 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.83 -45.76 93.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.28999999999999998 108.972 -179.986 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.354 -0.841 . . . . 2.4399999999999999 109.284 179.869 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.21 -51.88 64.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 1.74 109.498 179.754 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.15 -35.93 74.38 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.695 -0.854 . . . . 0.29999999999999999 108.695 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.47 -56.97 15.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.475 -0.766 . . . . 1.22 109.225 179.453 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.01 -29.48 70.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 1.72 109.716 -179.968 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.5 -55.23 37.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.241 -0.912 . . . . 0.27000000000000002 109.944 -179.581 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.66 -40.72 93.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.28999999999999998 109.405 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.72 -36.19 78.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.473 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.24 -52.85 56.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.265 -0.897 . . . . 0.40999999999999998 109.124 179.994 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.93 -47.32 85.42 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 1.5600000000000001 109.052 179.689 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -35.66 71.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.054 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.42 72.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.339 -0.851 . . . . 0.66000000000000003 109.513 -179.989 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.296 -0.877 . . . . 1.1799999999999999 109.725 -179.825 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.473 -0.565 . . . . 1.6100000000000001 109.473 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -97.72 149.38 22.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.29 -0.881 . . . . 0.56999999999999995 110.059 -179.791 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.47 37.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.552 -0.907 . . . . 0.53000000000000003 108.552 179.156 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -97.98 163.82 12.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.316 -0.865 . . . . 0.38 109.295 -179.873 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -148.64 131.47 16.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.35999999999999999 109.907 -179.249 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.14 127.19 34.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 1.3600000000000001 108.878 179.471 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.79 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.518 -0.739 . . . . 0.48999999999999999 109.634 -179.509 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.412 HH11 ' CG ' ' B' ' 333' ' ' ARG . 1.1 ttt-85 -76.82 155.43 33.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 2.1000000000000001 109.752 179.717 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.06 134.51 3.11 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.036 -1.225 . . . . 0.44 110.036 179.391 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.63 12.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -1.122 . . . . 2.7200000000000002 109.247 179.689 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.83 -42.38 89.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 2.21 109.083 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.77 -43.63 97.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.278 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.39 -56.47 19.71 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.527 -0.733 . . . . 0.45000000000000001 109.522 179.854 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.27 -38.88 28.64 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.834 -179.635 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.1 -54.21 41.45 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.218 -0.926 . . . . 0.42999999999999999 110.078 -179.455 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.87 -45.82 93.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.119 -0.988 . . . . 0.28000000000000003 108.903 -179.927 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.53 -40.24 59.27 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.428 -0.795 . . . . 2.52 109.281 179.906 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -63.17 -51.88 64.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.091 -1.006 . . . . 1.75 109.526 179.782 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.05 -35.94 74.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.31 108.674 179.871 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.63 -56.86 16.72 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.52 -0.737 . . . . 1.21 109.2 179.601 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.01 -29.57 70.71 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.333 -0.854 . . . . 1.6899999999999999 109.633 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.46 -55.28 37.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.907 . . . . 0.27000000000000002 109.958 -179.524 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.66 -40.61 92.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.242 -0.911 . . . . 0.29999999999999999 109.457 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.8 -36.25 78.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.418 179.873 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.18 -52.8 57.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.40000000000000002 109.044 -179.963 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -62.01 -47.39 84.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.389 -0.82 . . . . 1.5900000000000001 109.025 179.745 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -35.71 71.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.093 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.424 0 O-C-N 121.307 -0.871 . . . . 0.65000000000000002 109.539 -179.983 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.475 -0.565 . . . . 2.1099999999999999 109.475 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.63 149.45 22.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.214 -0.929 . . . . 0.64000000000000001 110.065 -179.862 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.65 37.32 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.485 -0.931 . . . . 0.48999999999999999 108.485 179.069 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -98.11 163.83 12.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.285 -0.885 . . . . 0.46999999999999997 109.28 -179.915 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.72 131.51 16.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.174 -0.954 . . . . 0.41999999999999998 109.91 -179.292 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.16 127.28 34.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 1.8100000000000001 108.828 179.525 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.47 113.79 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.55 -0.719 . . . . 0.41999999999999998 109.584 -179.508 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.1 ttt-85 -76.86 155.5 32.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 2.3500000000000001 109.735 179.735 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.04 134.49 3.09 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.053 -1.219 . . . . 0.40999999999999998 110.053 179.441 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.86 -48.81 11.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -1.081 . . . . 2.5899999999999999 109.201 179.674 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.71 -42.35 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.336 -0.852 . . . . 2.54 109.113 179.806 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.377 -0.827 . . . . 3.3900000000000001 109.199 179.84 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -55.4 -56.44 20.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 109.505 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.2 -39.0 28.0 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.804 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.11 -54.24 40.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.245 -0.91 . . . . 0.60999999999999999 110.079 -179.439 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.66 -45.92 92.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.33000000000000002 108.923 -179.969 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.5 -40.26 59.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.4 -0.813 . . . . 3.2799999999999998 109.335 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.13 -51.88 64.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.0 -1.063 . . . . 1.78 109.545 179.694 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.16 -35.91 74.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.38 108.673 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -58.6 -56.87 16.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.458 -0.776 . . . . 1.2 109.214 179.545 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.08 -29.52 70.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.684 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.51 -55.12 39.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.303 -0.873 . . . . 0.26000000000000001 110.069 -179.618 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.74 -40.56 92.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -0.993 . . . . 0.40000000000000002 109.446 -179.852 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -60.8 -36.24 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 2.0899999999999999 109.51 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -64.21 -52.82 56.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.75 109.044 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.98 -47.32 85.36 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.452 -0.78 . . . . 2.1899999999999999 109.079 179.73 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -35.73 71.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.498 -0.751 . . . . 1.3400000000000001 109.074 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.389 -0.819 . . . . 0.71999999999999997 109.527 -179.974 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.481 -0.563 . . . . 1.6699999999999999 109.481 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.69 149.39 22.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.60999999999999999 110.058 -179.832 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.01 138.53 37.3 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.56 -0.904 . . . . 0.56000000000000005 108.56 179.11 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -97.92 163.87 12.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.313 -0.867 . . . . 0.42999999999999999 109.303 -179.909 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -148.74 131.46 15.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.175 -0.953 . . . . 0.34999999999999998 109.872 -179.315 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.05 127.21 34.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.3700000000000001 108.902 179.433 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.77 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.519 -0.738 . . . . 0.47999999999999998 109.593 -179.526 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.406 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.45 32.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 2.0800000000000001 109.788 179.62 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 134.61 3.14 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.996 -1.242 . . . . 0.40000000000000002 109.996 179.378 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.71 11.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -1.107 . . . . 2.6400000000000001 109.242 179.686 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.81 -42.28 88.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.319 -0.863 . . . . 2.2200000000000002 109.14 179.818 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.358 -0.838 . . . . 2.7400000000000002 109.253 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.42 -56.45 20.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.49 -0.756 . . . . 0.42999999999999999 109.507 179.983 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.21 -38.87 27.7 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.867 -179.659 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.24 -54.1 42.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 110.085 -179.487 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.83 -45.79 93.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.27000000000000002 108.985 -179.976 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.23 59.32 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.371 -0.83 . . . . 2.4500000000000002 109.31 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.052 -1.03 . . . . 1.75 109.545 179.728 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.1 -36.0 74.39 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.268 -0.895 . . . . 0.31 108.693 179.831 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -58.47 -56.96 15.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.47 -0.769 . . . . 1.22 109.301 179.449 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.05 -29.48 70.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 1.73 109.765 179.97 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.45 -55.32 36.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.232 -0.917 . . . . 0.28000000000000003 109.942 -179.629 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.55 -40.77 92.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 0.31 109.395 -179.776 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -60.73 -36.28 78.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.209 -0.932 . . . . 1.9099999999999999 109.464 179.918 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.09 -52.93 56.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -0.82 . . . . 0.42999999999999999 109.063 -179.995 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.434 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.94 -47.36 85.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.417 -0.802 . . . . 1.5700000000000001 109.05 179.762 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.96 -35.75 71.59 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.028 -0.73 . . . . 1.4399999999999999 109.028 179.673 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.43 72.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.512 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.3 -0.875 . . . . 1.21 109.7 -179.773 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.246 0.546 . . . . 1.7 109.584 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -93.95 154.37 17.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.25 -0.906 . . . . 0.60999999999999999 109.464 179.849 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -141.22 137.12 32.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.357 -0.839 . . . . 0.57999999999999996 108.978 179.426 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.86 164.76 12.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.436 -0.79 . . . . 0.41999999999999998 109.313 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.09 131.84 15.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.35999999999999999 109.602 -179.706 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.43 127.35 33.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.105 179.621 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.95 115.46 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.592 -0.692 . . . . 0.46999999999999997 109.563 -179.607 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.35 151.05 38.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 2.1000000000000001 109.977 179.716 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.62 4.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.351 -1.1 . . . . 0.41999999999999998 110.351 179.172 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.03 -44.76 12.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.416 -1.05 . . . . 2.6800000000000002 109.22 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.22 -46.11 86.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.153 -0.967 . . . . 2.2200000000000002 109.083 179.782 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.34 -0.85 . . . . 2.77 109.429 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -54.08 -55.75 24.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.387 -0.821 . . . . 0.42999999999999999 109.321 179.919 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.52 -36.05 54.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.499 -179.828 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -51.95 63.73 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.338 -0.851 . . . . 0.44 110.056 -179.48 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -41.57 95.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.28999999999999998 108.978 -179.85 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.7 -43.22 62.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 2.4399999999999999 109.207 179.603 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' B' ' 351' ' ' LYS . 9.9 tp10 -60.08 -52.05 66.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.351 -0.843 . . . . 1.74 109.614 179.92 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.946 . . . . 0.29999999999999999 108.855 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.07 -55.92 28.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.392 -0.817 . . . . 1.22 109.433 179.452 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 97.7 mt-10 -63.67 -32.71 74.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.837 . . . . 1.72 110.026 -179.828 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.59 -52.75 64.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 109.987 -179.481 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.66 -43.75 98.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.184 -0.947 . . . . 0.28999999999999998 109.464 -179.878 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.72 -33.56 70.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.9099999999999999 109.56 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.34 -54.33 30.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.40999999999999998 109.407 -179.78 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.69 86.82 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.326 -0.859 . . . . 1.5600000000000001 108.987 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -56.99 -42.14 79.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.694 . . . . 1.4299999999999999 109.583 179.584 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -22.37 65.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.66000000000000003 109.758 -179.687 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 1.1799999999999999 109.474 179.882 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.307 0.575 . . . . 1.6100000000000001 109.518 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -93.81 154.28 17.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.56999999999999995 109.592 179.768 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.12 137.11 32.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.348 -0.845 . . . . 0.53000000000000003 109.002 179.391 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -94.77 164.66 12.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -0.83 . . . . 0.38 109.3 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -150.12 131.91 15.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.217 -0.927 . . . . 0.35999999999999999 109.589 -179.715 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.45 127.14 33.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 1.3600000000000001 109.082 179.721 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.82 115.49 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.642 -0.661 . . . . 0.48999999999999999 109.564 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -75.56 150.92 37.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.43 -0.794 . . . . 2.1000000000000001 109.893 179.819 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.21 137.73 4.16 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.364 -1.094 . . . . 0.44 110.364 179.261 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.13 -44.67 12.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.527 -0.984 . . . . 2.7200000000000002 109.258 179.561 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.24 -45.99 86.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 2.21 109.101 179.741 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.53 -41.6 98.98 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.359 -0.838 . . . . 2.79 109.4 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.08 -55.85 23.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 0.45000000000000001 109.289 179.929 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.41 -36.01 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 1.6799999999999999 109.613 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.51 -51.93 63.41 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.322 -0.861 . . . . 0.42999999999999999 110.001 -179.429 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.65 -41.61 95.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.006 . . . . 0.28000000000000003 108.977 -179.904 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.84 -43.05 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 2.52 109.24 179.681 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 9.9 tp10 -60.0 -52.18 66.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 1.75 109.576 179.887 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.17 -39.54 86.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.31 108.887 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.08 -55.88 29.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.404 -0.81 . . . . 1.21 109.43 179.455 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.68 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 1.6899999999999999 109.991 -179.809 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.53 -52.79 63.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 0.27000000000000002 110.037 -179.539 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.59 -43.8 98.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.29999999999999999 109.498 -179.92 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -33.54 70.35 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.595 -179.997 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' A' ' 350' ' ' LEU . 2.6 tt -65.33 -54.28 31.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.27 -0.893 . . . . 0.40000000000000002 109.431 -179.857 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.47 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 31.5 ttmt -60.97 -38.78 87.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.329 -0.857 . . . . 1.5900000000000001 108.994 179.812 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.99 -41.96 79.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.461 -0.775 . . . . 1.4299999999999999 109.568 179.655 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.845 . . . . 0.65000000000000002 109.744 -179.712 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.653 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -93.73 154.26 17.88 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.235 -0.915 . . . . 0.64000000000000001 109.597 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -141.17 137.14 32.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.341 -0.849 . . . . 0.48999999999999999 109.013 179.352 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -94.77 164.67 12.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.809 . . . . 0.46999999999999997 109.297 -179.893 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.08 131.91 15.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 0.41999999999999998 109.627 -179.775 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -84.45 127.2 33.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 1.8100000000000001 109.068 179.702 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.93 115.39 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.581 -0.699 . . . . 0.41999999999999998 109.564 -179.631 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -75.4 151.02 38.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.529 -0.732 . . . . 2.3500000000000001 109.953 179.798 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 137.58 4.05 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.436 -1.066 . . . . 0.40999999999999998 110.436 179.307 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -85.05 -44.68 12.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.357 -1.084 . . . . 2.5899999999999999 109.262 179.508 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.2 -46.12 86.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.06 -1.025 . . . . 2.54 109.084 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.52 -41.49 98.89 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.3900000000000001 109.443 179.875 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.07 -55.81 23.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.487 -0.758 . . . . 0.46999999999999997 109.348 179.805 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.51 -36.01 54.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.594 -179.873 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.36 -52.0 63.59 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.341 -0.85 . . . . 0.60999999999999999 110.065 -179.508 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.6 -41.61 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.173 -0.954 . . . . 0.33000000000000002 109.083 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.71 -43.22 62.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.893 . . . . 3.2799999999999998 109.256 179.627 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.496 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 9.9 tp10 -59.89 -52.15 66.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 1.78 109.607 179.86 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.2 -39.56 86.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.166 -0.959 . . . . 0.38 108.869 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.14 -55.79 30.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.434 -0.791 . . . . 1.2 109.423 179.484 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.71 -32.69 74.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 2.1200000000000001 109.991 -179.835 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.54 -52.84 63.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.26000000000000001 110.006 -179.578 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.61 -43.81 98.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.40000000000000002 109.491 -179.856 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.76 -33.52 70.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 2.0899999999999999 109.549 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' D' ' 350' ' ' LEU . 2.6 tt -65.36 -54.25 31.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 0.75 109.383 -179.808 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.447 ' HZ1' ' HB2' ' D' ' 346' ' ' GLU . 31.7 ttmt -61.05 -38.67 87.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.389 -0.819 . . . . 2.1899999999999999 108.994 179.888 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.06 -41.91 79.59 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.554 179.656 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.71999999999999997 109.632 -179.71 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.22 0.533 . . . . 1.6699999999999999 109.619 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.86 154.39 17.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.60999999999999999 109.492 179.812 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.25 137.07 32.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.325 -0.859 . . . . 0.56000000000000005 109.074 179.365 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.8 164.74 12.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.412 -0.805 . . . . 0.42999999999999999 109.26 -179.93 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -150.21 131.84 14.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.34999999999999998 109.587 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.4 127.32 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 109.125 179.652 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.0 115.52 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.558 -0.714 . . . . 0.47999999999999998 109.535 -179.612 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.45 151.02 38.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.486 -0.758 . . . . 2.0800000000000001 109.921 179.755 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.61 4.04 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.406 -1.077 . . . . 0.40000000000000002 110.406 179.253 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.11 -44.54 12.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -1.019 . . . . 2.6400000000000001 109.265 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.39 -46.0 87.22 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -0.933 . . . . 2.2200000000000002 109.067 179.711 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.45 -41.65 98.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.505 -0.747 . . . . 2.7400000000000002 109.417 179.774 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.03 -55.84 23.57 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.324 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -52.48 -36.01 54.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.6899999999999999 109.518 -179.863 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.44 -51.97 63.44 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.285 -0.884 . . . . 0.42999999999999999 110.031 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.27000000000000002 109.051 -179.912 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.74 -43.15 62.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 2.4500000000000002 109.247 179.602 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' C' ' 351' ' ' LYS . 9.9 tp10 -60.09 -52.15 66.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.296 -0.878 . . . . 1.75 109.516 179.931 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.05 -39.68 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 0.31 108.864 179.873 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -59.11 -55.84 29.87 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.43 -0.794 . . . . 1.22 109.422 179.566 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.447 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 97.5 mt-10 -63.76 -32.5 74.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.73 110.072 -179.851 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.69 -52.71 64.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.28000000000000003 109.962 -179.536 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.71 -43.73 98.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -0.921 . . . . 0.31 109.41 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.77 -33.55 70.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.531 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.4 -54.28 31.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 0.42999999999999999 109.418 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.496 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 31.4 ttmt -60.95 -38.77 87.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.335 -0.853 . . . . 1.5700000000000001 108.905 179.838 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.97 -42.04 79.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.603 179.641 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.45 65.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.64000000000000001 109.681 -179.637 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 1.21 109.397 179.937 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.414 -0.587 . . . . 1.7 109.414 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -94.87 149.22 21.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.228 -0.92 . . . . 0.60999999999999999 110.126 -179.669 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.58 135.13 29.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.378 -0.826 . . . . 0.57999999999999996 108.852 178.918 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.7 p -96.75 162.79 13.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.299 -0.876 . . . . 0.41999999999999998 109.369 -179.87 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -149.47 131.06 14.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.153 -0.967 . . . . 0.35999999999999999 109.736 -179.644 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.81 126.42 33.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 1.3700000000000001 109.023 179.63 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.2 mt -124.08 114.62 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 121.611 -0.681 . . . . 0.46999999999999997 109.568 -179.626 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.05 154.92 35.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.852 . . . . 2.1000000000000001 109.737 179.717 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.93 136.42 2.23 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.317 -1.113 . . . . 0.41999999999999998 110.317 179.221 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.49 -42.99 16.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -1.09 . . . . 2.6800000000000002 109.24 179.529 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.64 -47.43 84.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 2.2200000000000002 109.119 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.76 -42.75 98.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.352 -0.842 . . . . 2.77 109.217 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.93 -56.13 23.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.534 -0.729 . . . . 0.42999999999999999 109.473 179.904 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.79 -37.92 53.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 1.6599999999999999 109.782 -179.846 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.92 -51.39 67.12 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.886 . . . . 0.44 109.953 -179.545 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.28999999999999998 108.831 -179.961 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.16 -43.65 61.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.359 -0.838 . . . . 2.4399999999999999 109.282 179.523 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.73 -51.09 71.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 1.74 109.777 -179.913 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.32 -38.11 85.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.29999999999999999 108.864 179.726 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.12 50.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.439 -0.788 . . . . 1.22 109.299 179.611 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -62.97 -34.11 76.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.72 109.605 179.993 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -52.74 64.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.27000000000000002 110.013 -179.562 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.61 -45.51 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 0.28999999999999998 109.424 -179.821 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.18 73.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 1.9099999999999999 109.216 179.805 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.74 -47.68 77.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.431 -0.793 . . . . 0.40999999999999998 109.654 -179.893 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.8 -40.22 96.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 1.5600000000000001 109.035 179.666 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.09 -37.46 69.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.502 -0.749 . . . . 1.4299999999999999 109.23 179.656 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.87 82.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.343 -0.848 . . . . 0.66000000000000003 109.534 179.886 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.519 -179.864 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.431 -0.581 . . . . 1.6100000000000001 109.431 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.8 149.21 21.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.241 -0.912 . . . . 0.56999999999999995 110.207 -179.639 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.6 135.2 29.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.53000000000000003 108.826 178.912 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -96.79 162.88 13.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.294 -0.879 . . . . 0.38 109.367 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.48 130.96 14.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.177 -0.952 . . . . 0.35999999999999999 109.808 -179.657 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.73 126.4 33.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.032 179.629 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.97 114.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.555 -0.716 . . . . 0.48999999999999999 109.637 -179.73 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -75.99 154.98 35.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 2.1000000000000001 109.763 179.758 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.9 136.45 2.23 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.348 -1.101 . . . . 0.44 110.348 179.278 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -83.44 -43.1 16.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -1.064 . . . . 2.7200000000000002 109.233 179.437 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.65 -47.35 84.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.184 -0.948 . . . . 2.21 109.135 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.66 98.15 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.38 -0.825 . . . . 2.79 109.216 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.97 -56.15 22.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.464 -0.773 . . . . 0.45000000000000001 109.403 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.81 -37.94 53.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.32 -0.862 . . . . 1.6799999999999999 109.787 -179.79 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.82 -51.49 66.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.239 -0.913 . . . . 0.42999999999999999 109.963 -179.569 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.09 -43.43 98.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.149 -0.969 . . . . 0.28000000000000003 108.891 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.25 -43.55 61.54 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.361 -0.837 . . . . 2.52 109.295 179.516 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.07 71.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 1.75 109.71 -179.852 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.29 -38.16 85.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.31 108.852 179.768 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.61 -54.04 51.58 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 1.21 109.343 179.6 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.02 -34.06 76.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.672 179.901 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.53 -52.79 64.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.895 . . . . 0.27000000000000002 109.978 -179.593 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.7 mt -61.58 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.139 -0.976 . . . . 0.29999999999999999 109.455 -179.803 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.3 -35.27 73.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 1.9299999999999999 109.141 179.859 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.66 77.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.40000000000000002 109.614 -179.829 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 1.5900000000000001 108.962 179.694 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.03 -37.49 69.27 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.185 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.375 -0.828 . . . . 0.65000000000000002 109.539 179.948 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.373 -0.602 . . . . 2.1099999999999999 109.373 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -94.88 149.23 21.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.206 -0.934 . . . . 0.64000000000000001 110.158 -179.581 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.58 135.3 29.93 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.767 -0.827 . . . . 0.48999999999999999 108.767 178.989 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.4 p -96.84 162.93 13.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.374 -0.829 . . . . 0.46999999999999997 109.387 -179.849 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.61 131.04 14.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.191 -0.943 . . . . 0.41999999999999998 109.685 -179.623 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.85 126.48 33.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 1.8100000000000001 108.976 179.623 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.3 mt -124.03 114.66 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.581 -0.7 . . . . 0.41999999999999998 109.582 -179.645 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.9 35.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.397 -0.814 . . . . 2.3500000000000001 109.765 179.692 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.98 136.54 2.28 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.334 -1.106 . . . . 0.40999999999999998 110.334 179.269 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.59 -43.07 16.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -1.095 . . . . 2.5899999999999999 109.184 179.511 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.6 -47.55 83.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 2.54 109.083 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.64 -42.84 97.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.339 -0.85 . . . . 3.3900000000000001 109.18 179.807 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.78 -56.2 21.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.47 -0.769 . . . . 0.46999999999999997 109.481 179.917 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.91 -37.81 53.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.339 -0.85 . . . . 1.6599999999999999 109.795 -179.793 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.86 -51.48 66.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.264 -0.897 . . . . 0.60999999999999999 109.928 -179.607 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.51 98.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.33000000000000002 108.82 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.18 -43.66 61.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.236 -0.915 . . . . 3.2799999999999998 109.274 179.551 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.77 -51.09 71.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.338 -0.851 . . . . 1.78 109.739 -179.878 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.3 -38.16 85.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 0.38 108.859 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.06 51.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.336 -0.852 . . . . 1.2 109.353 179.582 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.05 -33.95 76.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.658 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.66 -52.68 64.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 0.26000000000000001 110.015 -179.622 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.61 -45.47 93.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.885 . . . . 0.40000000000000002 109.479 -179.859 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.23 73.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 2.0899999999999999 109.186 179.75 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.428 HD21 ' NE2' ' D' ' 354' ' ' GLN . 6.7 tp -64.69 -47.79 77.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.405 -0.809 . . . . 0.75 109.639 -179.875 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.68 -40.31 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.277 -0.889 . . . . 2.1899999999999999 109.046 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.1 -37.4 69.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.623 -0.673 . . . . 1.3400000000000001 109.219 179.716 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.375 -0.828 . . . . 0.71999999999999997 109.573 179.841 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.374 -0.602 . . . . 1.6699999999999999 109.374 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.84 149.32 21.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.168 -0.957 . . . . 0.60999999999999999 110.094 -179.594 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.67 135.33 29.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.853 . . . . 0.56000000000000005 108.746 178.933 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.1 p -96.86 162.79 13.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.367 -0.833 . . . . 0.42999999999999999 109.352 -179.862 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.49 131.09 14.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.34999999999999998 109.78 -179.721 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.83 126.46 33.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 1.3700000000000001 108.918 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.4 mt -124.04 114.64 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.522 -0.736 . . . . 0.47999999999999998 109.655 -179.714 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.87 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.308 -0.87 . . . . 2.0800000000000001 109.788 179.773 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.87 136.53 2.23 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.353 -1.099 . . . . 0.40000000000000002 110.353 179.292 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.55 -42.99 16.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -1.059 . . . . 2.6400000000000001 109.239 179.55 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.59 -47.39 84.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.191 -0.943 . . . . 2.2200000000000002 109.186 179.752 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.74 98.28 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.389 -0.819 . . . . 2.7400000000000002 109.163 179.839 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.91 -56.09 23.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.58 -0.7 . . . . 0.42999999999999999 109.481 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.93 -37.88 54.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.764 -179.776 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.84 -51.38 67.23 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.167 -0.958 . . . . 0.42999999999999999 109.999 -179.591 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.15 -43.44 98.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.27000000000000002 108.856 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.21 -43.53 61.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 109.332 179.515 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.04 71.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.335 -0.853 . . . . 1.75 109.746 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.35 -38.13 85.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.31 108.847 179.781 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.57 -54.1 50.91 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 1.22 109.352 179.575 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.389 -0.82 . . . . 1.73 109.621 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -52.77 64.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.314 -0.867 . . . . 0.28000000000000003 109.975 -179.582 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.56 -45.48 93.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 0.31 109.506 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.18 -35.33 73.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 1.9099999999999999 109.182 179.753 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.59 77.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 0.42999999999999999 109.677 -179.848 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.71 -40.33 96.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.5700000000000001 109.031 179.598 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.07 -37.48 69.38 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.586 -0.696 . . . . 1.4399999999999999 109.232 179.722 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 0.64000000000000001 109.546 179.929 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.428 ' NE2' HD21 ' C' ' 350' ' ' LEU . 60.5 mt-30 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.913 . . . . 1.21 109.545 -179.897 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.539 -0.541 . . . . 1.7 109.539 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.65 156.16 16.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.307 -0.871 . . . . 0.60999999999999999 110.016 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.83 -169.15 2.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.613 -0.679 . . . . 0.57999999999999996 109.393 -179.907 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -151.5 148.55 28.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.26 -0.9 . . . . 0.41999999999999998 109.012 -179.859 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -142.0 135.63 29.48 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.352 -0.843 . . . . 0.35999999999999999 109.677 -178.956 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.74 131.48 34.32 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.468 -0.938 . . . . 1.3700000000000001 108.468 178.971 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.62 116.28 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.423 -0.798 . . . . 0.46999999999999997 109.367 -179.545 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' A' ' 333' ' ' ARG . 29.6 ttt-85 -75.39 149.59 38.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.5 -0.75 . . . . 2.1000000000000001 109.899 -179.93 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.85 134.28 2.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.138 -1.185 . . . . 0.41999999999999998 110.138 179.46 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -81.39 -45.71 15.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.085 . . . . 2.6800000000000002 109.249 179.549 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.75 -41.18 85.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 108.926 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -63.53 -40.34 96.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.381 -0.824 . . . . 2.77 109.158 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -55.3 -54.9 37.68 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.505 -0.747 . . . . 0.42999999999999999 109.698 -179.988 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.11 -37.07 52.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.75 -179.91 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.55 -51.3 67.9 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.202 -0.936 . . . . 0.44 110.161 -179.496 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -44.9 96.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.189 -0.944 . . . . 0.28999999999999998 109.085 -179.898 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.31 -39.17 56.34 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.272 -0.892 . . . . 2.4399999999999999 109.329 179.768 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.03 -53.96 50.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.74 109.854 -179.836 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.37 -39.5 87.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.127 -0.983 . . . . 0.29999999999999999 108.688 179.703 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.99 -55.23 37.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.538 -0.726 . . . . 1.22 109.385 179.629 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.64 -34.33 77.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 1.72 109.652 -179.94 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.79 -50.5 73.71 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.307 -0.871 . . . . 0.27000000000000002 109.674 -179.79 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.36 -46.18 89.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.223 -0.923 . . . . 0.28999999999999998 109.314 179.854 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.97 -32.43 69.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.492 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.12 -52.79 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.332 -0.855 . . . . 0.40999999999999998 109.215 179.943 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 32.1 ttmt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.377 -0.827 . . . . 1.5600000000000001 109.122 179.873 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.45 68.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.583 -0.698 . . . . 1.4299999999999999 109.546 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -36.79 82.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.88 . . . . 0.66000000000000003 109.803 -179.638 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.24 -0.912 . . . . 1.1799999999999999 109.544 -179.851 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.472 -0.566 . . . . 1.6100000000000001 109.472 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -94.65 156.22 16.51 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.56999999999999995 109.935 -179.861 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.83 -169.12 2.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.495 -0.753 . . . . 0.53000000000000003 109.42 -179.986 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.0 p -151.54 148.54 28.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.142 -0.974 . . . . 0.38 109.001 -179.835 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.03 135.65 29.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -0.865 . . . . 0.35999999999999999 109.71 -178.965 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.76 131.47 34.31 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.438 -0.949 . . . . 1.3600000000000001 108.438 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.54 116.19 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.502 -0.749 . . . . 0.48999999999999999 109.492 -179.62 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' B' ' 333' ' ' ARG . 29.6 ttt-85 -75.3 149.55 38.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.501 -0.749 . . . . 2.1000000000000001 109.9 -179.924 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.28 2.97 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.11 -1.196 . . . . 0.44 110.11 179.422 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -81.33 -45.87 15.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -1.058 . . . . 2.7200000000000002 109.158 179.613 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.77 -41.07 85.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.102 -0.999 . . . . 2.21 108.947 179.677 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -63.65 -40.25 96.4 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.33 -0.856 . . . . 2.79 109.125 179.667 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -55.41 -54.87 38.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.593 -0.692 . . . . 0.45000000000000001 109.598 -179.885 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.09 -37.11 52.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.723 -179.884 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.46 -51.34 67.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.902 . . . . 0.42999999999999999 110.2 -179.534 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.32 -44.8 96.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.28000000000000003 109.116 -179.923 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.36 -39.2 56.61 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.228 -0.92 . . . . 2.52 109.236 179.765 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.1 -54.03 49.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 1.75 109.783 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.28 -39.53 87.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.065 -1.022 . . . . 0.31 108.651 179.737 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.97 -55.28 37.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 1.21 109.398 179.661 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.43 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 43.9 mt-10 -63.63 -34.23 77.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.584 -179.969 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -50.55 73.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.268 -0.895 . . . . 0.27000000000000002 109.599 -179.735 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.28 -46.26 89.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.29999999999999999 109.327 179.868 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.75 -32.66 69.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 1.9299999999999999 109.449 -179.957 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 350' ' ' LEU . 2.7 tt -65.08 -52.8 53.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.40000000000000002 109.169 -179.945 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.18 89.73 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.328 -0.858 . . . . 1.5900000000000001 109.15 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.44 68.9 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.534 -0.729 . . . . 1.4299999999999999 109.481 179.88 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.65000000000000002 109.763 -179.618 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.524 -0.547 . . . . 2.1099999999999999 109.524 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.59 156.22 16.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.138 -0.976 . . . . 0.64000000000000001 109.947 -179.869 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.88 -169.07 2.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.565 -0.71 . . . . 0.48999999999999999 109.399 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.5 p -151.61 148.5 28.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 0.46999999999999997 108.936 -179.785 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.6 tp -142.0 135.69 29.54 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.344 -0.847 . . . . 0.41999999999999998 109.705 -179.041 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.81 131.48 34.3 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.52 116.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.451 -0.781 . . . . 0.41999999999999998 109.402 -179.587 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' C' ' 333' ' ' ARG . 29.7 ttt-85 -75.36 149.5 38.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.638 -0.664 . . . . 2.3500000000000001 109.897 -179.984 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.23 2.96 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.15 -1.18 . . . . 0.40999999999999998 110.15 179.4 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -81.21 -45.89 15.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -1.096 . . . . 2.5899999999999999 109.242 179.588 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.72 -41.07 85.54 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.135 -0.978 . . . . 2.54 108.959 179.672 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.69 -40.26 96.37 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 3.3900000000000001 109.113 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -55.25 -55.01 36.27 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.541 -0.724 . . . . 0.46999999999999997 109.591 -179.934 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.08 -37.06 52.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.783 -179.855 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.5 -51.42 67.49 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.247 -0.908 . . . . 0.60999999999999999 110.118 -179.507 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.27 -44.89 96.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.179 -0.951 . . . . 0.33000000000000002 109.053 -179.821 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.27 -39.26 56.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 3.2799999999999998 109.298 179.705 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.06 -54.01 50.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.78 109.849 -179.795 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 344' ' ' LEU . 20.2 mt -60.27 -39.54 87.21 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.193 -0.942 . . . . 0.38 108.704 179.67 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.95 -55.24 37.66 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.542 -0.723 . . . . 1.2 109.461 179.568 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.445 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 43.8 mt-10 -63.74 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 2.1200000000000001 109.611 -179.916 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.88 -50.6 73.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.26000000000000001 109.635 -179.828 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.34 -46.18 89.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.40000000000000002 109.354 179.919 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.85 -32.47 69.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.325 -0.86 . . . . 2.0899999999999999 109.47 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -65.17 -52.77 52.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.75 109.193 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.4 -46.18 89.74 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.318 -0.863 . . . . 2.1899999999999999 109.173 179.855 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.57 -32.33 68.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.612 -0.68 . . . . 1.3400000000000001 109.572 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.71999999999999997 109.751 -179.643 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.468 -0.567 . . . . 1.6699999999999999 109.468 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -94.65 156.31 16.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.263 -0.898 . . . . 0.60999999999999999 109.874 -179.807 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.89 -169.16 2.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.51 -0.744 . . . . 0.56000000000000005 109.402 -179.932 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 46.6 p -151.52 148.65 28.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.139 -0.975 . . . . 0.42999999999999999 109.001 -179.909 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.11 135.52 29.17 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.369 -0.832 . . . . 0.34999999999999998 109.673 -178.942 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.68 131.46 34.33 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.5 -0.926 . . . . 1.3700000000000001 108.5 178.954 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.52 116.26 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.486 -0.758 . . . . 0.47999999999999998 109.381 -179.53 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 29.7 ttt-85 -75.24 149.45 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.618 -0.676 . . . . 2.0800000000000001 109.877 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.82 134.23 2.94 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.144 -1.182 . . . . 0.40000000000000002 110.144 179.365 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -81.23 -45.76 15.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.43 -1.041 . . . . 2.6400000000000001 109.247 179.612 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.83 -41.08 86.03 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 2.2200000000000002 108.899 179.695 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.6 -40.26 96.48 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.322 -0.861 . . . . 2.7400000000000002 109.16 179.657 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.37 -54.85 38.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.52 -0.737 . . . . 0.42999999999999999 109.637 -179.97 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.23 -37.07 54.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.712 -179.816 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.44 -51.39 67.7 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 110.188 -179.553 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.187 -0.946 . . . . 0.27000000000000002 109.149 -179.961 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.24 -39.25 56.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.168 -0.958 . . . . 2.4500000000000002 109.271 179.688 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.13 -53.94 50.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 109.808 -179.724 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.34 -39.53 87.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.157 -0.964 . . . . 0.31 108.646 179.777 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.495 -0.753 . . . . 1.22 109.399 179.626 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.76 -34.16 77.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.41 -0.806 . . . . 1.73 109.586 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.96 -50.52 73.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 0.28000000000000003 109.598 -179.769 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.33 -46.21 89.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.289 -0.882 . . . . 0.31 109.341 179.879 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.84 -32.5 69.48 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.473 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.02 -52.89 53.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.42999999999999999 109.234 179.913 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.445 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 32.1 ttmt -62.41 -46.21 89.62 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.355 -0.841 . . . . 1.5700000000000001 109.097 179.903 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.52 -32.41 68.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.55 -0.719 . . . . 1.4399999999999999 109.539 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.83 82.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.3 -0.875 . . . . 0.64000000000000001 109.772 -179.57 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 1.21 109.612 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.461 -0.57 . . . . 7.3300000000000001 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 59.24 37.29 23.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 7.21 109.436 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' A' ' 323' ' ' LEU . 28.8 mmtp 50.85 73.55 0.96 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 6.4699999999999998 109.368 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.4 Cg_endo -64.94 12.32 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.632 1.555 . . . . 4.5300000000000002 110.279 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 321' ' ' LYS . 13.3 mt -80.35 36.16 0.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -0.947 . . . . 4.3499999999999996 109.212 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 324' ' ' ASP . 1.4 m-20 -77.8 -117.58 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.737 -0.602 . . . . 2.48 109.972 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 148.98 49.25 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.981 -1.248 . . . . 0.97999999999999998 109.981 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.08 140.88 57.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.494 -1.003 . . . . 1.7 109.669 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 44.3 m-85 -94.26 157.02 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.252 -0.905 . . . . 0.60999999999999999 109.368 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -138.8 -170.53 2.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 109.404 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -151.45 146.45 25.94 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.704 -0.85 . . . . 0.41999999999999998 108.704 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.41 135.68 32.3 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.376 -0.827 . . . . 0.35999999999999999 109.699 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.47 34.58 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.495 -0.928 . . . . 1.3700000000000001 108.495 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.2 113.86 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.419 -0.801 . . . . 0.46999999999999997 109.205 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -73.36 151.46 41.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.655 -0.653 . . . . 2.1000000000000001 109.792 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 137.37 2.89 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.067 -1.213 . . . . 0.41999999999999998 110.067 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -81.88 -45.6 15.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.368 -1.078 . . . . 2.6800000000000002 109.353 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.37 -43.6 83.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.162 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.12 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.346 -0.846 . . . . 2.77 109.297 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.68 -56.5 18.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.613 -0.679 . . . . 0.42999999999999999 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.97 -39.54 59.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.305 -0.872 . . . . 1.6599999999999999 109.724 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.2 -51.94 64.29 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.301 -0.874 . . . . 0.44 110.349 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.93 -46.02 92.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.28999999999999998 108.944 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.39 -42.29 61.31 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.3 -0.875 . . . . 2.4399999999999999 109.275 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.4 -44.06 96.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 1.74 109.728 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.19 -46.46 90.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.942 . . . . 0.29999999999999999 109.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -58.19 -49.35 77.37 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.287 -0.883 . . . . 1.22 109.252 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.8 -38.74 91.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 1.72 109.578 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.61 56.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.27000000000000002 109.759 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.72 -43.23 98.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.28999999999999998 109.285 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.47 -35.46 74.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.902 . . . . 1.9099999999999999 109.147 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.83 -46.67 84.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.876 . . . . 0.40999999999999998 108.96 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.15 -50.58 67.65 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.738 -0.838 . . . . 1.5600000000000001 108.738 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -37.41 75.32 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.623 -0.673 . . . . 1.4299999999999999 109.197 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.68 64.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.36 -0.838 . . . . 0.66000000000000003 109.685 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.93 -27.48 33.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 1.1799999999999999 109.407 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.37 55.5 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.292 -0.88 . . . . 1.23 109.144 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -7.22 82.9 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.567 -1.413 . . . . 1.54 109.567 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.46 137.15 33.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -1.179 . . . . 4.1799999999999997 109.149 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -49.82 137.88 18.41 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.181 -0.949 . . . . 5.71 109.042 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.94 154.68 42.98 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 N-CA-C 109.612 -0.957 . . . . 5.6100000000000003 109.612 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.524 -1.431 . . . . 7.2400000000000002 109.524 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.512 -0.551 . . . . 7.3399999999999999 109.512 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 59.27 37.32 23.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 7.1699999999999999 109.396 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' B' ' 323' ' ' LEU . 28.8 mmtp 50.87 73.53 0.96 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 6.4400000000000004 109.38 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' B' ' 324' ' ' ASP . 2.4 Cg_endo -64.93 12.37 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.599 1.533 . . . . 4.54 110.324 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' B' ' 321' ' ' LYS . 13.4 mt -80.43 36.18 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.128 -0.982 . . . . 4.3200000000000003 109.17 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 1.4 m-20 -77.85 -117.71 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.708 -0.62 . . . . 2.4700000000000002 109.911 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.39 148.99 49.4 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.056 -1.218 . . . . 0.94999999999999996 110.056 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.07 140.82 57.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.466 -1.02 . . . . 1.6100000000000001 109.646 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 44.5 m-85 -94.19 157.2 16.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.922 . . . . 0.56999999999999995 109.418 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -138.97 -170.68 2.92 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.355 -0.841 . . . . 0.53000000000000003 109.402 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.43 146.47 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.759 -0.83 . . . . 0.38 108.759 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -140.39 135.7 32.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.351 -0.843 . . . . 0.35999999999999999 109.805 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.46 130.36 34.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.523 -0.917 . . . . 1.3600000000000001 108.523 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.09 113.73 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.482 -0.761 . . . . 0.48999999999999999 109.283 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.454 ' NH2' ' CB ' ' D' ' 324' ' ' ASP . 50.4 ttt180 -73.22 151.39 41.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.634 -0.666 . . . . 2.1000000000000001 109.864 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.09 137.32 2.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.039 -1.224 . . . . 0.44 110.039 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.94 -45.52 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.413 -1.051 . . . . 2.7200000000000002 109.237 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.59 83.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.231 -0.918 . . . . 2.21 109.162 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.24 -41.77 99.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.335 -0.853 . . . . 2.79 109.287 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.62 -56.49 18.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.531 -0.731 . . . . 0.45000000000000001 109.768 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.91 -39.58 59.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.855 . . . . 1.6799999999999999 109.685 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.22 -51.95 64.17 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.337 -0.852 . . . . 0.42999999999999999 110.317 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.97 -45.95 92.73 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.28000000000000003 108.948 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.34 -42.31 61.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 2.52 109.302 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.48 -44.02 96.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.235 -0.915 . . . . 1.75 109.657 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.21 -46.48 90.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.208 -0.932 . . . . 0.31 109.162 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -58.16 -49.4 77.14 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.36 -0.838 . . . . 1.21 109.321 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.78 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.581 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -53.51 57.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 0.27000000000000002 109.8 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.93 -43.01 99.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.29999999999999999 109.258 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.75 -35.28 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.315 -0.866 . . . . 1.9299999999999999 109.087 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.86 -46.7 83.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.425 -0.797 . . . . 0.40000000000000002 109.025 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.06 -50.61 67.69 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.5900000000000001 108.762 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -37.39 75.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 109.171 -0.678 . . . . 1.4299999999999999 109.171 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.75 64.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 0.65000000000000002 109.667 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.85 -27.56 33.49 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 1.1899999999999999 109.399 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.2 54.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.232 -0.917 . . . . 1.22 109.186 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -7.29 82.81 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.524 -1.43 . . . . 1.53 109.524 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.47 137.1 33.13 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -1.122 . . . . 4.21 109.088 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -49.73 137.85 17.9 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.155 -0.966 . . . . 5.6799999999999997 108.957 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.02 154.69 43.44 Favored 'Trans proline' 0 C--O 1.214 -0.719 0 N-CA-C 109.548 -0.982 . . . . 5.5700000000000003 109.548 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.971 -1.46 . . . . 7.2000000000000002 109.49 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.448 -0.575 . . . . 8.9600000000000009 109.448 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 71.0 tttt 59.23 37.42 23.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 8.1500000000000004 109.459 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' C' ' 323' ' ' LEU . 28.8 mmtp 50.75 73.61 0.95 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 7.1500000000000004 109.39 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' C' ' 324' ' ' ASP . 2.4 Cg_endo -64.92 12.28 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.101 0 C-N-CA 121.665 1.576 . . . . 4.3499999999999996 110.282 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' C' ' 321' ' ' LYS . 13.4 mt -80.44 36.25 0.36 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.114 -0.991 . . . . 4.6299999999999999 109.18 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 1.4 m-20 -77.86 -117.61 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.696 -0.628 . . . . 2.8500000000000001 109.95 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 148.98 49.21 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.954 -1.258 . . . . 1.1200000000000001 109.954 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.07 140.84 57.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.477 -1.014 . . . . 2.1099999999999999 109.662 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 45.2 m-85 -94.26 157.14 16.19 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.279 -0.888 . . . . 0.64000000000000001 109.379 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.88 -170.7 2.92 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.36 -0.837 . . . . 0.48999999999999999 109.39 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -151.46 146.4 25.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -0.879 . . . . 0.46999999999999997 108.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 61.2 tp -140.31 135.77 32.57 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.412 -0.805 . . . . 0.41999999999999998 109.792 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.52 130.46 34.57 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.534 -0.914 . . . . 1.8100000000000001 108.534 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.17 113.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.471 -0.768 . . . . 0.41999999999999998 109.229 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -73.29 151.38 41.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.723 -0.611 . . . . 2.3500000000000001 109.83 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.08 137.38 2.95 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.989 -1.244 . . . . 0.40999999999999998 109.989 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -81.98 -45.52 15.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.397 -1.061 . . . . 2.5899999999999999 109.235 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.42 -43.54 83.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.955 . . . . 2.54 109.156 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -63.28 -41.74 99.03 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.318 -0.864 . . . . 3.3900000000000001 109.304 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -54.69 -56.45 18.99 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.53 -0.731 . . . . 0.46999999999999997 109.742 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.99 -39.5 59.5 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.347 -0.846 . . . . 1.6599999999999999 109.758 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.25 -52.0 63.92 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.322 -0.861 . . . . 0.60999999999999999 110.297 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.85 -45.97 92.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.33000000000000002 109.02 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.38 -42.33 61.3 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 109.27 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.47 -43.99 96.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.307 -0.871 . . . . 1.78 109.74 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.13 -46.56 90.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.38 109.154 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -58.12 -49.41 77.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.286 -0.884 . . . . 1.2 109.282 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.73 -38.79 91.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 109.589 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.45 58.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.373 -0.83 . . . . 0.26000000000000001 109.771 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.83 -43.11 98.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.40000000000000002 109.27 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.65 -35.37 74.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.087 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.84 -46.74 83.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.437 -0.789 . . . . 0.75 108.943 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.05 -50.67 67.5 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.764 -0.828 . . . . 2.1899999999999999 108.764 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.34 75.05 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.225 -0.657 . . . . 1.3400000000000001 109.225 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.24 -19.66 64.75 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.818 . . . . 0.71999999999999997 109.679 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.93 -27.5 33.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 1.8 109.403 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.28 -8.3 55.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.26 -0.9 . . . . 1.3899999999999999 109.157 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 -7.28 82.91 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.493 -1.443 . . . . 1.6599999999999999 109.493 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -85.41 137.09 33.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.187 -1.184 . . . . 4.4500000000000002 109.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -49.8 137.87 18.27 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.143 -0.973 . . . . 6.1900000000000004 108.94 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.08 154.68 43.83 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 N-CA-C 109.514 -0.995 . . . . 5.5800000000000001 109.514 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.038 -1.424 . . . . 6.9000000000000004 109.547 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.498 -0.556 . . . . 7.3600000000000003 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 59.23 37.39 23.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 7.1500000000000004 109.418 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' D' ' 323' ' ' LEU . 28.8 mmtp 50.76 73.6 0.95 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.117 -0.989 . . . . 6.5 109.382 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' D' ' 324' ' ' ASP . 2.4 Cg_endo -64.9 12.31 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 C-N-CA 121.637 1.558 . . . . 4.5 110.369 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' D' ' 321' ' ' LYS . 13.4 mt -80.41 36.22 0.36 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.073 -1.017 . . . . 4.3200000000000003 109.141 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.454 ' CB ' ' NH2' ' B' ' 333' ' ' ARG . 1.4 m-20 -77.89 -117.65 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.706 -0.621 . . . . 2.46 109.874 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 148.98 49.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 110.014 -1.234 . . . . 0.96999999999999997 110.014 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.1 140.86 57.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.446 -1.032 . . . . 1.6699999999999999 109.669 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 44.5 m-85 -94.22 157.07 16.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.60999999999999999 109.37 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.84 -170.59 2.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.288 -0.882 . . . . 0.56000000000000005 109.418 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -151.46 146.5 25.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.319 -0.863 . . . . 0.42999999999999999 108.718 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.3 tp -140.4 135.67 32.32 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.446 -0.784 . . . . 0.34999999999999998 109.722 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -85.5 130.43 34.58 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.463 -0.939 . . . . 1.3700000000000001 108.463 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.17 113.85 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.682 0.753 . . . . 0.47999999999999998 109.183 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.416 ' NH2' ' CB ' ' B' ' 324' ' ' ASP . 50.6 ttt180 -73.32 151.43 41.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.689 -0.632 . . . . 2.0800000000000001 109.795 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.94 137.37 2.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.048 -1.221 . . . . 0.40000000000000002 110.048 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -82.04 -45.42 15.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -1.057 . . . . 2.6400000000000001 109.289 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.43 -43.6 83.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.106 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -63.23 -41.83 99.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.322 -0.861 . . . . 2.7400000000000002 109.287 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.66 -56.51 18.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.545 -0.722 . . . . 0.42999999999999999 109.72 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -51.9 -39.62 59.36 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.745 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.15 -52.0 64.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 110.301 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.9 -45.95 92.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.089 -1.007 . . . . 0.27000000000000002 108.993 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.46 -42.22 61.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.288 -0.882 . . . . 2.4500000000000002 109.306 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.41 -44.13 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.247 -0.908 . . . . 1.75 109.685 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.12 -46.5 90.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.239 -0.913 . . . . 0.31 109.182 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.299 -0.876 . . . . 1.22 109.281 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -62.75 -38.82 92.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 1.73 109.581 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -53.56 57.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.293 -0.879 . . . . 0.28000000000000003 109.806 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.83 -43.2 98.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.31 109.281 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -59.57 -35.33 74.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.291 -0.881 . . . . 1.9099999999999999 109.15 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.83 -46.71 83.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.38 -0.825 . . . . 0.42999999999999999 109.063 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -64.09 -50.63 67.58 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.746 -0.835 . . . . 1.5700000000000001 108.746 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -37.44 75.23 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.187 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -19.73 64.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.677 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.95 -27.46 33.26 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.177 -0.952 . . . . 1.21 109.433 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -8.31 55.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 1.22 109.238 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 -7.32 82.94 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.54 -1.424 . . . . 1.5 109.54 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -85.44 137.22 33.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 4.1799999999999997 109.137 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -49.87 137.89 18.74 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.147 -0.971 . . . . 5.6699999999999999 109.053 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.98 154.67 43.27 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 N-CA-C 109.587 -0.967 . . . . 5.6500000000000004 109.587 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.003 -1.443 . . . . 7.2699999999999996 109.538 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.457 -0.571 . . . . 7.3300000000000001 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 319' ' ' LYS . 63.8 tttt 59.2 111.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.291 -0.881 . . . . 7.21 109.615 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 51.25 69.9 2.29 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.272 -0.892 . . . . 6.4699999999999998 109.657 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.65 41.05 0.36 Allowed 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 121.885 1.724 . . . . 4.5300000000000002 110.34 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.3 mt -79.05 97.99 6.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.619 -1.301 . . . . 4.3499999999999996 109.62 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -83.47 156.21 22.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 2.48 109.686 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.82 164.9 51.12 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.644 -1.383 . . . . 0.97999999999999998 109.644 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.55 139.35 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -1.124 . . . . 1.7 109.714 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -95.03 155.47 16.72 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.258 -0.901 . . . . 0.60999999999999999 109.718 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.22 138.67 31.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.226 -0.921 . . . . 0.57999999999999996 109.1 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -96.36 161.71 13.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.304 -0.872 . . . . 0.41999999999999998 109.024 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.6 tp -149.31 135.29 18.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 0.35999999999999999 110.253 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.57 34.74 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.635 -0.876 . . . . 1.3700000000000001 108.635 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -124.33 118.06 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 CA-C-O 121.663 0.744 . . . . 0.46999999999999997 109.958 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.43 147.71 35.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.62 -0.675 . . . . 2.1000000000000001 109.801 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.49 137.64 5.43 Favored Glycine 0 N--CA 1.496 2.681 0 O-C-N 121.139 -0.976 . . . . 0.41999999999999998 110.755 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.43 -43.36 13.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.549 -0.971 . . . . 2.6800000000000002 109.252 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.27 -45.92 91.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.186 -0.946 . . . . 2.2200000000000002 109.547 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.507 HH11 ' HG3' ' A' ' 337' ' ' ARG . 19.3 ttm-85 -62.94 -40.71 98.47 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.249 -0.907 . . . . 2.77 109.667 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -52.64 52.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.406 -0.808 . . . . 0.42999999999999999 109.616 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.25 -38.52 63.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 1.6599999999999999 110.037 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 60.0 ttp -64.61 -50.16 68.23 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.221 -0.925 . . . . 0.44 110.621 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -59.71 -44.71 93.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.082 -1.011 . . . . 0.28999999999999998 109.016 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.84 -45.96 59.9 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.393 -0.817 . . . . 2.4399999999999999 109.54 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -61.06 -48.56 81.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 1.74 110.051 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.73 -38.8 86.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.29999999999999999 109.164 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -59.12 -53.11 62.03 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.385 -0.822 . . . . 1.22 109.827 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.98 -33.7 76.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.72 110.105 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.2 -55.71 31.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.937 . . . . 0.27000000000000002 110.318 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.23 -41.84 97.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.955 . . . . 0.28999999999999998 109.53 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.46 75.03 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.1 -1.0 . . . . 1.9099999999999999 109.011 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.48 HD11 HE22 ' B' ' 354' ' ' GLN . 26.1 tp -65.95 -52.03 53.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.461 -0.775 . . . . 0.40999999999999998 109.549 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 355' ' ' ALA . 15.2 ttmm -62.34 -38.77 90.76 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.699 0.762 . . . . 1.5600000000000001 109.059 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.32 -39.08 69.54 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.62 -0.675 . . . . 1.4299999999999999 109.504 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.76 47.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.66000000000000003 109.581 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.427 HE22 HD11 ' B' ' 350' ' ' LEU . 22.3 mt-30 -81.63 1.49 33.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.845 . . . . 1.1799999999999999 109.849 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.65 -80.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 1.23 109.376 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.96 82.01 0.01 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.659 -1.376 . . . . 1.54 109.659 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 355' ' ' ALA . 79.5 tttt -86.55 -86.97 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.267 -1.137 . . . . 4.1799999999999997 109.488 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.98 153.79 2.88 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 5.71 109.012 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.57 150.51 34.86 Favored 'Trans proline' 0 C--N 1.322 -0.841 0 C-N-CA 121.116 1.211 . . . . 5.6100000000000003 109.816 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.985 -1.453 . . . . 7.2400000000000002 109.598 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.465 -0.569 . . . . 7.3399999999999999 109.465 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 319' ' ' LYS . 63.9 tttt 59.16 112.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.361 -0.837 . . . . 7.1699999999999999 109.575 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 51.34 69.82 2.32 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.897 . . . . 6.4400000000000004 109.677 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.63 40.98 0.36 Allowed 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 121.839 1.693 . . . . 4.54 110.379 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.93 98.03 6.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.501 -1.374 . . . . 4.3200000000000003 109.628 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -83.47 156.39 22.9 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.457 -0.777 . . . . 2.4700000000000002 109.645 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.09 164.94 51.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.581 -1.408 . . . . 0.94999999999999996 109.581 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.51 139.23 57.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.298 -1.119 . . . . 1.6100000000000001 109.749 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -95.01 155.43 16.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.29 -0.881 . . . . 0.56999999999999995 109.649 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -142.14 138.69 31.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.303 -0.873 . . . . 0.53000000000000003 109.087 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -96.31 161.82 13.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.38 109.061 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.8 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 0.35999999999999999 110.18 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.28 128.52 34.72 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.652 -0.87 . . . . 1.3600000000000001 108.652 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.26 118.13 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-O 121.643 0.735 . . . . 0.48999999999999999 109.883 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -77.55 147.79 35.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.598 -0.689 . . . . 2.1000000000000001 109.76 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.54 137.69 5.47 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 110.691 -0.964 . . . . 0.44 110.691 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -85.44 -43.41 13.63 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.471 -1.017 . . . . 2.7200000000000002 109.263 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -60.25 -45.83 91.9 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.289 -0.882 . . . . 2.21 109.563 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.504 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.5 ttm-85 -63.06 -40.67 98.39 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.219 -0.926 . . . . 2.79 109.592 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.58 -52.5 54.88 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.455 -0.778 . . . . 0.45000000000000001 109.611 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -53.24 -38.54 63.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 110.029 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.63 -50.23 67.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 0.42999999999999999 110.577 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -59.74 -44.72 93.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.02 -1.05 . . . . 0.28000000000000003 108.975 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.75 -46.05 59.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.383 -0.823 . . . . 2.52 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.06 -48.61 80.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 1.75 110.047 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.65 -38.77 85.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.31 109.267 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.21 -53.12 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.21 109.731 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.02 -33.69 76.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.6899999999999999 110.115 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.552 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.27 -55.64 32.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.272 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.2 -41.85 97.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.29999999999999999 109.615 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.01 -35.44 75.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 1.9299999999999999 108.995 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.427 HD11 HE22 ' A' ' 354' ' ' GLN . 26.1 tp -65.98 -51.82 54.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.463 -0.773 . . . . 0.40000000000000002 109.571 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 355' ' ' ALA . 15.2 ttmm -62.38 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.355 -0.841 . . . . 1.5900000000000001 108.984 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.25 -39.07 69.34 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.616 -0.678 . . . . 1.4299999999999999 109.518 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.69 -50.76 48.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.2 -0.938 . . . . 0.65000000000000002 109.631 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.48 HE22 HD11 ' A' ' 350' ' ' LEU . 22.3 mt-30 -81.75 1.62 33.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.408 -0.808 . . . . 1.1899999999999999 109.863 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.72 -80.9 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.125 -0.984 . . . . 1.22 109.386 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.95 81.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.698 -1.361 . . . . 1.53 109.698 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' B' ' 355' ' ' ALA . 79.5 tttt -86.44 -87.07 0.14 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.271 -1.135 . . . . 4.21 109.521 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 153.81 2.87 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 5.6799999999999997 108.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.58 150.39 35.48 Favored 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 121.171 1.247 . . . . 5.5700000000000003 109.824 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.014 -1.436 . . . . 7.2000000000000002 109.583 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.538 -0.541 . . . . 8.9600000000000009 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 319' ' ' LYS . 63.8 tttt 59.09 112.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -0.854 . . . . 8.1500000000000004 109.657 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt 51.29 69.87 2.3 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.436 -0.79 . . . . 7.1500000000000004 109.659 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.66 41.01 0.36 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.909 1.739 . . . . 4.3499999999999996 110.349 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.97 98.0 6.27 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.566 -1.334 . . . . 4.6299999999999999 109.67 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -83.42 156.31 23.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.483 -0.76 . . . . 2.8500000000000001 109.692 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.99 164.9 51.46 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.64 -1.384 . . . . 1.1200000000000001 109.64 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.58 139.39 57.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.279 -1.13 . . . . 2.1099999999999999 109.741 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -95.09 155.51 16.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -0.878 . . . . 0.64000000000000001 109.705 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.2 138.58 31.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.216 -0.927 . . . . 0.48999999999999999 109.075 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -96.22 161.6 13.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.919 . . . . 0.46999999999999997 109.104 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.2 tp -149.26 135.45 19.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.972 . . . . 0.41999999999999998 110.165 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.34 128.55 34.74 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.635 -0.876 . . . . 1.8100000000000001 108.635 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -124.39 118.09 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-O 121.732 0.777 . . . . 0.41999999999999998 109.881 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.49 147.78 35.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 2.3500000000000001 109.772 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.57 137.66 5.47 Favored Glycine 0 N--CA 1.497 2.73 0 C-N-CA 120.257 -0.973 . . . . 0.40999999999999998 110.723 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -85.45 -43.46 13.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -1.027 . . . . 2.5899999999999999 109.228 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.25 -45.83 91.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.91 . . . . 2.54 109.579 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.514 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.73 98.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.264 -0.898 . . . . 3.3900000000000001 109.569 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.51 -52.59 53.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.435 -0.791 . . . . 0.46999999999999997 109.619 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -53.2 -38.57 62.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -0.882 . . . . 1.6599999999999999 110.028 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 60.0 ttp -64.56 -50.21 68.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.201 -0.937 . . . . 0.60999999999999999 110.598 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -59.68 -44.73 93.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.33000000000000002 109.011 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -50.88 -45.94 60.24 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 109.553 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.13 -48.56 81.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.385 -0.822 . . . . 1.78 109.999 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.65 -38.77 85.93 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.122 -0.986 . . . . 0.38 109.22 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -59.27 -53.05 62.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 1.2 109.688 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.01 -33.65 76.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.894 . . . . 2.1200000000000001 110.033 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -55.72 31.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.291 -0.881 . . . . 0.26000000000000001 110.226 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -41.91 97.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.40000000000000002 109.521 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.95 -35.51 75.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.172 -0.955 . . . . 2.0899999999999999 109.002 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.413 HD11 HE22 ' D' ' 354' ' ' GLN . 26.1 tp -65.89 -51.94 54.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 0.75 109.547 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' C' ' 355' ' ' ALA . 15.2 ttmm -62.39 -38.91 91.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.007 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.3 -38.99 69.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.659 -0.651 . . . . 1.3400000000000001 109.477 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -50.8 47.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.71999999999999997 109.608 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.406 ' OE1' ' OE1' ' D' ' 354' ' ' GLN . 22.3 mt-30 -81.73 1.59 33.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.377 -0.827 . . . . 1.8 109.85 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.72 -80.95 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.3899999999999999 109.342 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.89 82.01 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.657 -1.377 . . . . 1.6599999999999999 109.657 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' C' ' 355' ' ' ALA . 79.4 tttt -86.51 -87.1 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.205 -1.174 . . . . 4.4500000000000002 109.44 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' C' ' 358' ' ' GLU . 0.8 OUTLIER -50.87 153.77 2.81 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.223 -0.923 . . . . 6.1900000000000004 108.956 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.58 150.5 34.97 Favored 'Trans proline' 0 C--N 1.322 -0.827 0 C-N-CA 120.999 1.133 . . . . 5.5800000000000001 109.932 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 117.932 -1.482 . . . . 6.9000000000000004 109.564 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 320' ' ' LYS . 60.0 mttp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.273 0.559 . . . . 7.3600000000000003 109.534 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 319' ' ' LYS . 63.8 tttt 59.26 112.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.283 -0.886 . . . . 7.1500000000000004 109.603 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 51.26 69.84 2.32 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 6.5 109.731 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -70.68 41.06 0.36 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 121.813 1.676 . . . . 4.5 110.344 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.97 97.92 6.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.557 -1.34 . . . . 4.3200000000000003 109.639 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -83.44 156.39 22.94 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.495 -0.753 . . . . 2.46 109.628 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.92 164.96 51.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.659 -1.376 . . . . 0.96999999999999997 109.659 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.62 139.31 57.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.211 -1.17 . . . . 1.6699999999999999 109.664 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -95.03 155.56 16.68 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.242 -0.911 . . . . 0.60999999999999999 109.657 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.25 138.69 31.58 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.184 -0.947 . . . . 0.56000000000000005 109.039 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -96.36 161.84 13.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.42999999999999999 109.055 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -149.47 135.22 18.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.026 . . . . 0.34999999999999998 110.195 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.18 128.57 34.72 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.703 -0.851 . . . . 1.3700000000000001 108.703 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.33 118.15 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 CA-C-O 121.603 0.716 . . . . 0.47999999999999998 109.867 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.59 147.81 35.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.639 -0.663 . . . . 2.0800000000000001 109.795 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.53 137.56 5.42 Favored Glycine 0 N--CA 1.495 2.613 0 O-C-N 121.189 -0.944 . . . . 0.40000000000000002 110.764 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -85.4 -43.35 13.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.465 -1.021 . . . . 2.6400000000000001 109.263 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -60.34 -45.81 92.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.2200000000000002 109.527 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.508 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.4 ttm-85 -63.01 -40.64 98.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.283 -0.885 . . . . 2.7400000000000002 109.612 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -52.67 -52.42 55.93 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.456 -0.777 . . . . 0.42999999999999999 109.617 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.34 -38.47 63.28 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 1.6899999999999999 109.999 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.467 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 60.0 ttp -64.72 -50.08 68.34 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.197 -0.94 . . . . 0.42999999999999999 110.638 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.78 -44.72 93.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.064 -1.023 . . . . 0.27000000000000002 108.977 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -50.78 -46.01 59.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.409 -0.807 . . . . 2.4500000000000002 109.537 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.11 -48.63 80.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.275 -0.89 . . . . 1.75 110.018 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.58 -38.82 85.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.093 -1.004 . . . . 0.31 109.231 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -59.15 -53.15 61.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.277 -0.89 . . . . 1.22 109.712 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.01 -33.59 76.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.225 -0.922 . . . . 1.73 110.042 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.512 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.29 -55.73 31.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.122 -0.986 . . . . 0.28000000000000003 110.317 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.26 -41.83 97.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.088 -1.008 . . . . 0.31 109.567 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.97 -35.51 75.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.136 -0.977 . . . . 1.9099999999999999 108.972 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.92 -52.02 53.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.42 -0.8 . . . . 0.42999999999999999 109.571 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' D' ' 355' ' ' ALA . 15.2 ttmm -62.34 -38.85 91.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.379 -0.826 . . . . 1.5700000000000001 108.993 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.27 -39.11 69.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.719 -0.613 . . . . 1.4399999999999999 109.507 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.77 -50.74 48.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 0.64000000000000001 109.559 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.413 HE22 HD11 ' C' ' 350' ' ' LEU . 22.3 mt-30 -81.64 1.52 33.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.84 . . . . 1.21 109.865 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.7 -80.93 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.125 -0.984 . . . . 1.22 109.374 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -57.91 82.06 0.01 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.68 -1.368 . . . . 1.5 109.68 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 355' ' ' ALA . 79.5 tttt -86.52 -87.04 0.14 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.214 -1.168 . . . . 4.1799999999999997 109.523 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.0 153.9 2.83 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.23 -0.919 . . . . 5.6699999999999999 108.884 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -54.7 150.49 35.84 Favored 'Trans proline' 0 C--N 1.324 -0.743 0 C-N-CA 121.096 1.197 . . . . 5.6500000000000004 109.822 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.964 -1.464 . . . . 7.2699999999999996 109.587 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 108.99 -0.744 . . . . 7.3300000000000001 108.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 55.78 74.44 0.38 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.247 -0.908 . . . . 7.21 109.515 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.72 81.57 0.26 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.174 -0.954 . . . . 6.4699999999999998 109.381 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.61 -2.06 3.09 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.939 1.093 . . . . 4.5300000000000002 109.917 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.2 99.27 10.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 4.3499999999999996 109.052 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -81.04 -138.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.388 -0.82 . . . . 2.48 109.538 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.411 ' H ' ' NE ' ' C' ' 333' ' ' ARG . . . -68.0 -179.26 15.94 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.553 -1.419 . . . . 0.97999999999999998 109.553 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.97 131.11 50.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.306 -1.114 . . . . 1.7 109.787 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.77 151.2 19.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.262 -0.899 . . . . 0.60999999999999999 109.135 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.51 ' H ' ' NE2' ' C' ' 331' ' ' GLN . 80.3 m-85 -135.72 -169.05 2.32 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.347 -0.845 . . . . 0.57999999999999996 109.837 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.01 151.61 32.31 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.321 -0.992 . . . . 0.41999999999999998 108.321 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 65.0 tp -143.53 135.62 26.78 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.279 -0.888 . . . . 0.35999999999999999 109.895 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.566 ' NE2' ' H ' ' C' ' 328' ' ' PHE . 5.4 tm0? -84.47 128.03 34.36 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.371 -0.974 . . . . 1.3700000000000001 108.371 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.1 mt -123.75 107.58 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 108.892 -0.781 . . . . 0.46999999999999997 108.892 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.432 ' NE ' ' H ' ' C' ' 325' ' ' GLY . 2.3 tmt_? -75.52 142.8 42.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.53 -0.731 . . . . 2.1000000000000001 109.845 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.5 133.3 7.95 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.878 -1.289 . . . . 0.41999999999999998 109.878 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.71 -46.9 20.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.365 -1.079 . . . . 2.6800000000000002 109.296 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -58.04 -44.15 87.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.355 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.12 -43.33 98.72 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.36 -0.837 . . . . 2.77 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -54.41 -58.65 6.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.569 -0.707 . . . . 0.42999999999999999 109.868 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.32 -40.06 61.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.421 -0.799 . . . . 1.6599999999999999 109.745 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.55 -51.29 66.06 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.223 -0.923 . . . . 0.44 110.058 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.43 -47.99 83.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.119 -0.988 . . . . 0.28999999999999998 108.994 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.33 -43.04 61.63 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.377 -0.827 . . . . 2.4399999999999999 109.682 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.85 -43.46 94.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -0.939 . . . . 1.74 109.939 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.57 -43.78 98.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.29999999999999999 109.314 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.71 -51.37 69.8 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.229 -0.92 . . . . 1.22 109.455 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.97 -39.61 95.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.87 . . . . 1.72 109.803 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -52.36 65.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.325 -0.859 . . . . 0.27000000000000002 109.948 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.28999999999999998 109.486 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.59 -35.89 75.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 109.43 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.403 HD11 HE22 ' B' ' 354' ' ' GLN . 39.0 tp -63.14 -49.28 74.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.255 -0.903 . . . . 0.40999999999999998 109.351 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.54 78.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.388 -0.82 . . . . 1.5600000000000001 108.974 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.29 -31.06 67.12 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.545 -0.722 . . . . 1.4299999999999999 109.597 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.9 84.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.66000000000000003 109.93 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.476 HE22 HD11 ' B' ' 350' ' ' LEU . 64.6 mt-30 -82.16 -8.98 59.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.261 -0.899 . . . . 1.1799999999999999 109.46 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.68 -4.32 26.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 1.23 109.201 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.92 -2.43 90.66 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.706 -1.357 . . . . 1.54 109.706 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.06 100.55 12.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.178 -1.189 . . . . 4.1799999999999997 109.31 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 358' ' ' GLU . 2.7 pt-20 -51.97 154.33 3.91 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.208 -0.932 . . . . 5.71 109.1 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.48 153.19 36.21 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.12 1.214 . . . . 5.6100000000000003 109.958 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.944 -1.475 . . . . 7.2400000000000002 109.622 179.63 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 108.919 -0.771 . . . . 7.3399999999999999 108.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 55.78 74.44 0.38 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.886 . . . . 7.1699999999999999 109.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.71 81.51 0.26 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 6.4400000000000004 109.396 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.52 -2.11 3.06 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 120.92 1.08 . . . . 4.54 109.883 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.15 99.3 10.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.122 -0.986 . . . . 4.3200000000000003 109.088 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -81.11 -138.98 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.483 -0.76 . . . . 2.4700000000000002 109.543 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.43 ' H ' ' NE ' ' D' ' 333' ' ' ARG . . . -67.52 -179.3 13.75 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.599 -1.4 . . . . 0.94999999999999996 109.599 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.05 131.15 50.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -1.11 . . . . 1.6100000000000001 109.791 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -93.72 151.09 19.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.192 -0.942 . . . . 0.56999999999999995 109.105 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.51 ' H ' ' NE2' ' D' ' 331' ' ' GLN . 80.6 m-85 -135.67 -169.08 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.327 -0.858 . . . . 0.53000000000000003 109.8 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -150.98 151.52 32.21 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.371 -0.974 . . . . 0.38 108.371 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.41 135.72 27.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.35999999999999999 109.847 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.556 ' NE2' ' H ' ' D' ' 328' ' ' PHE . 5.4 tm0? -84.72 128.02 34.4 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.367 -0.975 . . . . 1.3600000000000001 108.367 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.65 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.954 -0.758 . . . . 0.48999999999999999 108.954 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.435 ' NE ' ' H ' ' D' ' 325' ' ' GLY . 2.3 tmt_? -75.44 142.76 42.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.567 -0.708 . . . . 2.1000000000000001 109.889 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.39 133.23 7.91 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -77.56 -46.95 20.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -1.126 . . . . 2.7200000000000002 109.38 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.96 -44.27 86.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.375 -0.828 . . . . 2.21 109.314 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.06 -43.35 98.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.314 -0.866 . . . . 2.79 109.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.56 6.98 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.663 -0.648 . . . . 0.45000000000000001 109.965 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.29 -40.06 61.31 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 109.778 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -51.26 66.03 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.285 -0.884 . . . . 0.42999999999999999 109.983 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.44 -47.96 83.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.28000000000000003 109.003 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.92 61.91 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.338 -0.851 . . . . 2.52 109.64 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.47 94.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 1.75 109.946 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.69 -43.76 98.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.155 -0.966 . . . . 0.31 109.28 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.65 -51.34 69.91 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.266 -0.896 . . . . 1.21 109.443 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.06 -39.54 95.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.827 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.97 -52.23 66.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -0.884 . . . . 0.27000000000000002 109.919 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.76 -43.84 98.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.29999999999999999 109.468 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.47 -36.02 75.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.9299999999999999 109.376 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.476 HD11 HE22 ' A' ' 354' ' ' GLN . 39.0 tp -63.18 -49.27 74.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.40000000000000002 109.337 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.08 -48.5 78.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.345 -0.847 . . . . 1.5900000000000001 108.984 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.26 -31.06 67.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.554 -0.716 . . . . 1.4299999999999999 109.626 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.99 84.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.927 . . . . 0.65000000000000002 109.902 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.403 HE22 HD11 ' A' ' 350' ' ' LEU . 64.6 mt-30 -82.13 -9.02 59.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.16 -0.962 . . . . 1.1899999999999999 109.519 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.56 -4.42 26.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.22 109.259 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.98 -2.39 90.67 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.645 -1.382 . . . . 1.53 109.645 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -86.03 100.48 12.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 4.21 109.305 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' B' ' 358' ' ' GLU . 2.6 pt-20 -51.96 154.32 3.89 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.261 -0.899 . . . . 5.6799999999999997 109.065 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -56.53 153.28 36.06 Favored 'Trans proline' 0 C--N 1.324 -0.75 0 C-N-CA 121.046 1.164 . . . . 5.5700000000000003 110.025 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.985 -1.453 . . . . 7.2000000000000002 109.652 179.756 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.923 -0.769 . . . . 8.9600000000000009 108.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 55.83 74.35 0.39 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.274 -0.891 . . . . 8.1500000000000004 109.546 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.88 81.5 0.26 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.052 -1.03 . . . . 7.1500000000000004 109.356 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.56 -2.08 3.07 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 120.963 1.109 . . . . 4.3499999999999996 109.871 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.23 99.33 10.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.003 . . . . 4.6299999999999999 109.055 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -81.0 -138.77 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.342 -0.849 . . . . 2.8500000000000001 109.56 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.432 ' H ' ' NE ' ' A' ' 333' ' ' ARG . . . -67.94 -179.26 15.67 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.481 -1.448 . . . . 1.1200000000000001 109.481 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.95 131.1 50.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.223 -1.163 . . . . 2.1099999999999999 109.784 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -93.73 151.0 19.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.885 . . . . 0.64000000000000001 109.185 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.566 ' H ' ' NE2' ' A' ' 331' ' ' GLN . 80.4 m-85 -135.6 -169.11 2.33 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.327 -0.858 . . . . 0.48999999999999999 109.831 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.5 p -150.99 151.49 32.16 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.354 -0.98 . . . . 0.46999999999999997 108.354 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 65.2 tp -143.43 135.72 27.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.216 -0.927 . . . . 0.41999999999999998 109.838 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' A' ' 328' ' ' PHE . 5.4 tm0? -84.74 127.96 34.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.37 -0.974 . . . . 1.8100000000000001 108.37 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.68 107.62 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 N-CA-C 108.885 -0.783 . . . . 0.41999999999999998 108.885 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.411 ' NE ' ' H ' ' A' ' 325' ' ' GLY . 2.3 tmt_? -75.55 142.77 42.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.583 -0.698 . . . . 2.3500000000000001 109.857 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.36 133.31 7.94 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 109.887 -1.285 . . . . 0.40999999999999998 109.887 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.55 -47.03 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -1.085 . . . . 2.5899999999999999 109.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.0 -44.08 87.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.35 -0.844 . . . . 2.54 109.364 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -63.24 -43.28 98.48 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.37 -0.831 . . . . 3.3900000000000001 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.51 -58.51 7.21 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.66 -0.65 . . . . 0.46999999999999997 109.897 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.44 -39.91 61.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.761 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.27 66.06 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.227 -0.921 . . . . 0.60999999999999999 110.014 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.49 -47.92 83.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.156 -0.965 . . . . 0.33000000000000002 109.013 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.45 -42.93 61.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.352 -0.842 . . . . 3.2799999999999998 109.692 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.94 -43.38 95.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.261 -0.899 . . . . 1.78 109.901 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.65 -43.76 98.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.131 -0.981 . . . . 0.38 109.285 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -57.73 -51.27 70.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 1.2 109.448 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -63.02 -39.6 95.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.336 -0.853 . . . . 2.1200000000000001 109.856 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.87 -52.26 66.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.907 . . . . 0.26000000000000001 109.952 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.83 -43.83 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.211 -0.93 . . . . 0.40000000000000002 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.43 -36.0 75.06 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.38 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -49.27 74.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.294 -0.879 . . . . 0.75 109.351 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.438 -0.789 . . . . 2.1899999999999999 108.925 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.24 -31.09 67.06 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.611 -0.68 . . . . 1.3400000000000001 109.623 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.0 84.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.71999999999999997 109.917 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -82.14 -8.97 59.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 1.8 109.499 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.56 -4.45 27.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.236 -0.915 . . . . 1.3899999999999999 109.239 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.92 -2.37 90.66 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.721 -1.352 . . . . 1.6599999999999999 109.721 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.02 100.48 12.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -1.174 . . . . 4.4500000000000002 109.293 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -51.99 154.41 3.86 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 6.1900000000000004 109.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.59 153.22 36.75 Favored 'Trans proline' 0 C--N 1.325 -0.679 0 C-N-CA 121.077 1.185 . . . . 5.5800000000000001 110.075 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 118.021 -1.433 . . . . 6.9000000000000004 109.64 179.77 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 108.935 -0.765 . . . . 7.3600000000000003 108.935 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 55.93 74.31 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 7.1500000000000004 109.511 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt 53.79 81.57 0.26 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.933 . . . . 6.5 109.349 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.6 -2.1 3.12 Favored 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 120.989 1.126 . . . . 4.5 109.837 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.19 99.32 10.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.072 -1.018 . . . . 4.3200000000000003 109.013 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -81.06 -138.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 2.46 109.522 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.435 ' H ' ' NE ' ' B' ' 333' ' ' ARG . . . -67.89 -179.37 15.67 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.547 -1.421 . . . . 0.96999999999999997 109.547 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.93 131.14 50.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -1.146 . . . . 1.6699999999999999 109.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -93.66 151.01 19.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.246 -0.909 . . . . 0.60999999999999999 109.25 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.556 ' H ' ' NE2' ' B' ' 331' ' ' GLN . 80.4 m-85 -135.65 -169.06 2.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.406 -0.809 . . . . 0.56000000000000005 109.836 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.1 151.42 31.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.433 -0.951 . . . . 0.42999999999999999 108.433 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 65.3 tp -143.34 135.68 27.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.234 -0.917 . . . . 0.34999999999999998 109.883 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' B' ' 328' ' ' PHE . 5.4 tm0? -84.75 128.11 34.45 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.325 -0.991 . . . . 1.3700000000000001 108.325 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -123.78 107.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 N-CA-C 108.89 -0.781 . . . . 0.47999999999999998 108.89 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.43 ' NE ' ' H ' ' B' ' 325' ' ' GLY . 2.3 tmt_? -75.42 142.86 42.95 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.631 -0.668 . . . . 2.0800000000000001 109.876 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.34 133.26 7.92 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.887 -1.285 . . . . 0.40000000000000002 109.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -77.6 -46.98 20.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.388 -1.066 . . . . 2.6400000000000001 109.393 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.04 -44.13 87.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 2.2200000000000002 109.368 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -63.15 -43.36 98.53 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.291 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -54.44 -58.58 6.89 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.587 -0.696 . . . . 0.42999999999999999 109.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -52.34 -40.01 61.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.374 -0.829 . . . . 1.6899999999999999 109.793 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.8 ttp -63.59 -51.26 66.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.228 -0.92 . . . . 0.42999999999999999 110.026 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.41 -48.02 83.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.27000000000000002 109.008 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.37 -42.97 61.73 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.308 -0.87 . . . . 2.4500000000000002 109.742 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.8 -43.51 94.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.229 -0.92 . . . . 1.75 109.89 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.63 -43.81 98.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.31 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -57.55 -51.52 69.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.295 -0.878 . . . . 1.22 109.463 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -62.98 -39.53 94.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 1.73 109.863 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.85 -52.3 66.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 0.28000000000000003 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.84 -43.53 98.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.176 -0.953 . . . . 0.31 109.469 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -59.75 -35.87 75.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.9099999999999999 109.407 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.3 -49.23 74.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -0.868 . . . . 0.42999999999999999 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.07 -48.57 78.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.444 -0.785 . . . . 1.5700000000000001 108.951 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -58.25 -31.15 67.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.543 -0.723 . . . . 1.4399999999999999 109.6 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.0 84.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.255 -0.903 . . . . 0.64000000000000001 109.939 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -82.13 -8.97 59.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.096 -1.003 . . . . 1.21 109.525 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -4.4 27.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 1.22 109.175 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.9 -2.44 90.66 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -86.0 100.56 12.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.127 -1.219 . . . . 4.1799999999999997 109.269 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -52.02 154.34 3.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 5.6699999999999999 109.05 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -56.56 153.18 36.72 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 121.095 1.197 . . . . 5.6500000000000004 110.003 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.955 -1.47 . . . . 7.2699999999999996 109.646 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.438 -0.579 . . . . 7.3300000000000001 109.438 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.74 88.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.245 -0.909 . . . . 7.21 109.445 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.77 66.81 1.42 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 6.4699999999999998 109.299 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.14 131.83 29.85 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 121.369 1.379 . . . . 4.5300000000000002 110.034 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.4 mt -80.72 66.71 6.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.945 . . . . 4.3499999999999996 109.246 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.28 133.82 35.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.694 -0.628 . . . . 2.48 110.216 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.76 -178.5 26.45 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.837 -1.305 . . . . 0.97999999999999998 109.837 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 21.1 mp0 -61.15 145.37 51.28 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -1.084 . . . . 1.7 109.541 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 30.4 m-85 -98.0 151.83 19.91 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -0.891 . . . . 0.60999999999999999 110.418 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.41 135.77 32.4 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.374 -0.973 . . . . 0.57999999999999996 108.374 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 71.1 p -96.84 160.71 14.21 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.249 -0.907 . . . . 0.41999999999999998 109.715 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -148.2 134.56 19.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -0.858 . . . . 0.35999999999999999 109.81 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.59 129.64 34.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.543 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.96 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 N-CA-C 109.044 -0.725 . . . . 0.46999999999999997 109.044 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.8 154.9 35.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.375 -0.828 . . . . 2.1000000000000001 110.19 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 139.26 2.23 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.411 -1.076 . . . . 0.41999999999999998 110.411 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -82.82 -47.56 11.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.353 -1.087 . . . . 2.6800000000000002 109.342 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.54 -37.5 73.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.831 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.86 -38.91 90.03 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.394 -0.816 . . . . 2.77 109.23 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.54 -52.2 64.5 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.566 -0.709 . . . . 0.42999999999999999 109.878 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.35 -39.13 60.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.956 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.97 -53.37 55.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.126 -0.984 . . . . 0.44 110.054 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.84 -45.1 95.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.995 . . . . 0.28999999999999998 108.94 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.23 -41.68 60.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 2.4399999999999999 109.213 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.92 63.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 1.74 109.503 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -38.88 86.03 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.161 -0.962 . . . . 0.29999999999999999 108.563 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.55 -55.8 30.19 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.426 -0.796 . . . . 1.22 109.361 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.14 -34.07 76.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 1.72 109.497 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.77 -55.34 34.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -0.863 . . . . 0.27000000000000002 109.756 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.8 mt -61.73 -44.77 96.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 0.28999999999999998 109.64 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.09 -34.81 73.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.231 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.57 -50.74 66.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.355 -0.841 . . . . 0.40999999999999998 109.667 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.08 99.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.38 -0.825 . . . . 1.5600000000000001 109.061 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.51 -33.78 66.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.488 -0.758 . . . . 1.4299999999999999 109.406 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.05 -47.82 67.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.265 -0.897 . . . . 0.66000000000000003 109.672 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 49.9 mt-30 -80.91 -1.14 42.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.3 -0.875 . . . . 1.1799999999999999 109.643 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -84.55 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.183 -0.948 . . . . 1.23 109.303 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.12 76.53 0.89 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.406 -1.477 . . . . 1.54 109.406 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.85 176.39 8.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.304 -1.115 . . . . 4.1799999999999997 109.534 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 360' ' ' GLY . 40.5 mm-40 -50.3 152.09 3.31 Favored Pre-proline 0 N--CA 1.488 1.432 0 O-C-N 121.427 -0.796 . . . . 5.71 109.182 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.47 3.33 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 121.237 1.292 . . . . 5.6100000000000003 110.259 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.926 -1.486 . . . . 7.2400000000000002 109.593 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.459 -0.571 . . . . 7.3399999999999999 109.459 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.71 88.63 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -0.897 . . . . 7.1699999999999999 109.508 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.8 66.79 1.42 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.218 -0.926 . . . . 6.4400000000000004 109.31 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.17 131.86 29.89 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 121.36 1.373 . . . . 4.54 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.75 66.59 6.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.942 . . . . 4.3200000000000003 109.284 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.99 135.08 35.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.63 -0.669 . . . . 2.4700000000000002 110.054 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -72.45 -178.64 33.12 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.807 -1.317 . . . . 0.94999999999999996 109.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' B' ' 326' ' ' GLU . 21.2 mp0 -60.88 145.26 50.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.317 -1.108 . . . . 1.6100000000000001 109.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 30.4 m-85 -97.98 151.6 20.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.221 -0.924 . . . . 0.56999999999999995 110.438 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.15 135.82 32.86 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.29 -1.004 . . . . 0.53000000000000003 108.29 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.9 p -96.81 160.82 14.15 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.262 -0.899 . . . . 0.38 109.74 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -148.24 134.44 19.39 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.355 -0.84 . . . . 0.35999999999999999 109.843 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.45 129.51 34.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.426 -0.796 . . . . 1.3600000000000001 109.593 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.3 mt -124.06 115.88 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.547 -0.721 . . . . 0.48999999999999999 109.108 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -75.67 155.13 36.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.365 -0.834 . . . . 2.1000000000000001 110.206 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.14 139.2 2.1 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.429 -1.068 . . . . 0.44 110.429 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -82.7 -47.76 11.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.364 -1.08 . . . . 2.7200000000000002 109.264 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.5 -37.49 73.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.99 . . . . 2.21 108.814 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -61.79 -39.0 90.16 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.482 -0.761 . . . . 2.79 109.257 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.46 -52.14 64.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.482 -0.761 . . . . 0.45000000000000001 110.006 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.37 -39.11 60.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.022 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -63.0 -53.33 55.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.201 -0.937 . . . . 0.42999999999999999 110.107 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.85 -45.06 96.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.28000000000000003 108.93 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.2 -41.81 60.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.318 -0.864 . . . . 2.52 109.214 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.54 -52.82 64.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 1.75 109.61 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.55 -38.89 85.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.31 108.607 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.63 -55.59 32.92 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.434 -0.791 . . . . 1.21 109.352 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.25 -33.96 76.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 109.536 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.83 -55.49 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -0.888 . . . . 0.27000000000000002 109.831 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.59 -44.92 96.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.255 -0.903 . . . . 0.29999999999999999 109.566 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.125 -0.985 . . . . 1.9299999999999999 109.393 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.62 -50.63 66.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.279 -0.888 . . . . 0.40000000000000002 109.646 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.12 -43.14 99.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.348 -0.845 . . . . 1.5900000000000001 109.013 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -56.43 -33.8 66.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.452 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.04 -47.9 67.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.65000000000000002 109.6 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 49.8 mt-30 -80.83 -1.16 42.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.294 -0.879 . . . . 1.1899999999999999 109.656 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -84.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.092 -1.005 . . . . 1.22 109.29 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.06 76.54 0.88 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.453 -1.459 . . . . 1.53 109.453 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.82 176.43 8.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.303 -1.116 . . . . 4.21 109.473 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 360' ' ' GLY . 40.5 mm-40 -50.35 152.16 3.32 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.304 -0.872 . . . . 5.6799999999999997 109.051 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.61 3.37 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.215 1.277 . . . . 5.5700000000000003 110.183 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.906 -1.497 . . . . 7.2000000000000002 109.629 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.469 -0.567 . . . . 8.9600000000000009 109.469 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.77 88.62 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 8.1500000000000004 109.49 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.85 66.79 1.41 Allowed Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.188 -0.945 . . . . 7.1500000000000004 109.223 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.14 131.92 30.17 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.389 1.392 . . . . 4.3499999999999996 110.033 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.87 66.7 6.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 4.6299999999999999 109.303 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.16 134.14 35.58 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.613 -0.679 . . . . 2.8500000000000001 110.195 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.29 -178.71 29.06 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.806 -1.317 . . . . 1.1200000000000001 109.806 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' C' ' 326' ' ' GLU . 21.4 mp0 -60.94 145.26 51.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.342 -1.093 . . . . 2.1099999999999999 109.529 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 31.0 m-85 -98.08 151.72 20.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 110.397 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -140.26 135.9 32.77 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.373 -0.973 . . . . 0.48999999999999999 108.373 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -96.94 160.77 14.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.333 -0.854 . . . . 0.46999999999999997 109.737 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.0 tp -148.22 134.56 19.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.859 . . . . 0.41999999999999998 109.824 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.48 129.54 34.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.475 -0.765 . . . . 1.8100000000000001 109.607 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -124.12 116.0 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.536 -0.727 . . . . 0.41999999999999998 109.059 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.82 155.07 35.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.414 -0.804 . . . . 2.3500000000000001 110.132 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 139.23 2.18 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.371 -1.092 . . . . 0.40999999999999998 110.371 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.8 -47.66 11.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -1.076 . . . . 2.5899999999999999 109.247 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.44 -37.55 73.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.13 -0.981 . . . . 2.54 108.837 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.76 -39.07 90.33 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.387 -0.821 . . . . 3.3900000000000001 109.27 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -55.48 -52.18 64.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -0.779 . . . . 0.46999999999999997 109.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.42 -39.08 60.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.977 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.02 -53.36 55.11 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.191 -0.943 . . . . 0.60999999999999999 110.065 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.84 -45.1 95.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.33000000000000002 108.877 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.21 -41.83 60.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.845 . . . . 3.2799999999999998 109.189 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -58.51 -52.81 64.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 1.78 109.595 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.9 mt -60.52 -38.95 86.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.38 108.606 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.59 -55.72 31.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.364 -0.835 . . . . 1.2 109.34 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.11 -34.04 76.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 2.1200000000000001 109.521 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.89 -55.4 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.318 -0.864 . . . . 0.26000000000000001 109.763 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.63 -44.95 96.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.28 -0.888 . . . . 0.40000000000000002 109.626 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -59.85 -34.87 73.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.101 -0.999 . . . . 2.0899999999999999 109.341 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.66 -50.61 66.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.356 -0.84 . . . . 0.75 109.644 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.14 99.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.379 -0.825 . . . . 2.1899999999999999 109.013 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -56.48 -33.8 66.31 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.417 -0.802 . . . . 1.3400000000000001 109.349 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.86 67.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.285 -0.885 . . . . 0.71999999999999997 109.608 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.566 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 49.9 mt-30 -80.97 -1.04 42.1 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 1.8 109.666 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.66 -84.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.183 -0.948 . . . . 1.3899999999999999 109.249 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.06 76.56 0.87 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.462 -1.455 . . . . 1.6599999999999999 109.462 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.86 176.4 8.51 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.244 -1.151 . . . . 4.4500000000000002 109.541 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' C' ' 360' ' ' GLY . 40.2 mm-40 -50.39 152.06 3.42 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.319 -0.863 . . . . 6.1900000000000004 109.087 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.31 3.24 0.27 Allowed 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.16 1.24 . . . . 5.5800000000000001 110.315 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.993 -1.448 . . . . 6.9000000000000004 109.634 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.271 0.558 . . . . 7.3600000000000003 109.499 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttp 54.56 88.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 7.1500000000000004 109.517 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.78 66.85 1.41 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.191 -0.943 . . . . 6.5 109.268 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.18 131.83 29.79 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 121.385 1.39 . . . . 4.5 110.018 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.5 mt -80.81 66.83 6.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.943 . . . . 4.3200000000000003 109.215 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -81.3 134.09 35.53 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.683 -0.635 . . . . 2.46 110.134 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.15 -178.56 28.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.843 -1.303 . . . . 0.96999999999999997 109.843 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.604 ' H ' ' CD ' ' D' ' 326' ' ' GLU . 21.1 mp0 -61.19 145.3 51.64 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 1.6699999999999999 109.542 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 30.1 m-85 -97.94 151.94 19.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.221 -0.924 . . . . 0.60999999999999999 110.413 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -140.55 135.82 32.23 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.313 -0.995 . . . . 0.56000000000000005 108.313 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 70.5 p -96.84 160.77 14.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.287 -0.883 . . . . 0.42999999999999999 109.725 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 35.7 tp -148.26 134.54 19.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.854 . . . . 0.34999999999999998 109.821 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.5 129.67 34.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.386 -0.821 . . . . 1.3700000000000001 109.542 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -124.09 115.98 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.519 -0.738 . . . . 0.47999999999999998 109.1 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -75.73 154.96 36.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.808 . . . . 2.0800000000000001 110.171 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.3 139.18 2.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.383 -1.087 . . . . 0.40000000000000002 110.383 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -82.68 -47.66 11.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -1.152 . . . . 2.6400000000000001 109.252 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -57.5 -37.65 73.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.051 -1.03 . . . . 2.2200000000000002 108.799 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -61.73 -38.99 90.0 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.503 -0.748 . . . . 2.7400000000000002 109.213 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -55.52 -52.09 64.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.586 -0.696 . . . . 0.42999999999999999 109.927 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -52.4 -39.18 60.58 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 1.6899999999999999 109.932 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.01 -53.29 56.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.078 -1.013 . . . . 0.42999999999999999 110.135 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.82 -45.07 95.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.27000000000000002 108.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.24 -41.75 60.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 2.4500000000000002 109.163 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -58.58 -52.81 64.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.75 109.598 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.6 -38.92 86.27 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.202 -0.936 . . . . 0.31 108.579 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.56 -55.64 32.18 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.422 -0.799 . . . . 1.22 109.355 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.2 -34.16 77.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 1.73 109.533 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -55.33 34.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.325 -0.86 . . . . 0.28000000000000003 109.782 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.68 -44.79 96.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.833 . . . . 0.31 109.672 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.14 -34.8 74.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.9099999999999999 109.265 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.6 -50.67 66.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -0.882 . . . . 0.42999999999999999 109.686 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.04 -43.13 99.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 1.5700000000000001 108.999 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.44 -33.87 66.27 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.432 -0.792 . . . . 1.4399999999999999 109.423 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.82 67.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.64000000000000001 109.634 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.566 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 49.7 mt-30 -80.9 -1.14 42.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.297 -0.877 . . . . 1.21 109.679 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 1.22 109.282 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.95 76.57 0.86 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.42 -1.472 . . . . 1.5 109.42 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -84.93 176.45 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.106 . . . . 4.1799999999999997 109.501 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' D' ' 360' ' ' GLY . 40.5 mm-40 -50.33 152.15 3.3 Favored Pre-proline 0 N--CA 1.488 1.428 0 O-C-N 121.279 -0.888 . . . . 5.6699999999999999 109.095 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.56 3.39 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 121.15 1.233 . . . . 5.6500000000000004 110.239 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.937 -1.479 . . . . 7.2699999999999996 109.64 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.279 -0.637 . . . . 7.3300000000000001 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 319' ' ' LYS . 77.3 mttt 57.24 109.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.252 -0.905 . . . . 7.21 109.588 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.71 148.43 65.36 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.112 -0.993 . . . . 6.4699999999999998 108.798 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.76 -2.88 4.85 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 120.783 0.989 . . . . 4.5300000000000002 110.354 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.48 89.52 7.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.954 -1.091 . . . . 4.3499999999999996 109.94 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -84.99 -164.07 0.93 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.43 -0.794 . . . . 2.48 109.199 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.26 53.52 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.622 -1.391 . . . . 0.97999999999999998 109.622 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.39 136.2 57.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -1.144 . . . . 1.7 109.277 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.91 145.82 26.07 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 110.036 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -140.43 136.58 33.19 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.443 -0.947 . . . . 0.57999999999999996 108.443 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.67 162.42 13.29 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.37 -0.831 . . . . 0.41999999999999998 109.181 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 41.0 tp -149.4 132.32 16.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 0.35999999999999999 109.941 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.41 126.39 33.2 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.83 111.0 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 O-C-N 121.587 -0.696 . . . . 0.46999999999999997 109.302 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.81 150.25 37.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.368 -0.832 . . . . 2.1000000000000001 109.712 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.74 138.58 8.15 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.973 -1.251 . . . . 0.41999999999999998 109.973 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -84.72 -51.18 6.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.38 -1.07 . . . . 2.6800000000000002 109.499 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.63 -42.28 83.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.33 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.56 -44.72 96.52 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.332 -0.855 . . . . 2.77 109.339 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.9 -55.1 34.24 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.673 -0.642 . . . . 0.42999999999999999 109.772 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -52.39 -38.2 58.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.6599999999999999 109.936 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.23 70.49 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 0.44 110.615 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.34 -43.09 99.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.28999999999999998 109.17 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.69 -44.46 63.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 2.4399999999999999 109.386 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.79 -45.85 92.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.306 -0.871 . . . . 1.74 109.725 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.29 -0.881 . . . . 0.29999999999999999 109.224 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.44 -50.83 72.29 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.203 -0.935 . . . . 1.22 109.322 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.2 -36.68 82.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 1.72 109.355 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -51.35 70.24 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.304 -0.872 . . . . 0.27000000000000002 109.626 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 46.9 mt -62.34 -45.25 94.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 0.28999999999999998 109.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.58 -35.01 73.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.286 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -63.75 -50.32 69.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.418 -0.801 . . . . 0.40999999999999998 109.182 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.22 -40.07 88.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 1.5600000000000001 109.034 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 348' ' ' LEU . 1.8 m-20 -56.48 -36.18 68.8 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.516 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.2 83.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.248 -0.908 . . . . 0.66000000000000003 109.658 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.89 -1.18 42.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.1799999999999999 109.369 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.79 -46.25 66.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 1.23 109.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.21 2.21 85.09 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.702 -1.359 . . . . 1.54 109.702 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.35 145.85 27.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -1.12 . . . . 4.1799999999999997 109.553 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -46.87 109.67 1.1 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.408 -0.807 . . . . 5.71 109.371 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.25 162.39 20.24 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 120.645 0.897 . . . . 5.6100000000000003 109.947 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 118.048 -1.418 . . . . 7.2400000000000002 109.595 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.374 -0.602 . . . . 7.3399999999999999 109.374 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 319' ' ' LYS . 77.3 mttt 57.15 109.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.323 -0.86 . . . . 7.1699999999999999 109.582 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.82 148.48 65.09 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.207 -0.933 . . . . 6.4400000000000004 108.765 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.81 -2.83 4.86 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 120.861 1.04 . . . . 4.54 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.49 89.44 7.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.931 -1.106 . . . . 4.3200000000000003 110.026 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -84.95 -163.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.393 -0.817 . . . . 2.4700000000000002 109.164 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.95 157.17 53.51 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.607 -1.397 . . . . 0.94999999999999996 109.607 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.18 136.21 57.88 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.226 -1.161 . . . . 1.6100000000000001 109.402 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.9 145.59 26.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.273 -0.892 . . . . 0.56999999999999995 110.157 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.29 136.44 33.28 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.452 -0.944 . . . . 0.53000000000000003 108.452 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.2 p -97.53 162.45 13.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.374 -0.829 . . . . 0.38 109.2 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 41.2 tp -149.45 132.35 16.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.258 -0.901 . . . . 0.35999999999999999 109.906 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.36 126.35 33.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.612 -0.885 . . . . 1.3600000000000001 108.612 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.77 111.06 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.574 -0.704 . . . . 0.48999999999999999 109.35 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.89 150.27 37.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.1000000000000001 109.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.61 8.12 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.032 -1.227 . . . . 0.44 110.032 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -84.79 -51.15 6.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.404 -1.056 . . . . 2.7200000000000002 109.537 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.54 -42.45 82.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 2.21 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.45 -44.76 96.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.381 -0.825 . . . . 2.79 109.343 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -54.98 -55.07 34.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.579 -0.7 . . . . 0.45000000000000001 109.759 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -52.37 -38.18 58.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.369 -0.832 . . . . 1.6799999999999999 109.975 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.44 -50.41 69.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 110.525 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.22 -43.08 99.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.28000000000000003 109.213 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.73 -44.43 63.26 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.126 -0.984 . . . . 2.52 109.335 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.86 -45.77 93.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.201 -0.937 . . . . 1.75 109.73 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.174 -0.954 . . . . 0.31 109.219 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -58.43 -50.94 71.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.21 109.309 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.17 -36.62 82.41 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 109.398 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.68 -51.32 70.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.27000000000000002 109.583 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.27 -45.03 95.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.223 -0.923 . . . . 0.29999999999999999 109.35 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.9 -34.92 73.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.316 -0.865 . . . . 1.9299999999999999 109.243 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.583 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -63.78 -50.19 69.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.414 -0.804 . . . . 0.40000000000000002 109.192 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -60.32 -40.17 89.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -0.831 . . . . 1.5900000000000001 108.942 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.52 -36.11 68.83 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.649 -0.657 . . . . 1.4299999999999999 109.514 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -37.25 83.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 0.65000000000000002 109.709 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.86 -1.25 42.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.184 -0.948 . . . . 1.1899999999999999 109.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.23 66.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.22 109.528 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 2.31 85.01 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.32 145.83 27.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -1.188 . . . . 4.21 109.512 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -46.86 109.72 1.11 Allowed Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.308 -0.87 . . . . 5.6799999999999997 109.317 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.31 162.4 20.35 Favored 'Trans proline' 0 C--O 1.215 -0.667 0 C-N-CA 120.598 0.865 . . . . 5.5700000000000003 109.929 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 CA-C-O 117.983 -1.454 . . . . 7.2000000000000002 109.614 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.334 -0.617 . . . . 8.9600000000000009 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' C' ' 319' ' ' LYS . 77.3 mttt 57.26 109.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 8.1500000000000004 109.581 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -80.86 148.5 65.0 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.166 -0.959 . . . . 7.1500000000000004 108.769 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.86 -2.84 4.91 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.844 1.03 . . . . 4.3499999999999996 110.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.46 89.44 7.41 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.985 -1.072 . . . . 4.6299999999999999 109.976 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -84.98 -163.99 0.92 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.398 -0.814 . . . . 2.8500000000000001 109.156 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.74 157.21 53.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.606 -1.397 . . . . 1.1200000000000001 109.606 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.24 136.25 57.9 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -1.184 . . . . 2.1099999999999999 109.358 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.95 145.69 26.22 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.221 -0.924 . . . . 0.64000000000000001 110.145 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.28 136.56 33.41 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.427 -0.953 . . . . 0.48999999999999999 108.427 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -97.55 162.51 13.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.376 -0.828 . . . . 0.46999999999999997 109.294 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.5 132.26 15.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.41999999999999998 110.014 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -84.33 126.29 33.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.603 -0.888 . . . . 1.8100000000000001 108.603 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.4 mt -123.8 111.02 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.499 -0.751 . . . . 0.41999999999999998 109.294 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -75.75 150.27 37.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.369 -0.832 . . . . 2.3500000000000001 109.632 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 138.5 8.06 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.992 -1.243 . . . . 0.40999999999999998 109.992 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.66 -51.17 7.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.396 -1.061 . . . . 2.5899999999999999 109.525 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -57.59 -42.33 82.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 2.54 109.349 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -61.62 -44.64 96.62 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.362 -0.836 . . . . 3.3900000000000001 109.303 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -55.01 -55.03 35.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.604 -0.685 . . . . 0.46999999999999997 109.685 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.43 -38.26 58.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 1.6599999999999999 109.968 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.39 -50.26 70.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.60999999999999999 110.596 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.27 -43.13 99.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 0.33000000000000002 109.208 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.63 -44.55 62.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 3.2799999999999998 109.407 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.78 -45.83 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.315 -0.865 . . . . 1.78 109.73 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.53 -43.42 98.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.21 -0.931 . . . . 0.38 109.232 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -58.54 -50.9 72.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 1.2 109.284 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.02 -36.76 82.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 109.417 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -51.32 70.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.26000000000000001 109.552 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 46.5 mt -62.34 -45.04 95.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.40000000000000002 109.385 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.88 -34.94 73.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.226 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -63.68 -50.19 70.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.331 -0.855 . . . . 0.75 109.255 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.34 -40.18 89.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 2.1899999999999999 108.996 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' C' ' 348' ' ' LEU . 1.8 m-20 -56.51 -36.12 68.82 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.427 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.14 83.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.877 . . . . 0.71999999999999997 109.66 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.89 -1.25 42.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 1.8 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.67 -46.29 66.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 1.3899999999999999 109.491 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.3 2.35 84.99 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.69 -1.364 . . . . 1.6599999999999999 109.69 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.34 145.87 27.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.244 -1.151 . . . . 4.4500000000000002 109.549 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.97 109.79 1.13 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 6.1900000000000004 109.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -61.31 162.46 20.17 Favored 'Trans proline' 0 C--O 1.215 -0.641 0 C-N-CA 120.584 0.856 . . . . 5.5800000000000001 109.955 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.994 -1.448 . . . . 6.9000000000000004 109.602 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.8 mptp? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.294 -0.632 . . . . 7.3600000000000003 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' D' ' 319' ' ' LYS . 77.3 mttt 57.24 109.37 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 7.1500000000000004 109.605 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -80.76 148.45 65.23 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.043 -1.036 . . . . 6.5 108.78 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -63.8 -2.9 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 120.839 1.026 . . . . 4.5 110.29 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.43 89.51 7.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.952 -1.092 . . . . 4.3200000000000003 110.007 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -85.05 -163.92 0.91 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -0.809 . . . . 2.46 109.217 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.6 157.19 53.52 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.673 -1.371 . . . . 0.96999999999999997 109.673 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.27 136.26 57.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -1.141 . . . . 1.6699999999999999 109.413 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -97.93 145.6 26.3 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.218 -0.926 . . . . 0.60999999999999999 110.125 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.3 136.36 33.17 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.526 -0.916 . . . . 0.56000000000000005 108.526 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.0 p -97.56 162.44 13.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.368 -0.833 . . . . 0.42999999999999999 109.195 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 41.1 tp -149.38 132.33 16.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.165 -0.959 . . . . 0.34999999999999998 109.941 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -84.33 126.33 33.11 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.61 -0.885 . . . . 1.3700000000000001 108.61 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.82 111.05 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.6 -0.688 . . . . 0.47999999999999998 109.385 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -75.75 150.18 37.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.482 -0.761 . . . . 2.0800000000000001 109.732 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.72 138.57 8.14 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 109.996 -1.242 . . . . 0.40000000000000002 109.996 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -84.75 -51.13 7.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.377 -1.073 . . . . 2.6400000000000001 109.518 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.51 -42.53 82.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.362 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.39 -44.7 96.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.296 -0.878 . . . . 2.7400000000000002 109.308 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -55.12 -54.99 36.16 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.585 -0.697 . . . . 0.42999999999999999 109.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.025 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.48 -50.35 70.02 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.42999999999999999 110.506 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.29 -43.02 99.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.161 -0.962 . . . . 0.27000000000000002 109.212 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.71 -44.49 63.2 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.145 -0.972 . . . . 2.4500000000000002 109.387 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.84 -45.83 92.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.75 109.689 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.44 -43.56 98.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.051 -1.031 . . . . 0.31 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -58.44 -50.97 71.8 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 1.22 109.335 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.01 -36.68 82.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.835 . . . . 1.73 109.472 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.34 70.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.352 -0.842 . . . . 0.28000000000000003 109.62 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.9 mt -62.3 -45.17 94.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.31 109.334 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.74 -34.93 73.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.252 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.643 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -63.79 -50.3 69.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.371 -0.831 . . . . 0.42999999999999999 109.195 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.29 -40.01 88.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.832 . . . . 1.5700000000000001 109.048 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.61 -36.07 69.0 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.69 -0.632 . . . . 1.4399999999999999 109.423 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -37.1 83.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.64000000000000001 109.662 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -80.93 -1.19 42.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 1.21 109.328 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.75 -46.23 66.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.285 -0.884 . . . . 1.22 109.519 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 2.32 84.98 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -85.38 145.8 27.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.304 -1.115 . . . . 4.1799999999999997 109.573 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.87 109.7 1.1 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 5.6699999999999999 109.38 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -61.31 162.51 20.01 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 109.946 -0.828 . . . . 5.6500000000000004 109.946 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 CA-C-O 117.983 -1.454 . . . . 7.2699999999999996 109.59 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 49.8 mttp . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.324 0.583 . . . . 7.3300000000000001 109.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 321' ' ' LYS . 82.0 tttt 55.56 76.12 0.29 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 7.21 109.427 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 320' ' ' LYS . 11.9 mtpp 61.07 148.44 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.542 -0.724 . . . . 6.4699999999999998 109.492 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.52 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 121.001 1.134 . . . . 4.5300000000000002 109.713 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 50.3 mt -80.45 118.16 21.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.339 -0.851 . . . . 4.3499999999999996 109.309 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.02 -110.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.31 -0.869 . . . . 2.48 109.982 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.01 157.56 53.42 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.973 -1.251 . . . . 0.97999999999999998 109.973 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -58.96 137.04 58.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.46 -1.023 . . . . 1.7 109.439 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.49 147.79 23.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.301 -0.874 . . . . 0.60999999999999999 109.915 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.56 -173.26 3.3 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.747 -0.834 . . . . 0.57999999999999996 108.747 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -150.58 149.92 30.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.171 -0.956 . . . . 0.41999999999999998 108.637 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.9 tp -142.09 133.28 26.23 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.295 -0.878 . . . . 0.35999999999999999 109.673 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.44 128.19 34.64 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.962 -0.755 . . . . 1.3700000000000001 108.962 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.86 114.76 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.5 -0.75 . . . . 0.46999999999999997 109.269 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -75.38 147.82 39.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.341 -0.849 . . . . 2.1000000000000001 109.835 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.75 5.36 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.211 -1.155 . . . . 0.41999999999999998 110.211 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.34 -44.38 14.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.356 -1.084 . . . . 2.6800000000000002 109.223 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.43 -46.7 83.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.866 . . . . 2.2200000000000002 109.075 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -62.88 -43.05 99.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 109.148 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -54.81 -55.6 28.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.621 -0.674 . . . . 0.42999999999999999 109.751 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.75 -37.54 51.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 109.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -62.92 -52.44 63.05 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.241 -0.912 . . . . 0.44 110.299 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.23 -42.75 99.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.28999999999999998 109.109 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.95 -42.49 62.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 2.4399999999999999 109.318 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.95 -51.96 67.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 1.74 109.782 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.35 -38.17 82.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 108.837 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.32 -54.87 41.81 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.7 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -61.88 -34.14 75.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.72 109.798 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.25 -50.71 72.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.27000000000000002 109.737 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.86 -42.46 99.08 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 0.28999999999999998 109.368 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.38 -40.81 83.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 108.888 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.53 -41.92 98.46 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.775 -0.824 . . . . 0.40999999999999998 108.775 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.48 -44.19 97.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 108.712 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.31 66.48 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.197 0.522 . . . . 1.4299999999999999 109.948 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -43.52 82.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.983 . . . . 0.66000000000000003 109.746 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.57 1.26 34.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.307 -0.87 . . . . 1.1799999999999999 109.832 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.63 -81.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.008 . . . . 1.23 109.594 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.35 83.97 0.1 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.622 -1.391 . . . . 1.54 109.622 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.05 165.38 17.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.317 -1.108 . . . . 4.1799999999999997 109.631 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.11 153.17 2.49 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.847 . . . . 5.71 108.936 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.46 129.27 34.22 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.04 1.16 . . . . 5.6100000000000003 109.914 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 118.019 -1.434 . . . . 7.2400000000000002 109.57 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 49.8 mttp . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.329 0.585 . . . . 7.3399999999999999 109.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 321' ' ' LYS . 81.9 tttt 55.62 76.15 0.29 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.307 -0.87 . . . . 7.1699999999999999 109.463 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 320' ' ' LYS . 11.9 mtpp 60.92 148.46 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.58 -0.7 . . . . 6.4400000000000004 109.497 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.49 -81.03 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 120.958 1.106 . . . . 4.54 109.763 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.47 118.12 21.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.366 -0.834 . . . . 4.3200000000000003 109.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -80.02 -110.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.38 -0.825 . . . . 2.4700000000000002 109.989 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 157.5 53.35 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.008 -1.237 . . . . 0.94999999999999996 110.008 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.0 136.98 58.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -1.128 . . . . 1.6100000000000001 109.463 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -96.45 147.72 23.54 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.343 -0.848 . . . . 0.56999999999999995 109.941 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -135.5 -173.21 3.28 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.761 -0.829 . . . . 0.53000000000000003 108.761 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -150.66 149.77 30.26 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.062 -1.024 . . . . 0.38 108.645 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -141.95 133.31 26.52 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.358 -0.839 . . . . 0.35999999999999999 109.721 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.38 128.2 34.63 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.962 -0.755 . . . . 1.3600000000000001 108.962 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.89 114.71 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.53 -0.731 . . . . 0.48999999999999999 109.294 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -75.22 147.82 40.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.46 -0.775 . . . . 2.1000000000000001 109.959 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.92 136.73 5.31 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.248 -1.141 . . . . 0.44 110.248 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.33 -44.33 15.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.479 -1.012 . . . . 2.7200000000000002 109.208 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -57.54 -46.83 83.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.265 -0.897 . . . . 2.21 109.043 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.56 -43.16 99.51 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 2.79 109.206 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -54.81 -55.68 27.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.498 -0.751 . . . . 0.45000000000000001 109.719 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.77 -37.44 51.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.901 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.41 63.12 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 110.354 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.21 -42.78 99.2 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.117 -0.99 . . . . 0.28000000000000003 109.053 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.99 -42.49 63.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.52 109.353 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.87 -51.94 67.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.915 . . . . 1.75 109.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.25 -38.29 83.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.083 -1.01 . . . . 0.31 108.858 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.35 -54.85 41.98 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 1.21 109.664 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -34.09 75.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 109.841 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.593 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -50.69 72.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.27000000000000002 109.781 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.89 -42.45 99.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.16 -0.963 . . . . 0.29999999999999999 109.389 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -58.42 -40.77 83.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 108.817 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.64 -41.8 98.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.40000000000000002 108.819 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.47 -44.26 97.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 1.5900000000000001 108.654 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.22 -32.37 66.44 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.78 -0.575 . . . . 1.4299999999999999 110.021 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.55 83.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.047 -1.033 . . . . 0.65000000000000002 109.797 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.52 1.16 34.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 1.1899999999999999 109.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.62 -81.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.079 -1.013 . . . . 1.22 109.608 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.25 83.98 0.1 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.6 -1.4 . . . . 1.53 109.6 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.09 165.32 17.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -1.133 . . . . 4.21 109.664 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.06 153.17 2.46 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.413 -0.804 . . . . 5.6799999999999997 108.875 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.47 129.29 34.34 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 121.083 1.189 . . . . 5.5700000000000003 109.93 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.557 -1.417 . . . . 7.2000000000000002 109.557 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 49.9 mttp . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.378 0.609 . . . . 8.9600000000000009 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' C' ' 321' ' ' LYS . 81.9 tttt 55.62 76.13 0.29 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.261 -0.9 . . . . 8.1500000000000004 109.414 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' C' ' 320' ' ' LYS . 11.9 mtpp 60.98 148.45 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.529 -0.732 . . . . 7.1500000000000004 109.454 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.53 -81.0 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 120.974 1.116 . . . . 4.3499999999999996 109.753 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.46 118.08 21.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 4.6299999999999999 109.395 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -80.03 -110.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.358 -0.839 . . . . 2.8500000000000001 109.939 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 157.56 53.42 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.994 -1.242 . . . . 1.1200000000000001 109.994 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -59.01 136.98 58.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -1.09 . . . . 2.1099999999999999 109.449 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.47 147.86 23.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.88 . . . . 0.64000000000000001 109.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -135.6 -173.21 3.29 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.755 -0.831 . . . . 0.48999999999999999 108.755 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.3 p -150.6 149.96 30.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.093 -1.005 . . . . 0.46999999999999997 108.577 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.1 133.34 26.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.372 -0.83 . . . . 0.41999999999999998 109.666 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.42 128.24 34.65 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.96 -0.756 . . . . 1.8100000000000001 108.96 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.6 mt -123.87 114.74 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.442 -0.786 . . . . 0.41999999999999998 109.247 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.37 147.76 39.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.81 . . . . 2.3500000000000001 109.906 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.99 136.78 5.37 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.225 -1.15 . . . . 0.40999999999999998 110.225 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -83.33 -44.36 14.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.442 -1.034 . . . . 2.5899999999999999 109.225 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -57.54 -46.67 83.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.308 -0.87 . . . . 2.54 109.04 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -62.83 -43.03 99.89 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.286 -0.884 . . . . 3.3900000000000001 109.149 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -54.89 -55.66 28.09 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.643 -0.661 . . . . 0.46999999999999997 109.764 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -51.68 -37.46 50.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.932 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 26.8 ttp -62.94 -52.45 62.98 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.247 -0.908 . . . . 0.60999999999999999 110.302 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -42.7 99.07 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.115 -0.991 . . . . 0.33000000000000002 109.089 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -51.99 -42.55 63.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 3.2799999999999998 109.297 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.91 -51.9 67.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.78 109.839 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.26 -38.3 83.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.38 108.871 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.34 -54.84 42.17 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.468 -0.77 . . . . 1.2 109.658 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -61.87 -34.09 75.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 2.1200000000000001 109.783 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -50.69 72.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 0.26000000000000001 109.721 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.1 mt -61.87 -42.41 99.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.133 -0.98 . . . . 0.40000000000000002 109.369 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.51 -40.76 83.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.0899999999999999 108.758 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.76 -41.66 97.96 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.775 -0.824 . . . . 0.75 108.775 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.6 -44.2 97.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.1899999999999999 108.657 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -32.33 66.35 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.191 0.52 . . . . 1.3400000000000001 110.049 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.71999999999999997 109.81 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.55 1.22 34.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.8 109.888 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.66 -81.7 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 1.3899999999999999 109.577 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.31 83.92 0.1 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.63 -1.388 . . . . 1.6599999999999999 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' C' ' 357' ' ' LYS . 19.9 pttm -84.99 165.34 17.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -1.151 . . . . 4.4500000000000002 109.691 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.09 153.17 2.48 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.275 -0.89 . . . . 6.1900000000000004 108.845 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.52 129.23 34.0 Favored 'Trans proline' 0 C--N 1.322 -0.837 0 C-N-CA 121.05 1.167 . . . . 5.5800000000000001 109.889 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.071 -1.405 . . . . 6.9000000000000004 109.604 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 49.7 mttp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.37 0.605 . . . . 7.3600000000000003 109.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 321' ' ' LYS . 81.9 tttt 55.67 76.06 0.29 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.234 -0.916 . . . . 7.1500000000000004 109.445 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 320' ' ' LYS . 12.0 mtpp 61.01 148.54 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.641 -0.662 . . . . 6.5 109.449 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.57 -80.98 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 121.027 1.151 . . . . 4.5 109.757 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 50.5 mt -80.49 118.12 21.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.393 -0.817 . . . . 4.3200000000000003 109.308 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -80.02 -110.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.357 -0.84 . . . . 2.46 109.956 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 157.55 53.4 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.987 -1.245 . . . . 0.96999999999999997 109.987 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -58.93 136.99 58.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.373 -1.075 . . . . 1.6699999999999999 109.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -96.38 147.81 23.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.272 -0.892 . . . . 0.60999999999999999 109.927 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -135.61 -173.3 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.746 -0.835 . . . . 0.56000000000000005 108.746 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.6 p -150.67 149.64 30.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.42999999999999999 108.741 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.6 tp -141.88 133.32 26.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.324 -0.86 . . . . 0.34999999999999998 109.728 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -85.46 128.22 34.66 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.954 -0.758 . . . . 1.3700000000000001 108.954 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.84 114.79 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.462 -0.774 . . . . 0.47999999999999998 109.266 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -75.36 147.74 39.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.422 -0.798 . . . . 2.0800000000000001 109.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.01 136.81 5.39 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.207 -1.157 . . . . 0.40000000000000002 110.207 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -83.35 -44.38 14.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.417 -1.049 . . . . 2.6400000000000001 109.235 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -57.5 -46.64 83.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -0.85 . . . . 2.2200000000000002 109.134 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -62.84 -43.07 99.78 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.362 -0.836 . . . . 2.7400000000000002 109.181 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -54.84 -55.66 27.85 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.554 -0.716 . . . . 0.42999999999999999 109.758 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -51.68 -37.49 50.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.312 -0.868 . . . . 1.6899999999999999 109.922 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.9 ttp -63.01 -52.4 63.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.275 -0.891 . . . . 0.42999999999999999 110.283 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.2 -42.74 99.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.27000000000000002 109.116 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -51.98 -42.5 63.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 2.4500000000000002 109.316 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.99 -51.86 67.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 1.75 109.819 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.27 -38.33 83.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.931 . . . . 0.31 108.836 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -59.32 -54.84 42.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.453 -0.78 . . . . 1.22 109.634 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -61.89 -34.11 75.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 1.73 109.767 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.589 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -50.64 72.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.255 -0.903 . . . . 0.28000000000000003 109.769 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.92 -42.43 99.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.31 109.364 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.52 -40.7 83.66 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.241 -0.912 . . . . 1.9099999999999999 108.824 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.59 -41.73 98.32 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.835 -0.802 . . . . 0.42999999999999999 108.835 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -61.55 -44.23 97.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 1.5700000000000001 108.738 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -32.27 66.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.842 -0.536 . . . . 1.4399999999999999 110.034 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.53 82.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.929 . . . . 0.64000000000000001 109.768 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -81.57 1.25 34.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.351 -0.843 . . . . 1.21 109.814 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.74 -81.67 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.107 -0.996 . . . . 1.22 109.554 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -66.36 83.97 0.1 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.617 -1.393 . . . . 1.5 109.617 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' D' ' 357' ' ' LYS . 19.9 pttm -84.96 165.44 17.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.256 -1.143 . . . . 4.1799999999999997 109.671 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -50.24 153.19 2.6 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 5.6699999999999999 108.84 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.39 129.19 33.83 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 121.09 1.193 . . . . 5.6500000000000004 110.009 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.034 -1.426 . . . . 7.2699999999999996 109.549 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.517 -0.549 . . . . 7.3300000000000001 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 321' ' ' LYS . 68.0 mmtt 52.94 17.91 0.98 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.291 -0.881 . . . . 7.21 109.598 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 320' ' ' LYS . 51.4 mttp 59.51 147.65 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.805 -0.56 . . . . 6.4699999999999998 109.524 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 321' ' ' LYS . 3.3 Cg_exo -56.23 -162.08 0.01 OUTLIER 'Trans proline' 0 C--O 1.216 -0.618 0 C-N-CA 120.951 1.101 . . . . 4.5300000000000002 110.039 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.18 120.47 24.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 4.3499999999999996 109.423 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.78 -93.34 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.918 . . . . 2.48 109.466 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.68 146.51 45.37 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.486 -1.446 . . . . 0.97999999999999998 109.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.46 125.32 23.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -1.056 . . . . 1.7 109.737 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 39.0 m-85 -93.67 154.42 17.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.208 -0.933 . . . . 0.60999999999999999 109.231 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.91 -175.17 4.05 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.256 -0.902 . . . . 0.57999999999999996 109.573 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.79 148.36 29.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.296 -0.878 . . . . 0.41999999999999998 108.716 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.5 tp -141.07 133.3 28.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.359 -0.838 . . . . 0.35999999999999999 109.819 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.61 131.38 34.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.757 -0.831 . . . . 1.3700000000000001 108.757 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.1 mt -123.65 110.15 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 CA-C-O 121.642 0.734 . . . . 0.46999999999999997 109.436 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.409 ' C ' ' CD ' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.14 20.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.605 -0.684 . . . . 2.1000000000000001 109.413 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.77 130.75 3.93 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.796 -1.321 . . . . 0.41999999999999998 109.796 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 335' ' ' ARG . 19.8 ttt-85 -78.94 -50.38 11.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -1.129 . . . . 2.6800000000000002 109.105 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.64 -45.07 85.92 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.335 -0.853 . . . . 2.2200000000000002 109.239 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.32 -41.09 98.88 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.298 -0.876 . . . . 2.77 109.447 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.22 -55.93 25.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 0.42999999999999999 109.944 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.75 -38.32 47.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 110.021 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.121 -0.987 . . . . 0.44 110.519 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.98 98.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.067 -1.021 . . . . 0.28999999999999998 109.295 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -51.48 -44.6 62.53 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.212 -0.93 . . . . 2.4399999999999999 109.567 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.39 -42.96 99.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 1.74 110.09 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.29 -39.75 91.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.09 -1.006 . . . . 0.29999999999999999 109.492 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -58.36 -52.71 64.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.242 -0.911 . . . . 1.22 109.824 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.72 -31.53 72.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 1.72 109.777 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.06 -56.26 24.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 0.27000000000000002 110.22 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.16 -39.75 91.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 0.28999999999999998 109.514 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.09 -41.78 88.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.302 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.4 tt -64.21 -42.6 96.54 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.391 -0.966 . . . . 0.40999999999999998 108.391 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.303 -0.999 . . . . 1.5600000000000001 108.303 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -32.47 67.27 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 109.094 -0.706 . . . . 1.4299999999999999 109.094 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -23.9 65.79 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.335 -0.853 . . . . 0.66000000000000003 109.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.27 -25.77 33.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 1.1799999999999999 109.218 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.77 -3.36 28.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.868 . . . . 1.23 109.496 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.65 -1.02 60.62 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.88 -1.288 . . . . 1.54 109.88 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.12 42.65 1.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -1.199 . . . . 4.1799999999999997 109.245 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.79 154.77 2.24 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.375 -0.828 . . . . 5.71 109.184 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.59 156.43 14.51 Favored 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.123 1.215 . . . . 5.6100000000000003 109.998 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 109.487 -1.445 . . . . 7.2400000000000002 109.487 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.486 -0.561 . . . . 7.3399999999999999 109.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 321' ' ' LYS . 68.0 mmtt 52.96 17.93 0.99 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.327 -0.858 . . . . 7.1699999999999999 109.557 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' B' ' 320' ' ' LYS . 51.3 mttp 59.59 147.67 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.72 -0.612 . . . . 6.4400000000000004 109.52 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' B' ' 321' ' ' LYS . 3.3 Cg_exo -56.27 -161.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 120.924 1.083 . . . . 4.54 110.086 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -80.26 120.39 24.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.858 . . . . 4.3200000000000003 109.381 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.68 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 2.4700000000000002 109.501 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.73 146.51 45.3 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.512 -1.435 . . . . 0.94999999999999996 109.512 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.43 125.3 23.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -1.09 . . . . 1.6100000000000001 109.717 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 39.5 m-85 -93.71 154.47 17.78 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.235 -0.916 . . . . 0.56999999999999995 109.344 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -138.89 -175.13 4.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.248 -0.907 . . . . 0.53000000000000003 109.512 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.91 148.25 28.89 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.639 -0.875 . . . . 0.38 108.639 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.16 133.26 27.85 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.264 -0.898 . . . . 0.35999999999999999 109.753 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -85.58 131.35 34.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.754 -0.832 . . . . 1.3600000000000001 108.754 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.5 mt -123.58 110.1 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.491 -0.755 . . . . 0.48999999999999999 109.52 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.411 ' C ' ' CD ' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -75.94 120.16 20.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.643 -0.66 . . . . 2.1000000000000001 109.414 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.8 130.63 3.91 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.823 -1.311 . . . . 0.44 109.823 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' B' ' 335' ' ' ARG . 20.0 ttt-85 -78.83 -50.33 11.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.298 -1.119 . . . . 2.7200000000000002 109.121 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.68 -45.1 86.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.872 . . . . 2.21 109.245 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.35 -40.94 98.67 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.302 -0.874 . . . . 2.79 109.394 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.25 -55.96 25.41 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.524 -0.735 . . . . 0.45000000000000001 109.96 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.69 -38.38 46.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.256 -0.903 . . . . 1.6799999999999999 110.038 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.19 -51.95 61.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.165 -0.959 . . . . 0.42999999999999999 110.46 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.94 98.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.049 -1.032 . . . . 0.28000000000000003 109.218 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.42 -44.74 62.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.244 -0.91 . . . . 2.52 109.575 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.23 -43.11 99.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.75 110.085 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.3 -39.64 91.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.31 109.482 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.45 -52.7 64.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.939 . . . . 1.21 109.729 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -31.53 72.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.6899999999999999 109.806 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.653 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.97 -56.42 22.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 0.27000000000000002 110.154 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.14 -39.77 91.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 109.47 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.02 -41.77 88.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.415 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.545 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.4 tt -64.21 -42.55 96.56 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.422 -0.955 . . . . 0.40000000000000002 108.422 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.36 -45.43 88.23 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.325 -0.991 . . . . 1.5900000000000001 108.325 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.66 -32.37 67.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.044 -0.724 . . . . 1.4299999999999999 109.044 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -23.89 65.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.297 -0.877 . . . . 0.65000000000000002 109.252 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.26 -25.72 33.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.88 . . . . 1.1899999999999999 109.302 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -3.45 28.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.312 -0.868 . . . . 1.22 109.561 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.6 -1.01 60.44 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.949 -1.26 . . . . 1.53 109.949 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.12 42.71 1.0 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.18 -1.188 . . . . 4.21 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 154.79 2.3 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.38 -0.825 . . . . 5.6799999999999997 109.165 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.51 156.39 14.41 Favored 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.147 1.231 . . . . 5.5700000000000003 109.968 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.452 -1.459 . . . . 7.2000000000000002 109.452 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.436 -0.579 . . . . 8.9600000000000009 109.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' C' ' 321' ' ' LYS . 68.0 mmtt 52.93 17.92 0.98 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.284 -0.885 . . . . 8.1500000000000004 109.554 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' C' ' 320' ' ' LYS . 51.3 mttp 59.59 147.63 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.797 -0.565 . . . . 7.1500000000000004 109.555 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' C' ' 321' ' ' LYS . 3.2 Cg_exo -56.29 -162.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 120.968 1.112 . . . . 4.3499999999999996 110.122 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.27 120.52 24.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.306 -0.871 . . . . 4.6299999999999999 109.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.71 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 2.8500000000000001 109.468 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.76 146.47 45.16 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.52 -1.432 . . . . 1.1200000000000001 109.52 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.36 125.2 22.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.369 -1.077 . . . . 2.1099999999999999 109.747 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 39.2 m-85 -93.59 154.45 17.84 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 109.334 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -138.93 -175.04 4.01 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.309 -0.87 . . . . 0.48999999999999999 109.535 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.88 148.38 29.06 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.638 -0.875 . . . . 0.46999999999999997 108.638 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.25 133.2 27.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.875 . . . . 0.41999999999999998 109.743 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.52 131.34 34.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.746 -0.835 . . . . 1.8100000000000001 108.746 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.59 110.15 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.366 -0.834 . . . . 0.41999999999999998 109.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.403 ' C ' ' CD ' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -75.96 120.16 20.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.612 -0.68 . . . . 2.3500000000000001 109.429 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.82 130.72 3.92 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.758 -1.337 . . . . 0.40999999999999998 109.758 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' C' ' 335' ' ' ARG . 19.9 ttt-85 -78.88 -50.28 11.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.364 -1.08 . . . . 2.5899999999999999 109.09 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.78 -45.1 86.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.309 -0.869 . . . . 2.54 109.153 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.355 -0.841 . . . . 3.3900000000000001 109.475 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.26 -55.92 25.88 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.536 -0.728 . . . . 0.46999999999999997 109.959 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.82 -38.23 47.5 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.247 -0.908 . . . . 1.6599999999999999 110.063 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -64.25 -51.87 61.5 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.15 -0.969 . . . . 0.60999999999999999 110.473 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.06 -43.89 98.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.075 -1.015 . . . . 0.33000000000000002 109.307 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.58 -44.6 62.83 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.127 -0.983 . . . . 3.2799999999999998 109.593 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.33 -42.97 99.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.78 110.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.24 -39.79 91.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.132 -0.98 . . . . 0.38 109.507 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.35 -52.71 64.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 1.2 109.754 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -31.45 72.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.224 -0.923 . . . . 2.1200000000000001 109.786 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.04 -56.32 23.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.89 . . . . 0.26000000000000001 110.2 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.14 -39.72 91.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.976 . . . . 0.40000000000000002 109.551 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.16 -41.73 89.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 109.341 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.533 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -64.24 -42.49 96.5 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.397 -0.964 . . . . 0.75 108.397 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.39 -45.48 88.26 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.309 -0.997 . . . . 2.1899999999999999 108.309 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.54 -32.51 67.17 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.068 -0.716 . . . . 1.3400000000000001 109.068 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.99 65.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.371 -0.831 . . . . 0.71999999999999997 109.253 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.21 -25.77 33.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.359 -0.838 . . . . 1.8 109.287 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -3.38 28.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 1.3899999999999999 109.544 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.73 -0.93 60.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.902 -1.279 . . . . 1.6599999999999999 109.902 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.11 42.71 1.0 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.148 -1.207 . . . . 4.4500000000000002 109.208 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.89 154.75 2.31 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 6.1900000000000004 109.204 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.44 156.47 13.98 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 121.091 1.194 . . . . 5.5800000000000001 109.958 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 118.011 -1.439 . . . . 6.9000000000000004 109.511 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.454 -0.573 . . . . 7.3600000000000003 109.454 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' D' ' 321' ' ' LYS . 68.1 mmtt 53.01 17.87 0.99 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.231 -0.918 . . . . 7.1500000000000004 109.551 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' D' ' 320' ' ' LYS . 51.4 mttp 59.56 147.59 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 O-C-N 121.777 -0.577 . . . . 6.5 109.535 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' D' ' 321' ' ' LYS . 3.3 Cg_exo -56.2 -162.07 0.01 OUTLIER 'Trans proline' 0 C--O 1.215 -0.66 0 C-N-CA 120.88 1.054 . . . . 4.5 110.068 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -80.2 120.46 24.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 4.3200000000000003 109.434 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -79.71 -93.3 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 2.46 109.458 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.74 146.46 45.18 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.489 -1.445 . . . . 0.96999999999999997 109.489 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.39 125.32 23.23 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -1.088 . . . . 1.6699999999999999 109.694 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 39.1 m-85 -93.69 154.42 17.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.273 -0.892 . . . . 0.60999999999999999 109.241 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -138.86 -175.09 4.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.56000000000000005 109.595 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.4 p -149.92 148.28 28.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.42999999999999999 108.698 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 48.6 tp -141.2 133.17 27.63 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.294 -0.879 . . . . 0.34999999999999998 109.772 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -85.44 131.29 34.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.792 -0.818 . . . . 1.3700000000000001 108.792 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.63 110.02 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.472 -0.768 . . . . 0.47999999999999998 109.513 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.41 ' C ' ' CD ' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -75.88 120.16 20.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.651 -0.656 . . . . 2.0800000000000001 109.467 179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.87 130.69 3.91 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 109.765 -1.334 . . . . 0.40000000000000002 109.765 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' D' ' 335' ' ' ARG . 19.6 ttt-85 -78.96 -50.28 11.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.354 -1.086 . . . . 2.6400000000000001 109.114 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.61 -45.27 85.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.822 . . . . 2.2200000000000002 109.173 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -63.24 -40.97 98.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.372 -0.83 . . . . 2.7400000000000002 109.499 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.23 -55.96 25.35 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.411 -0.805 . . . . 0.42999999999999999 109.929 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -50.74 -38.4 47.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.6899999999999999 110.047 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -64.16 -51.81 62.04 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.224 -0.923 . . . . 0.42999999999999999 110.526 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.27000000000000002 109.279 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.54 -44.7 62.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.211 -0.931 . . . . 2.4500000000000002 109.562 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.35 -42.88 99.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 1.75 110.139 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.28 -39.7 91.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.16 -0.963 . . . . 0.31 109.539 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.37 -52.8 64.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.188 -0.945 . . . . 1.22 109.71 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.65 -31.55 72.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.73 109.823 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.99 -56.42 22.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 0.28000000000000003 110.145 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.08 -39.79 91.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.31 109.473 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.14 -41.66 88.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.339 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.547 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.4 tt -64.25 -42.59 96.42 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.419 -0.956 . . . . 0.42999999999999999 108.419 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.28 -45.51 87.77 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.289 -1.004 . . . . 1.5700000000000001 108.289 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.63 -32.45 67.27 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.055 -0.72 . . . . 1.4399999999999999 109.055 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.95 65.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.64000000000000001 109.299 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.14 -25.81 34.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 1.21 109.324 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.73 -3.41 28.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 1.22 109.539 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.69 -0.94 60.53 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.96 -1.256 . . . . 1.5 109.96 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -86.17 42.76 1.01 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.129 -1.218 . . . . 4.1799999999999997 109.226 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' D' ' 358' ' ' GLU . 1.7 pt-20 -50.92 154.86 2.27 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.385 -0.822 . . . . 5.6699999999999999 109.187 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -54.56 156.43 14.42 Favored 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 121.171 1.247 . . . . 5.6500000000000004 109.941 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.991 -1.45 . . . . 7.2699999999999996 109.478 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 320' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.421 -0.585 . . . . 7.3300000000000001 109.421 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 319' ' ' LYS . 6.2 ptmm? 35.41 69.94 0.16 Allowed 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.194 0.521 . . . . 7.21 110.999 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 323' ' ' LEU . 38.0 mtmt 53.55 77.16 0.46 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.16 -0.962 . . . . 6.4699999999999998 109.58 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.75 5.29 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.918 0 C-N-CA 121.284 1.323 . . . . 4.5300000000000002 110.228 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 321' ' ' LYS . 40.7 mt -80.45 113.33 18.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.051 -1.03 . . . . 4.3499999999999996 109.074 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.82 -122.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.251 -0.906 . . . . 2.48 109.856 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.98 158.59 51.71 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.786 -1.326 . . . . 0.97999999999999998 109.786 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.03 135.18 57.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.353 -1.086 . . . . 1.7 109.453 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.92 152.88 17.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.254 -0.904 . . . . 0.60999999999999999 109.745 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.06 -166.78 1.75 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.533 -0.729 . . . . 0.57999999999999996 109.251 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -151.94 145.69 25.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.939 . . . . 0.41999999999999998 108.896 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.49 137.43 33.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.363 -0.836 . . . . 0.35999999999999999 109.847 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.01 133.52 33.91 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.909 -0.775 . . . . 1.3700000000000001 108.909 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.36 117.25 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.461 -0.774 . . . . 0.46999999999999997 109.365 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -75.11 151.53 38.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.641 -0.662 . . . . 2.1000000000000001 109.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.91 142.83 4.02 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.49 -1.044 . . . . 0.41999999999999998 110.49 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.35 -48.95 11.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -1.052 . . . . 2.6800000000000002 109.03 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.37 -37.86 73.31 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.853 . . . . 2.2200000000000002 108.749 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.608 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.15 -43.87 87.57 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.377 -0.827 . . . . 2.77 109.03 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.03 -57.39 12.33 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.642 -0.661 . . . . 0.42999999999999999 109.792 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.58 -39.75 58.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.327 -0.858 . . . . 1.6599999999999999 109.928 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.51 -52.54 60.79 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.146 -0.971 . . . . 0.44 110.184 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.95 -46.07 90.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.14 -0.975 . . . . 0.28999999999999998 109.13 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.81 -41.43 57.36 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.195 -0.941 . . . . 2.4399999999999999 109.414 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.96 -54.04 50.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.932 . . . . 1.74 109.753 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.0 -38.68 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.172 -0.955 . . . . 0.29999999999999999 108.663 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.24 -55.62 32.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.7 . . . . 1.22 109.474 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.7 -33.67 75.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 1.72 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -51.55 69.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.381 -0.824 . . . . 0.27000000000000002 109.541 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.87 -45.65 92.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.28999999999999998 109.13 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.52 -35.99 73.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 1.9099999999999999 109.175 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.85 75.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 0.40999999999999998 109.198 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.8 -44.4 96.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.37 -0.831 . . . . 1.5600000000000001 108.769 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -56.78 -32.89 66.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.614 -0.679 . . . . 1.4299999999999999 109.573 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.24 79.25 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.66000000000000003 109.639 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -80.66 1.58 29.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 1.1799999999999999 109.695 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -61.87 1.61 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 1.23 109.191 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.21 79.62 0.76 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.378 -1.489 . . . . 1.54 109.378 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -86.68 -90.49 0.11 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.257 -1.143 . . . . 4.1799999999999997 109.246 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -49.12 148.98 3.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 5.71 109.226 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -55.47 -166.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.659 0 C-N-CA 121.079 1.186 . . . . 5.6100000000000003 110.072 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 118.001 -1.444 . . . . 7.2400000000000002 109.501 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' B' ' 320' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.436 -0.579 . . . . 7.3399999999999999 109.436 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 319' ' ' LYS . 6.2 ptmm? 35.45 69.93 0.16 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.235 0.541 . . . . 7.1699999999999999 111.021 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' B' ' 323' ' ' LEU . 37.9 mtmt 53.48 77.22 0.46 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 6.4400000000000004 109.564 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.72 5.35 0.27 Allowed 'Trans proline' 0 C--N 1.321 -0.885 0 C-N-CA 121.322 1.348 . . . . 4.54 110.202 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' B' ' 321' ' ' LYS . 41.1 mt -80.53 113.26 18.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.058 -1.026 . . . . 4.3200000000000003 109.012 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.81 -122.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 2.4700000000000002 109.875 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.58 158.54 51.18 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.804 -1.318 . . . . 0.94999999999999996 109.804 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.1 135.2 57.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.342 -1.093 . . . . 1.6100000000000001 109.453 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -94.89 152.83 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -0.872 . . . . 0.56999999999999995 109.709 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.0 -166.8 1.75 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.589 -0.694 . . . . 0.53000000000000003 109.24 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.92 145.59 24.99 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.192 -0.942 . . . . 0.38 108.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -140.42 137.46 33.99 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.402 -0.811 . . . . 0.35999999999999999 109.846 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.0 133.54 33.91 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.912 -0.773 . . . . 1.3600000000000001 108.912 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.42 117.24 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.433 -0.792 . . . . 0.48999999999999999 109.371 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.55 38.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.636 -0.665 . . . . 2.1000000000000001 109.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.86 4.0 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.458 -1.057 . . . . 0.44 110.458 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.31 -48.94 11.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.422 -1.046 . . . . 2.7200000000000002 109.096 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.4 -37.87 73.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.885 . . . . 2.21 108.763 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.609 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.08 -43.9 87.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.336 -0.852 . . . . 2.79 109.097 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -56.17 -57.31 12.72 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.748 -0.595 . . . . 0.45000000000000001 109.804 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -51.44 -39.88 58.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 1.6799999999999999 109.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.48 -52.48 61.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.132 -0.98 . . . . 0.42999999999999999 110.217 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.94 -46.19 90.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.095 -1.003 . . . . 0.28000000000000003 109.093 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.72 -41.43 56.24 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.211 -0.931 . . . . 2.52 109.496 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.97 -54.03 50.92 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.237 -0.914 . . . . 1.75 109.779 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.93 -38.85 83.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.163 -0.961 . . . . 0.31 108.642 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.22 -55.59 32.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.562 -0.711 . . . . 1.21 109.443 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.61 -33.78 75.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.433 -0.792 . . . . 1.6899999999999999 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.406 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.81 -51.58 69.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.313 -0.867 . . . . 0.27000000000000002 109.592 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.79 -45.7 92.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.29999999999999999 109.117 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.47 -36.0 73.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.365 -0.834 . . . . 1.9299999999999999 109.193 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 21.5 tp -63.61 -48.89 75.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.397 -0.814 . . . . 0.40000000000000002 109.162 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.393 -0.817 . . . . 1.5900000000000001 108.837 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.67 -32.93 65.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.63 -0.668 . . . . 1.4299999999999999 109.554 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.23 79.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.65000000000000002 109.594 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.71 1.61 29.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 1.1899999999999999 109.645 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.77 -61.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 1.22 109.272 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.24 79.58 0.76 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 1.53 109.458 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -86.62 -90.51 0.11 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -1.14 . . . . 4.21 109.252 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -49.06 149.01 3.63 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.938 . . . . 5.6799999999999997 109.177 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.54 -166.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 121.013 1.142 . . . . 5.5700000000000003 110.156 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.48 -1.448 . . . . 7.2000000000000002 109.48 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' C' ' 320' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.386 -0.598 . . . . 8.9600000000000009 109.386 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' C' ' 319' ' ' LYS . 6.2 ptmm? 35.44 69.93 0.16 Allowed 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.184 0.516 . . . . 8.1500000000000004 111.032 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' C' ' 323' ' ' LEU . 37.9 mtmt 53.5 77.13 0.46 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 7.1500000000000004 109.616 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.61 5.18 0.28 Allowed 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.36 1.373 . . . . 4.3499999999999996 110.252 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' C' ' 321' ' ' LYS . 41.3 mt -80.45 113.38 18.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.97 -1.082 . . . . 4.6299999999999999 109.011 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -79.87 -122.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.222 -0.923 . . . . 2.8500000000000001 109.837 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 158.48 51.64 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.814 -1.315 . . . . 1.1200000000000001 109.814 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.95 135.24 57.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.387 -1.067 . . . . 2.1099999999999999 109.441 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.86 152.84 18.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.28 -0.888 . . . . 0.64000000000000001 109.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -131.08 -166.78 1.75 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.589 -0.694 . . . . 0.48999999999999999 109.156 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -151.96 145.58 24.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.205 -0.934 . . . . 0.46999999999999997 108.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -140.4 137.58 34.12 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.442 -0.786 . . . . 0.41999999999999998 109.857 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -86.11 133.5 33.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.814 -0.81 . . . . 1.8100000000000001 108.814 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -123.42 117.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 121.492 -0.755 . . . . 0.41999999999999998 109.396 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -75.18 151.57 38.49 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.396 0.617 . . . . 2.3500000000000001 109.802 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.92 142.83 4.03 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.466 -1.053 . . . . 0.40999999999999998 110.466 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -81.2 -49.06 11.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.465 -1.02 . . . . 2.5899999999999999 109.087 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.38 -37.85 73.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.24 -0.913 . . . . 2.54 108.752 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.607 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.14 -43.83 87.53 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.394 -0.816 . . . . 3.3900000000000001 109.076 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.2 -57.27 12.9 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.749 -0.594 . . . . 0.46999999999999997 109.801 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -51.52 -39.84 58.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.942 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.56 -52.45 61.0 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.215 -0.928 . . . . 0.60999999999999999 110.234 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -62.0 -46.05 90.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.067 -1.021 . . . . 0.33000000000000002 109.117 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -50.79 -41.41 57.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.174 -0.953 . . . . 3.2799999999999998 109.416 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.03 -53.96 51.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 1.78 109.777 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.07 -38.7 83.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.38 108.613 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.3 -55.61 32.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.51 -0.744 . . . . 1.2 109.447 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -62.51 -33.88 75.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 2.1200000000000001 109.361 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.84 -51.54 69.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.26000000000000001 109.504 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.89 -45.62 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.246 -0.909 . . . . 0.40000000000000002 109.061 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -58.59 -35.92 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 2.0899999999999999 109.174 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 21.3 tp -63.61 -48.9 75.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.386 -0.821 . . . . 0.75 109.228 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.439 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 14.9 ttmm -62.79 -44.4 96.29 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.35 -0.844 . . . . 2.1899999999999999 108.812 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.77 -32.87 66.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.69 -0.631 . . . . 1.3400000000000001 109.537 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.17 79.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.71999999999999997 109.672 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -80.75 1.67 29.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -0.901 . . . . 1.8 109.649 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.87 1.61 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.18 -0.95 . . . . 1.3899999999999999 109.22 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.18 79.58 0.76 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.391 -1.483 . . . . 1.6599999999999999 109.391 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -86.61 -90.52 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -1.152 . . . . 4.4500000000000002 109.254 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -49.16 148.95 3.84 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 109.193 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -55.45 -166.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.647 0 C-N-CA 121.063 1.176 . . . . 5.5800000000000001 110.072 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.403 -1.479 . . . . 6.9000000000000004 109.403 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' D' ' 320' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.45 -0.574 . . . . 7.3600000000000003 109.45 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' D' ' 319' ' ' LYS . 6.2 ptmm? 35.49 69.88 0.16 Allowed 'General case' 0 N--CA 1.501 2.123 0 CA-C-O 121.209 0.528 . . . . 7.1500000000000004 110.981 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' D' ' 323' ' ' LEU . 37.9 mtmt 53.57 77.13 0.46 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 6.5 109.56 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.69 5.27 0.28 Allowed 'Trans proline' 0 C--N 1.32 -0.956 0 C-N-CA 121.305 1.337 . . . . 4.5 110.234 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' D' ' 321' ' ' LYS . 41.3 mt -80.45 113.38 18.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.042 -1.036 . . . . 4.3200000000000003 109.003 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.89 -122.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 2.46 109.794 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.85 158.56 51.55 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.831 -1.308 . . . . 0.96999999999999997 109.831 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.03 135.21 57.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.38 -1.07 . . . . 1.6699999999999999 109.451 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -95.0 152.71 18.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.233 -0.917 . . . . 0.60999999999999999 109.653 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -130.9 -166.73 1.73 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.701 . . . . 0.56000000000000005 109.276 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -151.95 145.67 25.04 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.144 -0.973 . . . . 0.42999999999999999 108.837 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.5 tp -140.47 137.47 33.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.395 -0.816 . . . . 0.34999999999999998 109.855 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -86.05 133.51 33.89 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.6 mt -123.36 117.18 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.485 -0.759 . . . . 0.47999999999999998 109.419 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -75.15 151.6 38.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.666 -0.646 . . . . 2.0800000000000001 109.842 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.86 142.79 3.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.536 -1.026 . . . . 0.40000000000000002 110.536 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -81.21 -48.99 11.33 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -1.051 . . . . 2.6400000000000001 109.124 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.34 -37.88 73.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -0.888 . . . . 2.2200000000000002 108.751 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.609 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.24 -43.78 87.94 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.31 -0.869 . . . . 2.7400000000000002 109.048 179.525 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.16 -57.36 12.53 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.347 0.594 . . . . 0.42999999999999999 109.769 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.49 -39.83 58.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.301 -0.874 . . . . 1.6899999999999999 109.97 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.47 -52.54 60.93 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.16 -0.962 . . . . 0.42999999999999999 110.222 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.91 -46.21 90.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.022 -1.048 . . . . 0.27000000000000002 109.095 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -50.71 -41.45 56.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.201 -0.937 . . . . 2.4500000000000002 109.444 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -59.98 -54.04 50.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.255 -0.903 . . . . 1.75 109.73 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.99 -38.73 83.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.31 108.61 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.26 -55.66 32.01 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.527 -0.733 . . . . 1.22 109.393 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.439 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 45.0 tt0 -62.69 -33.65 75.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 1.73 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -51.55 69.55 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.349 -0.844 . . . . 0.28000000000000003 109.593 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.402 HD13 ' HE ' ' B' ' 337' ' ' ARG . 50.5 mt -61.92 -45.65 92.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.31 109.061 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -58.47 -35.96 72.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.297 -0.877 . . . . 1.9099999999999999 109.219 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.63 -48.85 75.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.41 -0.806 . . . . 0.42999999999999999 109.222 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -62.82 -44.4 96.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.413 -0.804 . . . . 1.5700000000000001 108.839 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -56.68 -32.96 65.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.713 -0.617 . . . . 1.4399999999999999 109.531 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.18 79.4 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.629 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -80.74 1.63 29.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 1.21 109.632 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.83 -61.9 1.6 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.166 -0.959 . . . . 1.22 109.191 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.08 79.54 0.74 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.453 -1.459 . . . . 1.5 109.453 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -86.65 -90.45 0.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.281 -1.129 . . . . 4.1799999999999997 109.341 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -49.14 148.94 3.82 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 5.6699999999999999 109.203 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -55.51 -166.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 120.975 1.117 . . . . 5.6500000000000004 110.118 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.429 -1.468 . . . . 7.2699999999999996 109.429 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.464 -0.569 . . . . 7.3300000000000001 109.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 57.45 68.38 0.86 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 7.21 109.705 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 323' ' ' LEU . 59.8 mttp 52.76 71.85 1.33 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 6.4699999999999998 109.795 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.24 24.67 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 121.69 1.594 . . . . 4.5300000000000002 110.332 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.7 mt -80.46 109.74 15.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.976 -1.077 . . . . 4.3499999999999996 109.237 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.56 108.51 15.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.25 -0.907 . . . . 2.48 109.89 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.69 155.06 52.76 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.452 . . . . 0.97999999999999998 109.469 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.82 124.54 20.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.17 -1.194 . . . . 1.7 109.654 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.539 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 65.7 m-85 -98.26 153.32 18.58 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.207 -0.933 . . . . 0.60999999999999999 109.949 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -141.2 139.0 33.75 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.705 -0.85 . . . . 0.57999999999999996 108.705 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -98.98 161.58 13.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.438 -0.789 . . . . 0.41999999999999998 109.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.09 132.76 17.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.063 -1.023 . . . . 0.35999999999999999 110.157 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -85.67 127.16 34.42 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.722 -0.844 . . . . 1.3700000000000001 108.722 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.65 109.29 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.474 -0.766 . . . . 0.46999999999999997 109.391 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.53 152.2 39.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.397 -0.814 . . . . 2.1000000000000001 109.518 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.8 130.2 4.9 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.954 -1.258 . . . . 0.41999999999999998 109.954 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.491 ' NH1' ' OE2' ' A' ' 339' ' ' GLU . 1.3 tmt_? -73.7 -48.69 30.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.43 -1.041 . . . . 2.6800000000000002 109.458 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 2.2200000000000002 109.21 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.571 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -55.59 -42.57 74.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.364 -0.835 . . . . 2.77 109.922 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -54.53 -57.95 9.39 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.569 -0.707 . . . . 0.42999999999999999 110.128 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.491 ' OE2' ' NH1' ' A' ' 335' ' ' ARG . 44.7 mt-10 -50.44 -41.37 52.57 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.283 -0.886 . . . . 1.6599999999999999 110.093 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.22 48.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 0.44 110.737 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.01 -47.91 82.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.952 -1.093 . . . . 0.28999999999999998 109.12 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.61 -43.33 62.49 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.215 -0.928 . . . . 2.4399999999999999 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.66 -43.95 97.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.121 -0.987 . . . . 1.74 109.963 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.29 -43.94 98.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.132 -0.98 . . . . 0.29999999999999999 109.443 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -58.78 -49.36 77.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.198 -0.939 . . . . 1.22 109.673 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.73 98.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.875 . . . . 1.72 110.1 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.82 -56.26 24.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.27000000000000002 109.986 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.09 -42.18 98.03 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.28999999999999998 109.531 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.51 -34.17 73.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.482 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.27 -50.26 68.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 0.40999999999999998 109.395 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -63.0 -45.96 89.92 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.342 -0.849 . . . . 1.5600000000000001 108.971 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -57.62 -38.11 74.42 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.631 -0.668 . . . . 1.4299999999999999 109.755 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.65 71.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.66000000000000003 109.922 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.22 -1.16 43.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.37 -0.831 . . . . 1.1799999999999999 109.8 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -2.93 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 1.23 109.641 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.1 -0.15 89.53 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.651 -1.38 . . . . 1.54 109.651 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.46 6.81 25.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.226 -1.161 . . . . 4.1799999999999997 109.688 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' A' ' 360' ' ' GLY . 14.3 pt-20 -51.35 151.17 5.49 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 5.71 108.954 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.65 3.12 0.16 Allowed 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 121.008 1.139 . . . . 5.6100000000000003 110.322 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 117.921 -1.488 . . . . 7.2400000000000002 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.307 0.575 . . . . 7.3399999999999999 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.53 68.36 0.86 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 7.1699999999999999 109.672 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' B' ' 323' ' ' LEU . 59.8 mttp 52.78 71.77 1.35 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.896 . . . . 6.4400000000000004 109.763 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.12 24.59 0.11 Allowed 'Trans proline' 0 C--N 1.316 -1.148 0 C-N-CA 121.69 1.593 . . . . 4.54 110.361 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.7 mt -80.44 109.79 15.28 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.955 -1.09 . . . . 4.3200000000000003 109.291 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.53 109.04 15.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 2.4700000000000002 109.825 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.532 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.58 154.96 51.91 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.376 -1.49 . . . . 0.94999999999999996 109.376 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.55 124.54 20.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -1.212 . . . . 1.6100000000000001 109.676 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 66.5 m-85 -98.33 153.34 18.61 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.179 -0.951 . . . . 0.56999999999999995 109.919 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -141.17 139.05 33.81 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.756 -0.831 . . . . 0.53000000000000003 108.756 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -99.1 161.51 13.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.408 -0.808 . . . . 0.38 109.046 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 42.7 tp -148.0 132.85 18.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.35999999999999999 110.106 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.76 127.12 34.46 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.644 -0.873 . . . . 1.3600000000000001 108.644 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.7 109.48 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.507 -0.746 . . . . 0.48999999999999999 109.363 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.59 152.17 39.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.389 -0.819 . . . . 2.1000000000000001 109.536 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.76 130.35 4.93 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.928 -1.269 . . . . 0.44 109.928 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.495 ' NH1' ' OE2' ' B' ' 339' ' ' GLU . 1.3 tmt_? -73.82 -48.66 29.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -1.121 . . . . 2.7200000000000002 109.418 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.29 -41.65 80.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 2.21 109.203 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -55.51 -42.7 74.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.477 -0.764 . . . . 2.79 109.832 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.51 -57.89 9.61 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.525 -0.734 . . . . 0.45000000000000001 110.096 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.495 ' OE2' ' NH1' ' B' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.32 53.49 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.293 -0.879 . . . . 1.6799999999999999 110.01 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.17 -53.26 47.65 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.163 -0.96 . . . . 0.42999999999999999 110.7 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.97 -47.89 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.056 -1.028 . . . . 0.28000000000000003 109.108 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.68 -43.27 62.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.271 -0.893 . . . . 2.52 109.5 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.79 -43.85 97.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.991 . . . . 1.75 109.903 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.36 -43.8 98.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 0.31 109.483 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.96 -49.25 78.58 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.297 -0.877 . . . . 1.21 109.579 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.21 -40.88 98.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 110.049 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.75 -56.23 24.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.27000000000000002 110.016 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.13 -42.21 98.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.286 -0.884 . . . . 0.29999999999999999 109.48 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.43 -34.24 73.68 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.23 -0.919 . . . . 1.9299999999999999 109.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.26 -50.22 68.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.248 -0.907 . . . . 0.40000000000000002 109.408 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.0 -45.94 90.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.289 -0.882 . . . . 1.5900000000000001 108.987 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -57.6 -38.11 74.35 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.751 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.54 71.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.65000000000000002 109.9 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.33 -1.16 44.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 1.1899999999999999 109.74 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -2.98 15.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 1.22 109.593 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.03 -0.18 89.58 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.636 -1.386 . . . . 1.53 109.636 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.43 6.81 25.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.222 -1.164 . . . . 4.21 109.724 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 360' ' ' GLY . 14.3 pt-20 -51.3 151.21 5.36 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 5.6799999999999997 108.956 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.63 2.98 0.16 Allowed 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.046 1.164 . . . . 5.5700000000000003 110.266 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.94 -1.478 . . . . 7.2000000000000002 109.523 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.455 -0.572 . . . . 8.9600000000000009 109.455 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.38 68.36 0.86 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.304 -0.872 . . . . 8.1500000000000004 109.79 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' C' ' 323' ' ' LEU . 59.8 mttp 52.76 71.9 1.32 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 7.1500000000000004 109.766 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.27 24.67 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 C-N-CA 121.725 1.616 . . . . 4.3499999999999996 110.264 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.7 mt -80.4 109.69 15.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 4.6299999999999999 109.31 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.56 108.81 15.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.186 -0.946 . . . . 2.8500000000000001 109.925 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.536 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.1 155.08 52.51 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.441 -1.464 . . . . 1.1200000000000001 109.441 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.77 124.61 20.93 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -1.199 . . . . 2.1099999999999999 109.634 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 66.3 m-85 -98.28 153.24 18.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.176 -0.953 . . . . 0.64000000000000001 109.928 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -141.14 139.15 33.88 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.725 -0.843 . . . . 0.48999999999999999 108.725 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -99.03 161.66 13.5 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.46 -0.775 . . . . 0.46999999999999997 108.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -148.08 132.82 17.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.114 -0.991 . . . . 0.41999999999999998 110.113 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.66 127.11 34.4 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.732 -0.84 . . . . 1.8100000000000001 108.732 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.64 109.42 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.456 -0.778 . . . . 0.41999999999999998 109.352 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 2.3500000000000001 109.531 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.71 130.32 4.91 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.951 -1.26 . . . . 0.40999999999999998 109.951 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' C' ' 339' ' ' GLU . 1.3 tmt_? -73.85 -48.67 29.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.343 -1.092 . . . . 2.5899999999999999 109.434 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.28 -41.54 79.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 2.54 109.202 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.577 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -55.68 -42.59 75.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.389 -0.82 . . . . 3.3900000000000001 109.897 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -54.54 -57.85 9.76 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.469 -0.769 . . . . 0.46999999999999997 110.162 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' C' ' 335' ' ' ARG . 44.7 mt-10 -50.49 -41.41 53.23 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.292 -0.88 . . . . 1.6599999999999999 110.043 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.1 -53.3 47.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.174 -0.954 . . . . 0.60999999999999999 110.677 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.91 -47.92 82.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.98 -1.075 . . . . 0.33000000000000002 109.098 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.69 -43.23 62.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.885 . . . . 3.2799999999999998 109.572 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.8 -43.78 97.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 1.78 109.959 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.42 -43.8 98.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.38 109.486 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.87 -49.35 78.09 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.265 -0.897 . . . . 1.2 109.585 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.22 -40.77 98.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.885 . . . . 2.1200000000000001 110.048 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.89 -56.14 25.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.298 -0.876 . . . . 0.26000000000000001 110.029 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.408 HD13 ' HE ' ' A' ' 337' ' ' ARG . 29.3 mt -61.17 -42.09 97.95 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.40000000000000002 109.524 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -60.6 -34.1 73.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.171 -0.955 . . . . 2.0899999999999999 109.475 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.3 -50.32 68.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.75 109.351 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.92 -46.02 89.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.33 -0.856 . . . . 2.1899999999999999 109.025 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -57.54 -38.03 74.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.838 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.63 71.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 0.71999999999999997 109.866 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' D' ' 354' ' ' GLN . 22.3 mt-30 -81.22 -1.16 43.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.252 -0.905 . . . . 1.8 109.84 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.94 15.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.154 -0.966 . . . . 1.3899999999999999 109.661 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.1 -0.11 89.52 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.656 -1.378 . . . . 1.6599999999999999 109.656 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -85.5 6.79 25.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.168 -1.196 . . . . 4.4500000000000002 109.66 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' C' ' 360' ' ' GLY . 14.4 pt-20 -51.32 151.24 5.38 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.96 . . . . 6.1900000000000004 108.961 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.62 2.96 0.16 Allowed 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.075 1.183 . . . . 5.5800000000000001 110.258 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.953 -1.471 . . . . 6.9000000000000004 109.536 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.478 -0.564 . . . . 7.3600000000000003 109.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 79.1 tttt 57.48 68.41 0.85 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.338 -0.852 . . . . 7.1500000000000004 109.671 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' D' ' 323' ' ' LEU . 59.8 mttp 52.74 71.8 1.35 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 6.5 109.794 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.2 24.64 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 121.647 1.565 . . . . 4.5 110.346 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.7 mt -80.38 109.67 15.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.973 -1.079 . . . . 4.3200000000000003 109.386 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.46 108.81 15.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 2.46 109.879 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.19 155.12 52.43 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.391 -1.484 . . . . 0.96999999999999997 109.391 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.83 124.56 20.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.126 -1.22 . . . . 1.6699999999999999 109.627 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 65.9 m-85 -98.28 153.26 18.64 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.236 -0.915 . . . . 0.60999999999999999 109.95 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.1 139.17 33.95 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.666 -0.864 . . . . 0.56000000000000005 108.666 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -99.09 161.59 13.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.387 -0.821 . . . . 0.42999999999999999 108.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -148.04 132.84 17.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.062 -1.024 . . . . 0.34999999999999998 110.159 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -85.75 127.15 34.46 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.672 -0.862 . . . . 1.3700000000000001 108.672 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.55 109.43 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.432 -0.792 . . . . 0.47999999999999998 109.367 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -74.6 152.12 39.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.8 . . . . 2.0800000000000001 109.539 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.85 130.3 4.95 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.889 -1.284 . . . . 0.40000000000000002 109.889 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.494 ' NH1' ' OE2' ' D' ' 339' ' ' GLU . 1.3 tmt_? -73.89 -48.66 29.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -1.066 . . . . 2.6400000000000001 109.424 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -57.3 -41.63 80.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.127 -0.983 . . . . 2.2200000000000002 109.212 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -55.58 -42.62 75.01 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.497 -0.752 . . . . 2.7400000000000002 109.916 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -54.49 -57.91 9.53 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.543 -0.723 . . . . 0.42999999999999999 110.113 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.494 ' OE2' ' NH1' ' D' ' 335' ' ' ARG . 44.7 mt-10 -50.52 -41.36 53.55 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.36 -0.837 . . . . 1.6899999999999999 110.005 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -65.11 -53.16 49.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.069 -1.019 . . . . 0.42999999999999999 110.783 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.09 -47.77 83.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.051 -1.031 . . . . 0.27000000000000002 109.069 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -51.76 -43.31 62.92 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.363 -0.835 . . . . 2.4500000000000002 109.511 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.62 -44.03 96.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 1.75 109.973 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.177 -0.952 . . . . 0.31 109.511 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.85 -49.42 77.8 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.22 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.18 -40.72 98.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.873 . . . . 1.73 110.118 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.91 -56.18 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.236 -0.915 . . . . 0.28000000000000003 109.962 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.31 109.49 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.33 -34.3 73.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 1.9099999999999999 109.498 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.19 -50.27 68.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.389 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -63.02 -45.91 90.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.374 -0.829 . . . . 1.5700000000000001 109.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -57.62 -38.0 74.23 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.636 -0.665 . . . . 1.4399999999999999 109.852 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.58 71.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.64000000000000001 109.86 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' C' ' 354' ' ' GLN . 22.4 mt-30 -81.27 -1.2 44.09 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.21 109.806 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -2.86 15.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 1.22 109.626 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.08 -0.16 89.55 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.657 -1.377 . . . . 1.5 109.657 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -85.45 6.71 25.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.146 -1.208 . . . . 4.1799999999999997 109.67 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' D' ' 360' ' ' GLY . 14.4 pt-20 -51.33 151.16 5.45 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 5.6699999999999999 108.935 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.59 3.04 0.16 Allowed 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 121.101 1.201 . . . . 5.6500000000000004 110.256 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.892 -1.504 . . . . 7.2699999999999996 109.522 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.453 -0.573 . . . . 7.3300000000000001 109.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 321' ' ' LYS . 41.0 tttp 70.05 -66.04 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.71 -0.619 . . . . 7.21 109.995 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 320' ' ' LYS . 4.7 mtpm? 60.77 146.59 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.847 0 N-CA-C 109.207 -0.664 . . . . 6.4699999999999998 109.207 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.05 -85.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 121.103 1.202 . . . . 4.5300000000000002 110.551 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.4 mt -81.38 113.93 19.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.175 -0.953 . . . . 4.3499999999999996 110.291 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.2 -152.98 0.11 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.896 . . . . 2.48 109.246 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.16 156.65 53.43 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.794 -1.322 . . . . 0.97999999999999998 109.794 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.04 133.06 55.69 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.217 -1.166 . . . . 1.7 109.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -97.12 158.75 15.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.332 -0.855 . . . . 0.60999999999999999 109.574 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.07 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.384 -0.823 . . . . 0.57999999999999996 109.112 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.68 150.07 29.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.14 -0.975 . . . . 0.41999999999999998 109.371 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.9 tp -142.18 133.47 26.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.35999999999999999 109.634 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.15 131.83 34.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.974 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.54 114.48 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 121.477 -0.764 . . . . 0.46999999999999997 109.098 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.88 150.53 39.15 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.056 -0.72 . . . . 2.1000000000000001 109.056 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 88.55 126.74 2.69 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.28 -1.128 . . . . 0.41999999999999998 110.28 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.523 ' CG ' HH11 ' A' ' 335' ' ' ARG . 1.2 ttt-85 -71.89 -52.21 18.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.398 -1.06 . . . . 2.6800000000000002 109.132 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.47 -37.07 72.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.366 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.27 -41.21 97.03 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.311 -0.868 . . . . 2.77 109.126 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.25 -50.64 70.74 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.46 -0.775 . . . . 0.42999999999999999 109.673 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -52.12 -40.04 60.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 1.6599999999999999 109.985 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.39 -52.49 64.39 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.205 -0.935 . . . . 0.44 110.191 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.63 -44.69 96.06 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 108.931 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.6 -40.32 59.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.258 -0.901 . . . . 2.4399999999999999 109.299 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.14 -53.46 57.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.74 109.656 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.75 -38.05 80.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.93 . . . . 0.29999999999999999 108.542 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.09 -54.59 45.28 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.427 -0.796 . . . . 1.22 109.298 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.417 -0.802 . . . . 1.72 109.505 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -55.01 38.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.27000000000000002 109.621 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.9 -44.19 97.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.298 -0.876 . . . . 0.28999999999999998 109.421 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.58 -36.04 77.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.9099999999999999 109.481 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.528 HD11 HE22 ' B' ' 354' ' ' GLN . 50.0 tp -63.92 -48.44 76.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.40999999999999998 109.529 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.83 -43.53 98.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 1.5600000000000001 109.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.8 -35.16 68.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.56 -0.713 . . . . 1.4299999999999999 109.529 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.93 80.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.66000000000000003 109.932 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.572 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 71.3 mt-30 -81.3 -3.04 51.32 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.185 -0.947 . . . . 1.1799999999999999 109.731 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -0.12 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 1.23 109.427 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.77 -1.02 90.55 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.921 -1.272 . . . . 1.54 109.921 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.54 4.74 34.58 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.092 -1.24 . . . . 4.1799999999999997 109.151 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.79 110.32 1.34 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.162 -0.961 . . . . 5.71 109.257 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -60.11 139.68 88.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 120.567 0.845 . . . . 5.6100000000000003 109.957 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 117.974 -1.459 . . . . 7.2400000000000002 109.613 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.494 -0.558 . . . . 7.3399999999999999 109.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 321' ' ' LYS . 41.0 tttp 70.1 -66.12 0.29 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.688 -0.632 . . . . 7.1699999999999999 110.016 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 320' ' ' LYS . 4.8 mtpm? 60.83 146.63 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.827 0 N-CA-C 109.156 -0.683 . . . . 6.4400000000000004 109.156 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.13 -85.69 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 121.061 1.174 . . . . 4.54 110.522 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.5 mt -81.36 114.01 19.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.978 . . . . 4.3200000000000003 110.256 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.26 -152.79 0.11 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.282 -0.886 . . . . 2.4700000000000002 109.217 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.49 156.72 53.41 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.787 -1.325 . . . . 0.94999999999999996 109.787 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.13 133.13 55.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.292 -1.123 . . . . 1.6100000000000001 109.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -97.15 158.62 15.35 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.326 -0.858 . . . . 0.56999999999999995 109.617 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.99 -171.15 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.344 -0.847 . . . . 0.53000000000000003 109.125 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -151.64 150.08 29.86 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.015 -1.053 . . . . 0.38 109.359 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -142.17 133.53 26.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.394 -0.816 . . . . 0.35999999999999999 109.594 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.24 131.78 34.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.459 -0.775 . . . . 1.3600000000000001 108.983 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.44 114.48 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.467 -0.771 . . . . 0.48999999999999999 109.131 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.589 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.54 39.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.499 -0.751 . . . . 2.1000000000000001 109.13 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 88.54 126.85 2.71 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.232 -1.147 . . . . 0.44 110.232 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.517 HH11 ' CG ' ' B' ' 335' ' ' ARG . 1.2 ttt-85 -72.08 -52.12 18.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.463 -1.022 . . . . 2.7200000000000002 109.173 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.41 -37.15 72.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 2.21 109.402 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.27 -41.19 97.03 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.334 -0.854 . . . . 2.79 109.179 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.26 -50.54 71.07 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.506 -0.746 . . . . 0.45000000000000001 109.772 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.404 -0.81 . . . . 1.6799999999999999 110.017 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.44 -52.55 64.08 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.211 -0.931 . . . . 0.42999999999999999 110.084 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -60.62 -44.76 95.96 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.116 -0.99 . . . . 0.28000000000000003 108.878 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.47 -40.54 59.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.285 -0.884 . . . . 2.52 109.25 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -60.04 -53.47 57.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 1.75 109.676 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.77 -37.93 80.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.31 108.651 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.23 -54.55 45.77 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.78 . . . . 1.21 109.288 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.463 -0.773 . . . . 1.6899999999999999 109.486 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.748 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.64 -54.98 38.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.27000000000000002 109.597 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.9 -44.38 97.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.336 -0.853 . . . . 0.29999999999999999 109.419 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.42 -36.09 77.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.89 . . . . 1.9299999999999999 109.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.525 HD11 HE22 ' A' ' 354' ' ' GLN . 50.0 tp -63.9 -48.42 76.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.923 . . . . 0.40000000000000002 109.548 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.79 -43.56 98.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.349 -0.844 . . . . 1.5900000000000001 109.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.71 -35.3 68.36 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.508 -0.745 . . . . 1.4299999999999999 109.562 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.0 80.83 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.65000000000000002 109.903 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.572 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 71.2 mt-30 -81.28 -3.13 51.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.162 -0.961 . . . . 1.1899999999999999 109.732 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.78 -0.14 6.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 1.22 109.442 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.71 -1.18 90.53 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.906 -1.278 . . . . 1.53 109.906 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.49 4.76 34.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.134 -1.215 . . . . 4.21 109.151 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.86 110.4 1.37 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 5.6799999999999997 109.256 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -60.15 139.73 88.81 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 N-CA-C 109.992 -0.811 . . . . 5.5700000000000003 109.992 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.574 -1.41 . . . . 7.2000000000000002 109.574 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.506 -0.553 . . . . 8.9600000000000009 109.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 321' ' ' LYS . 41.0 tttp 70.11 -66.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.689 -0.632 . . . . 8.1500000000000004 109.955 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 320' ' ' LYS . 4.8 mtpm? 60.84 146.56 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.81 0 N-CA-C 109.153 -0.684 . . . . 7.1500000000000004 109.153 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.97 -85.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 121.137 1.225 . . . . 4.3499999999999996 110.575 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -81.25 113.92 19.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.255 -0.903 . . . . 4.6299999999999999 110.314 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.32 -152.89 0.11 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 2.8500000000000001 109.227 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.29 156.65 53.41 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.775 -1.33 . . . . 1.1200000000000001 109.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.04 133.08 55.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.277 -1.131 . . . . 2.1099999999999999 109.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -97.14 158.77 15.28 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.204 -0.935 . . . . 0.64000000000000001 109.521 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.08 -171.14 2.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.371 -0.831 . . . . 0.48999999999999999 109.131 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.65 150.12 29.9 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.159 -0.963 . . . . 0.46999999999999997 109.354 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -142.25 133.48 26.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.395 -0.816 . . . . 0.41999999999999998 109.628 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -87.14 131.83 34.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.397 -0.814 . . . . 1.8100000000000001 109.041 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.47 114.38 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 109.111 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.83 150.61 39.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.504 -0.747 . . . . 2.3500000000000001 109.107 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.535 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 88.47 126.8 2.68 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 110.257 -1.137 . . . . 0.40999999999999998 110.257 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' C' ' 335' ' ' ARG . 1.2 ttt-85 -71.98 -52.14 18.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.455 -1.026 . . . . 2.5899999999999999 109.23 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.45 -37.1 72.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.304 -0.873 . . . . 2.54 109.36 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.34 -41.1 96.95 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.296 -0.877 . . . . 3.3900000000000001 109.144 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.41 -50.51 71.39 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.482 -0.761 . . . . 0.46999999999999997 109.713 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.15 -39.97 60.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 1.6599999999999999 110.037 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -61.42 -52.43 64.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.272 -0.892 . . . . 0.60999999999999999 110.142 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.086 -1.009 . . . . 0.33000000000000002 108.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -51.47 -40.54 59.69 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.276 -0.89 . . . . 3.2799999999999998 109.283 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.99 -53.51 57.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.364 -0.835 . . . . 1.78 109.642 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.8 -37.95 80.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.245 -0.91 . . . . 0.38 108.607 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.11 -54.58 45.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.435 -0.791 . . . . 1.2 109.386 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.54 -33.36 74.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.444 -0.785 . . . . 2.1200000000000001 109.566 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.64 -54.9 39.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.878 . . . . 0.26000000000000001 109.677 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.95 -44.38 97.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.40000000000000002 109.413 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.35 -36.08 77.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.576 HD11 HE22 ' D' ' 354' ' ' GLN . 49.9 tp -63.95 -48.38 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.75 109.562 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.86 -43.57 98.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.361 -0.837 . . . . 2.1899999999999999 109.013 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.74 -35.17 68.27 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.557 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -37.0 80.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.71999999999999997 109.936 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.555 HE22 HD11 ' D' ' 350' ' ' LEU . 71.2 mt-30 -81.31 -3.09 51.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.149 -0.97 . . . . 1.8 109.712 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.86 -0.11 6.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 1.3899999999999999 109.389 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.78 -1.1 90.55 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.908 -1.277 . . . . 1.6599999999999999 109.908 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -85.41 4.62 34.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.094 -1.239 . . . . 4.4500000000000002 109.168 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -47.82 110.43 1.38 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 6.1900000000000004 109.226 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -60.15 139.65 88.37 Favored 'Trans proline' 0 C--O 1.216 -0.619 0 C-N-CA 120.533 0.822 . . . . 5.5800000000000001 109.987 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.991 -1.449 . . . . 6.9000000000000004 109.595 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.464 -0.569 . . . . 7.3600000000000003 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 321' ' ' LYS . 41.0 tttp 70.16 -66.23 0.28 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.713 -0.617 . . . . 7.1500000000000004 109.97 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' D' ' 320' ' ' LYS . 4.8 mtpm? 60.91 146.6 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.845 0 N-CA-C 109.16 -0.682 . . . . 6.5 109.16 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -61.06 -85.72 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 121.067 1.178 . . . . 4.5 110.566 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -81.25 113.91 19.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.95 . . . . 4.3200000000000003 110.278 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.29 -152.84 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.295 -0.878 . . . . 2.46 109.247 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.31 156.55 53.38 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.796 -1.322 . . . . 0.96999999999999997 109.796 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -60.94 133.15 55.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.385 -1.067 . . . . 1.6699999999999999 109.944 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -97.13 158.81 15.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.312 -0.867 . . . . 0.60999999999999999 109.564 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.18 -171.25 2.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.342 -0.849 . . . . 0.56000000000000005 109.105 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.61 150.17 29.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.122 -0.986 . . . . 0.42999999999999999 109.333 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -142.21 133.4 26.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.346 -0.846 . . . . 0.34999999999999998 109.691 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -87.07 131.86 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.079 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.54 114.43 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.346 -0.846 . . . . 0.47999999999999998 109.167 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.85 150.52 39.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.517 -0.739 . . . . 2.0800000000000001 109.109 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.546 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 88.55 126.71 2.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.24 -1.144 . . . . 0.40000000000000002 110.24 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.528 ' CG ' HH11 ' D' ' 335' ' ' ARG . 1.2 ttt-85 -71.95 -52.12 18.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.438 -1.036 . . . . 2.6400000000000001 109.183 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.48 -37.08 72.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.37 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.35 -41.14 96.9 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.339 -0.851 . . . . 2.7400000000000002 109.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.33 -50.45 71.43 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.541 -0.724 . . . . 0.42999999999999999 109.705 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.29 -40.0 61.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -61.29 -52.56 64.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.204 -0.935 . . . . 0.42999999999999999 110.17 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.67 -44.71 96.13 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.081 -1.012 . . . . 0.27000000000000002 108.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.48 -40.52 59.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.277 -0.89 . . . . 2.4500000000000002 109.299 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -59.97 -53.58 56.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.75 109.667 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.72 -38.03 80.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.137 -0.977 . . . . 0.31 108.543 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.06 -54.61 45.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 1.22 109.303 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -62.55 -33.52 75.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.382 -0.824 . . . . 1.73 109.458 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.59 -54.95 39.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.315 -0.866 . . . . 0.28000000000000003 109.608 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.0 -44.15 97.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 0.31 109.472 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.59 -36.08 77.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.45 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.555 HD11 HE22 ' C' ' 354' ' ' GLN . 49.9 tp -63.84 -48.35 77.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 109.597 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.86 -43.61 98.33 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -0.844 . . . . 1.5700000000000001 109.069 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.72 -35.22 68.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.612 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.11 81.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.292 -0.88 . . . . 0.64000000000000001 109.939 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.576 HE22 HD11 ' C' ' 350' ' ' LEU . 71.3 mt-30 -81.24 -3.01 51.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.207 -0.933 . . . . 1.21 109.744 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.83 -0.21 6.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -0.948 . . . . 1.22 109.422 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.69 -1.14 90.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.903 -1.279 . . . . 1.5 109.903 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -85.47 4.75 34.25 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.065 -1.256 . . . . 4.1799999999999997 109.158 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -47.83 110.36 1.36 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 5.6699999999999999 109.272 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -60.19 139.74 88.73 Favored 'Trans proline' 0 C--O 1.215 -0.644 0 N-CA-C 109.92 -0.839 . . . . 5.6500000000000004 109.92 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 7.2699999999999996 109.525 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.363 0.602 . . . . 7.3300000000000001 109.529 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.34 5.55 2.08 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.318 -0.864 . . . . 7.21 109.082 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' A' ' 323' ' ' LEU . 41.9 mmtm 54.82 78.35 0.39 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.224 -0.922 . . . . 6.4699999999999998 109.499 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.15 5.3 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 121.343 1.362 . . . . 4.5300000000000002 110.011 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.3 mt -81.35 51.18 1.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 4.3499999999999996 109.322 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.94 -102.92 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.679 -0.638 . . . . 2.48 109.68 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.484 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -68.24 153.54 52.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.537 -1.425 . . . . 0.97999999999999998 109.537 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -59.18 123.13 15.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -1.105 . . . . 1.7 109.632 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.484 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 65.4 m-85 -93.81 154.95 17.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.326 -0.859 . . . . 0.60999999999999999 109.244 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -136.95 -172.33 3.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.323 -0.861 . . . . 0.57999999999999996 109.445 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -150.43 152.17 33.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.303 -0.999 . . . . 0.41999999999999998 108.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.0 133.88 22.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.35999999999999999 109.783 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.13 129.17 34.85 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.612 -0.884 . . . . 1.3700000000000001 108.612 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -123.59 110.61 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.472 -0.767 . . . . 0.46999999999999997 109.278 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 31.7 ttt-85 -75.12 147.68 40.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.67 -0.644 . . . . 2.1000000000000001 109.702 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.38 2.44 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.972 -1.251 . . . . 0.41999999999999998 109.972 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.463 ' HG3' HH11 ' A' ' 335' ' ' ARG . 9.7 ttm-85 -71.22 -43.08 68.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -1.106 . . . . 2.6800000000000002 109.258 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.347 -0.846 . . . . 2.2200000000000002 109.63 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.59 -39.79 95.29 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.2 -0.938 . . . . 2.77 109.56 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -54.44 -54.4 41.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.393 -0.817 . . . . 0.42999999999999999 109.769 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.91 -40.62 61.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.687 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.28 -52.96 59.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.346 -0.846 . . . . 0.44 110.36 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.28999999999999998 109.15 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.94 -35.78 47.04 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.324 -0.86 . . . . 2.4399999999999999 109.448 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.54 -48.74 79.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.086 -1.009 . . . . 1.74 109.658 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.3 -37.4 80.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.29999999999999999 108.664 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.12 -57.35 13.22 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 1.22 109.506 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -63.16 -35.48 80.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.409 -0.807 . . . . 1.72 109.568 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.08 -54.35 48.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.27000000000000002 109.966 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.12 -44.28 97.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.134 -0.979 . . . . 0.28999999999999998 109.388 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.55 -35.86 75.04 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.347 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.504 HD11 HE22 ' B' ' 354' ' ' GLN . 33.1 tp -64.02 -48.82 74.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 0.40999999999999998 109.344 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.51 -48.01 79.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.359 -0.838 . . . . 1.5600000000000001 108.985 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.95 -32.07 69.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.669 -0.644 . . . . 1.4299999999999999 109.571 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.26 77.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.66000000000000003 109.979 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.51 HE22 HD11 ' B' ' 350' ' ' LEU . 28.8 mt-30 -81.93 -9.45 59.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.681 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -3.96 25.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.216 -0.927 . . . . 1.23 109.328 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.86 36.64 3.0 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.774 -1.33 . . . . 1.54 109.774 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.15 134.83 34.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.036 -1.273 . . . . 4.1799999999999997 109.289 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -50.96 152.66 3.55 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 5.71 109.41 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.83 166.4 2.96 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 121.219 1.28 . . . . 5.6100000000000003 110.105 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 CA-C-O 117.974 -1.459 . . . . 7.2400000000000002 109.479 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.376 0.608 . . . . 7.3399999999999999 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 5.54 2.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.327 -0.858 . . . . 7.1699999999999999 109.101 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' B' ' 323' ' ' LEU . 41.7 mmtm 54.83 78.34 0.39 Allowed Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.234 -0.916 . . . . 6.4400000000000004 109.531 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.14 5.31 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 121.342 1.361 . . . . 4.54 110.01 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.2 mt -81.43 51.32 1.62 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 4.3200000000000003 109.332 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -79.94 -103.16 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.886 0 O-C-N 121.59 -0.694 . . . . 2.4700000000000002 109.69 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.487 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -67.9 153.59 52.93 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.585 -1.406 . . . . 0.94999999999999996 109.585 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -59.33 123.19 15.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -1.095 . . . . 1.6100000000000001 109.583 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.487 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 64.9 m-85 -93.77 154.93 17.5 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.282 -0.886 . . . . 0.56999999999999995 109.267 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -136.88 -172.27 3.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.53000000000000003 109.397 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.0 p -150.37 152.38 34.3 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.247 -1.02 . . . . 0.38 108.247 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -145.12 133.67 22.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.218 -0.926 . . . . 0.35999999999999999 109.82 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.96 129.17 34.84 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.9 mt -123.67 110.64 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.507 -0.746 . . . . 0.48999999999999999 109.248 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 31.9 ttt-85 -75.13 147.61 40.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.618 -0.676 . . . . 2.1000000000000001 109.695 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.24 124.45 2.46 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.992 -1.243 . . . . 0.44 109.992 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' B' ' 335' ' ' ARG . 9.6 ttm-85 -71.36 -42.94 67.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -1.14 . . . . 2.7200000000000002 109.276 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.77 -45.78 89.0 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.331 -0.856 . . . . 2.21 109.566 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.55 -39.88 95.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.233 -0.917 . . . . 2.79 109.525 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -54.4 -54.43 40.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.485 -0.76 . . . . 0.45000000000000001 109.75 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.89 -40.65 61.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 1.6799999999999999 109.734 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.27 -52.92 60.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.267 -0.896 . . . . 0.42999999999999999 110.356 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.14 -53.8 52.51 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.168 -0.957 . . . . 0.28000000000000003 109.135 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.93 -35.78 46.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.85 . . . . 2.52 109.448 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.59 -48.84 79.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.75 109.609 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.25 -37.33 80.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.275 -0.891 . . . . 0.31 108.697 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.17 -57.34 13.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.506 -0.746 . . . . 1.21 109.478 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.22 -35.45 80.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.47 -0.769 . . . . 1.6899999999999999 109.565 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.04 -54.43 47.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.375 -0.828 . . . . 0.27000000000000002 109.984 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.07 -44.23 97.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.515 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.63 -35.75 74.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.233 -0.917 . . . . 1.9299999999999999 109.328 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.51 HD11 HE22 ' A' ' 354' ' ' GLN . 32.9 tp -64.15 -48.88 74.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.271 -0.893 . . . . 0.40000000000000002 109.288 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.41 -47.91 80.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -0.845 . . . . 1.5900000000000001 108.983 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.99 -32.04 69.33 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.592 -0.693 . . . . 1.4299999999999999 109.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.21 77.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.858 . . . . 0.65000000000000002 109.939 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.504 HE22 HD11 ' A' ' 350' ' ' LEU . 28.8 mt-30 -81.95 -9.46 59.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.932 . . . . 1.1899999999999999 109.601 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.86 -3.95 25.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.168 -0.957 . . . . 1.22 109.369 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.86 36.75 2.99 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.798 -1.321 . . . . 1.53 109.798 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.15 134.88 34.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 4.21 109.304 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -51.07 152.6 3.74 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.315 -0.866 . . . . 5.6799999999999997 109.337 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -55.77 166.42 2.88 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 C-N-CA 121.25 1.3 . . . . 5.5700000000000003 110.133 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.487 -1.445 . . . . 7.2000000000000002 109.487 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.382 0.61 . . . . 8.9600000000000009 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 5.7 2.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.312 -0.868 . . . . 8.1500000000000004 109.073 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' C' ' 323' ' ' LEU . 41.7 mmtm 54.83 78.24 0.4 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.237 -0.914 . . . . 7.1500000000000004 109.564 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.14 5.26 0.53 Allowed 'Trans proline' 0 C--N 1.32 -0.946 0 C-N-CA 121.357 1.372 . . . . 4.3499999999999996 110.015 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.2 mt -81.31 51.26 1.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.129 -0.982 . . . . 4.6299999999999999 109.387 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.88 -103.02 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.576 -0.703 . . . . 2.8500000000000001 109.687 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -68.13 153.45 52.92 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.593 -1.403 . . . . 1.1200000000000001 109.593 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -59.03 123.13 15.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.343 -1.092 . . . . 2.1099999999999999 109.604 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 64.8 m-85 -93.83 154.86 17.51 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.22 -0.925 . . . . 0.64000000000000001 109.313 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -136.89 -172.32 3.15 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.381 -0.824 . . . . 0.48999999999999999 109.392 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -150.48 152.19 33.85 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.294 -1.002 . . . . 0.46999999999999997 108.294 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.3 tp -144.99 133.75 22.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.171 -0.956 . . . . 0.41999999999999998 109.813 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -84.99 129.2 34.84 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.62 -0.881 . . . . 1.8100000000000001 108.62 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.73 110.61 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 CA-C-O 121.676 0.75 . . . . 0.41999999999999998 109.231 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -75.12 147.71 40.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.548 -0.72 . . . . 2.3500000000000001 109.745 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 124.38 2.42 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.982 -1.247 . . . . 0.40999999999999998 109.982 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.456 HH11 ' HG3' ' C' ' 335' ' ' ARG . 9.6 ttm-85 -71.27 -42.89 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -1.143 . . . . 2.5899999999999999 109.339 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.78 -45.8 88.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.367 -0.833 . . . . 2.54 109.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -63.61 -39.81 95.3 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.237 -0.915 . . . . 3.3900000000000001 109.47 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -54.46 -54.42 41.14 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.462 -0.774 . . . . 0.46999999999999997 109.742 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.89 -40.66 61.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.316 -0.865 . . . . 1.6599999999999999 109.723 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -63.26 -52.95 60.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.302 -0.874 . . . . 0.60999999999999999 110.352 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.13 -53.78 52.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.091 -1.005 . . . . 0.33000000000000002 109.117 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -52.05 -35.74 48.24 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.281 -0.887 . . . . 3.2799999999999998 109.391 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -61.61 -48.73 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.057 -1.027 . . . . 1.78 109.646 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.36 -37.27 80.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.38 108.666 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.19 -57.32 13.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.556 -0.715 . . . . 1.2 109.489 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -63.17 -35.48 80.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.422 -0.799 . . . . 2.1200000000000001 109.568 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -54.45 46.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.26000000000000001 109.952 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.03 -44.29 97.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.195 -0.94 . . . . 0.40000000000000002 109.494 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.53 -35.83 74.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.0899999999999999 109.326 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.497 HD11 HE22 ' D' ' 354' ' ' GLN . 33.0 tp -64.1 -48.9 74.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.75 109.321 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.46 -47.93 79.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 108.975 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.95 -32.05 69.27 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.678 -0.639 . . . . 1.3400000000000001 109.631 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.2 77.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.316 -0.865 . . . . 0.71999999999999997 109.997 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -82.0 -9.48 59.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.228 -0.92 . . . . 1.8 109.572 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -4.02 25.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.123 -0.986 . . . . 1.3899999999999999 109.313 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.91 36.71 3.0 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.733 -1.347 . . . . 1.6599999999999999 109.733 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.14 134.81 34.16 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.067 -1.254 . . . . 4.4500000000000002 109.328 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -50.97 152.59 3.61 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.317 -0.864 . . . . 6.1900000000000004 109.401 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.81 166.44 2.9 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 121.219 1.279 . . . . 5.5800000000000001 110.147 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.469 -1.452 . . . . 6.9000000000000004 109.469 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.339 0.59 . . . . 7.3600000000000003 109.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 5.58 2.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 7.1500000000000004 109.16 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' D' ' 323' ' ' LEU . 41.7 mmtm 54.85 78.3 0.39 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.152 -0.967 . . . . 6.5 109.61 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -65.1 5.25 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 121.337 1.358 . . . . 4.5 110.069 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.3 mt -81.37 51.3 1.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.249 -0.907 . . . . 4.3200000000000003 109.314 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -79.91 -103.16 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 O-C-N 121.693 -0.63 . . . . 2.46 109.641 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.99 153.49 52.92 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.588 -1.405 . . . . 0.96999999999999997 109.588 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.11 123.21 15.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.282 -1.128 . . . . 1.6699999999999999 109.644 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.483 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 64.1 m-85 -93.81 155.01 17.44 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.311 -0.868 . . . . 0.60999999999999999 109.269 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -137.03 -172.3 3.15 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.275 -0.89 . . . . 0.56000000000000005 109.415 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 36.9 p -150.44 152.23 33.98 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.274 -1.01 . . . . 0.42999999999999999 108.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.08 133.76 22.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.115 -0.991 . . . . 0.34999999999999998 109.783 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.06 129.2 34.84 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 1.3700000000000001 108.611 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.65 110.68 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.488 -0.757 . . . . 0.47999999999999998 109.263 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -75.22 147.73 40.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.628 -0.67 . . . . 2.0800000000000001 109.686 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.25 124.38 2.45 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.885 -1.286 . . . . 0.40000000000000002 109.885 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.446 HH11 ' HG3' ' D' ' 335' ' ' ARG . 9.7 ttm-85 -71.23 -42.94 68.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -1.196 . . . . 2.6400000000000001 109.332 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.76 -45.66 89.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 2.2200000000000002 109.619 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -63.7 -39.81 95.22 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.235 -0.916 . . . . 2.7400000000000002 109.525 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.41 -54.37 41.65 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.447 -0.783 . . . . 0.42999999999999999 109.779 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -51.97 -40.59 61.12 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.246 -0.909 . . . . 1.6899999999999999 109.715 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -63.4 -52.81 60.05 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 110.306 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -61.24 -53.75 52.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.117 -0.989 . . . . 0.27000000000000002 109.169 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -51.96 -35.8 47.31 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.278 -0.889 . . . . 2.4500000000000002 109.42 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -61.56 -48.73 79.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.156 -0.965 . . . . 1.75 109.649 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.5 mt -60.32 -37.27 80.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.31 108.724 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.13 -57.41 12.98 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.545 -0.722 . . . . 1.22 109.432 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -63.21 -35.47 80.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.375 -0.828 . . . . 1.73 109.539 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.422 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.06 -54.39 47.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.325 -0.859 . . . . 0.28000000000000003 109.939 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.17 -44.06 97.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.235 -0.915 . . . . 0.31 109.538 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -35.9 75.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.9099999999999999 109.313 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.06 -48.94 74.27 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.291 -0.88 . . . . 0.42999999999999999 109.308 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.2 ttmp? -63.46 -47.97 79.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.362 -0.836 . . . . 1.5700000000000001 108.959 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.88 -32.17 69.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.641 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.1 77.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.974 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.497 HE22 HD11 ' C' ' 350' ' ' LEU . 28.8 mt-30 -82.08 -9.39 59.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.876 . . . . 1.21 109.573 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.91 -3.97 25.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.144 -0.972 . . . . 1.22 109.267 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.82 36.73 2.99 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.778 -1.329 . . . . 1.5 109.778 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -85.09 134.79 34.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.081 -1.246 . . . . 4.1799999999999997 109.37 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -50.95 152.62 3.57 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 5.6699999999999999 109.444 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.87 166.47 2.93 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 121.243 1.296 . . . . 5.6500000000000004 110.073 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.464 -1.454 . . . . 7.2699999999999996 109.464 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.522 -0.547 . . . . 7.3300000000000001 109.522 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 321' ' ' LYS . 0.4 OUTLIER 58.17 -81.38 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.574 -0.704 . . . . 7.21 109.773 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 319' ' ' LYS . 45.2 mtpt 59.04 146.55 0.06 OUTLIER Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 6.4699999999999998 109.825 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -58.19 -156.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 121.024 1.15 . . . . 4.5300000000000002 109.768 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.4 mt -79.4 146.47 32.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 4.3499999999999996 109.106 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -79.44 -142.92 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.48 109.731 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.15 165.88 45.37 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.646 -1.381 . . . . 0.97999999999999998 109.646 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -58.1 137.2 57.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -1.121 . . . . 1.7 109.458 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -93.82 158.46 15.65 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.287 -0.883 . . . . 0.60999999999999999 109.644 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.83 -169.22 2.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.463 -0.773 . . . . 0.57999999999999996 109.286 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.86 149.93 29.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 0.41999999999999998 108.86 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -143.24 134.35 25.74 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.312 -0.867 . . . . 0.35999999999999999 109.412 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.9 132.72 34.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.677 -0.861 . . . . 1.3700000000000001 108.677 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.12 113.71 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.464 -0.772 . . . . 0.46999999999999997 109.488 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -74.96 143.41 43.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.391 -0.818 . . . . 2.1000000000000001 109.827 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.34 137.76 7.03 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.031 -1.227 . . . . 0.41999999999999998 110.031 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.513 ' HG2' HH11 ' A' ' 335' ' ' ARG . 1.3 ttt-85 -82.67 -44.69 15.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.395 -1.062 . . . . 2.6800000000000002 109.148 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.85 -43.01 85.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.343 -0.848 . . . . 2.2200000000000002 109.379 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.34 -40.62 97.81 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.28 -0.887 . . . . 2.77 109.381 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -55.92 -54.6 42.8 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.481 -0.762 . . . . 0.42999999999999999 109.767 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.94 -38.74 57.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.818 . . . . 1.6599999999999999 109.855 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.56 -51.61 66.7 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.271 -0.893 . . . . 0.44 110.211 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.18 -43.82 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.929 . . . . 0.28999999999999998 109.013 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -51.98 -42.7 63.16 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.218 -0.926 . . . . 2.4399999999999999 109.422 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.73 -53.32 59.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.887 . . . . 1.74 109.789 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -60.44 -35.59 76.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.121 -0.987 . . . . 0.29999999999999999 108.694 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.06 -55.62 32.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.401 -0.812 . . . . 1.22 109.45 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.306 -0.871 . . . . 1.72 109.609 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.6 -52.69 64.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.27000000000000002 110.021 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 53.1 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.129 -0.982 . . . . 0.28999999999999998 109.364 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.37 -35.68 74.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.211 -0.931 . . . . 1.9099999999999999 109.429 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -63.69 -51.28 65.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.372 -0.83 . . . . 0.40999999999999998 109.139 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.8 -46.06 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.811 . . . . 1.5600000000000001 109.181 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.68 -33.84 68.77 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.603 -0.686 . . . . 1.4299999999999999 109.706 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.97 84.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.87 . . . . 0.66000000000000003 109.782 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.49 -4.21 55.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 1.1799999999999999 109.667 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -8.49 53.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 1.23 109.598 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.97 -33.39 15.33 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.65 -1.38 . . . . 1.54 109.65 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -86.84 150.28 24.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -1.164 . . . . 4.1799999999999997 109.69 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.02 154.73 2.41 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 5.71 109.041 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.43 129.67 36.41 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 121.222 1.281 . . . . 5.6100000000000003 109.898 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.001 -1.444 . . . . 7.2400000000000002 109.614 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 321' ' ' LYS . 35.6 mtmt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.51 -0.552 . . . . 7.3399999999999999 109.51 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.4 OUTLIER 58.24 -81.37 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.563 -0.711 . . . . 7.1699999999999999 109.759 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' B' ' 319' ' ' LYS . 45.3 mtpt 58.92 146.65 0.06 OUTLIER Pre-proline 0 N--CA 1.501 2.098 0 O-C-N 121.756 -0.59 . . . . 6.4400000000000004 109.734 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.7 Cg_endo -58.22 -156.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 120.944 1.096 . . . . 4.54 109.764 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.34 146.47 32.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 4.3200000000000003 109.081 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.48 -143.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.207 -0.933 . . . . 2.4700000000000002 109.699 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.77 165.84 44.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.682 -1.367 . . . . 0.94999999999999996 109.682 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.11 137.14 57.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -1.075 . . . . 1.6100000000000001 109.474 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.84 158.28 15.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.223 -0.923 . . . . 0.56999999999999995 109.791 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.65 -169.14 2.4 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.53000000000000003 109.318 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.85 150.05 29.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.183 -0.948 . . . . 0.38 108.793 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -143.25 134.38 25.75 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.267 -0.896 . . . . 0.35999999999999999 109.414 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.89 132.74 34.03 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.2 113.7 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.493 -0.754 . . . . 0.48999999999999999 109.383 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.12 143.39 43.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 2.1000000000000001 109.789 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.38 137.85 7.1 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.048 -1.221 . . . . 0.44 110.048 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.517 ' HG2' HH11 ' B' ' 335' ' ' ARG . 1.4 ttt-85 -82.67 -44.74 15.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -1.035 . . . . 2.7200000000000002 109.2 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.87 -43.13 85.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 2.21 109.28 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.19 -40.63 98.06 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.293 -0.879 . . . . 2.79 109.409 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -55.93 -54.59 42.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.445 -0.784 . . . . 0.45000000000000001 109.762 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.95 -38.7 57.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 1.6799999999999999 109.806 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.57 -51.7 66.32 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.185 -0.947 . . . . 0.42999999999999999 110.093 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.17 -43.8 98.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.106 -0.996 . . . . 0.28000000000000003 109.053 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.95 -42.69 63.07 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.259 -0.901 . . . . 2.52 109.442 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.72 -53.31 59.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 1.75 109.793 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.48 -35.49 76.02 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.166 -0.959 . . . . 0.31 108.749 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.17 -55.59 33.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.425 -0.797 . . . . 1.21 109.411 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.8 -33.01 74.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.36 -0.838 . . . . 1.6899999999999999 109.624 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.467 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.6 -52.73 64.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.368 -0.832 . . . . 0.27000000000000002 110.008 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.38 -44.74 96.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 0.29999999999999999 109.395 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -59.31 -35.75 74.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.9299999999999999 109.415 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -63.63 -51.38 65.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.40000000000000002 109.181 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.68 -46.11 91.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.442 -0.786 . . . . 1.5900000000000001 109.137 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.67 -33.81 68.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.678 -0.639 . . . . 1.4299999999999999 109.695 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.86 84.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.9 . . . . 0.65000000000000002 109.788 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.51 -4.16 55.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.1899999999999999 109.674 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.33 -8.37 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.235 -0.915 . . . . 1.22 109.58 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.02 -33.44 15.07 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.525 -1.43 . . . . 1.53 109.525 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -86.89 150.21 24.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -1.146 . . . . 4.21 109.613 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -50.98 154.84 2.31 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.34 -0.85 . . . . 5.6799999999999997 108.973 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.48 129.71 36.61 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.16 1.24 . . . . 5.5700000000000003 109.845 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.364 0 CA-C-O 117.925 -1.486 . . . . 7.2000000000000002 109.537 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' C' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.472 -0.566 . . . . 8.9600000000000009 109.472 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' C' ' 321' ' ' LYS . 0.4 OUTLIER 58.2 -81.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.483 -0.761 . . . . 8.1500000000000004 109.758 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' C' ' 319' ' ' LYS . 45.3 mtpt 58.98 146.61 0.06 OUTLIER Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.762 -0.586 . . . . 7.1500000000000004 109.754 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.8 Cg_endo -58.28 -156.25 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 120.917 1.078 . . . . 4.3499999999999996 109.725 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 28.3 mt -79.36 146.51 32.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.297 -0.877 . . . . 4.6299999999999999 109.151 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.41 -143.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.329 -0.857 . . . . 2.8500000000000001 109.708 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.92 165.8 44.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.692 -1.363 . . . . 1.1200000000000001 109.692 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -58.06 137.08 57.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.288 -1.125 . . . . 2.1099999999999999 109.507 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -93.75 158.36 15.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.325 -0.86 . . . . 0.64000000000000001 109.723 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -136.74 -169.16 2.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.48999999999999999 109.311 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.91 150.05 29.62 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -0.903 . . . . 0.46999999999999997 108.761 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -143.3 134.38 25.67 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.291 -0.881 . . . . 0.41999999999999998 109.384 -178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 132.77 34.0 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.604 -0.888 . . . . 1.8100000000000001 108.604 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.13 113.65 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.493 -0.755 . . . . 0.41999999999999998 109.489 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.07 143.42 43.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 2.3500000000000001 109.75 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.86 7.04 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.037 -1.225 . . . . 0.40999999999999998 110.037 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HG2' HH11 ' C' ' 335' ' ' ARG . 1.4 ttt-85 -82.73 -44.75 15.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.406 -1.055 . . . . 2.5899999999999999 109.168 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.76 -43.15 85.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.54 109.338 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -63.31 -40.65 97.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.229 -0.92 . . . . 3.3900000000000001 109.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.81 -54.63 42.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.46 -0.775 . . . . 0.46999999999999997 109.833 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.97 -38.58 57.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.295 -0.878 . . . . 1.6599999999999999 109.866 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttp -62.67 -51.61 66.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.279 -0.888 . . . . 0.60999999999999999 110.154 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -43.72 98.43 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.15 -0.969 . . . . 0.33000000000000002 109.028 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.07 -42.66 63.34 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.228 -0.92 . . . . 3.2799999999999998 109.439 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.77 -53.26 60.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 1.78 109.744 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.44 -35.6 76.22 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.169 -0.957 . . . . 0.38 108.722 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.08 -55.63 32.64 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.409 -0.807 . . . . 1.2 109.387 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.89 -32.93 74.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 2.1200000000000001 109.621 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -52.74 64.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.26000000000000001 109.975 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.8 mt -61.49 -44.7 96.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.40000000000000002 109.334 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.29 -35.81 74.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.922 . . . . 2.0899999999999999 109.348 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.507 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.9 tt -63.65 -51.31 65.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.75 109.134 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.83 -46.02 91.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.31 -0.869 . . . . 2.1899999999999999 109.139 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.71 -33.78 68.78 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.603 -0.686 . . . . 1.3400000000000001 109.742 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.0 84.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.71999999999999997 109.78 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.38 -4.27 55.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 1.8 109.734 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -8.38 53.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 1.3899999999999999 109.619 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.05 -33.41 15.04 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.601 -1.4 . . . . 1.6599999999999999 109.601 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -86.84 150.16 24.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.259 -1.142 . . . . 4.4500000000000002 109.661 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.88 154.74 2.31 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.284 -0.885 . . . . 6.1900000000000004 109.011 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.47 129.74 36.77 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.152 1.235 . . . . 5.5800000000000001 109.845 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 117.992 -1.449 . . . . 6.9000000000000004 109.613 179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' D' ' 321' ' ' LYS . 35.7 mtmt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.46 -0.57 . . . . 7.3600000000000003 109.46 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' D' ' 321' ' ' LYS . 0.4 OUTLIER 58.19 -81.32 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 7.1500000000000004 109.751 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' D' ' 319' ' ' LYS . 45.3 mtpt 58.95 146.61 0.06 OUTLIER Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 121.779 -0.575 . . . . 6.5 109.802 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.23 -156.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 120.977 1.118 . . . . 4.5 109.733 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 146.53 32.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.19 -0.944 . . . . 4.3200000000000003 109.105 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 -143.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.207 -0.933 . . . . 2.46 109.64 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.95 165.88 44.68 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.708 -1.357 . . . . 0.96999999999999997 109.708 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.14 137.07 57.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.244 -1.151 . . . . 1.6699999999999999 109.474 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -93.63 158.41 15.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.283 -0.886 . . . . 0.60999999999999999 109.803 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -136.79 -169.14 2.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.393 -0.817 . . . . 0.56000000000000005 109.336 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -151.99 149.86 29.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.259 -0.901 . . . . 0.42999999999999999 108.748 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -143.13 134.43 26.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.874 . . . . 0.34999999999999998 109.479 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -86.04 132.75 33.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.2 mt -123.12 113.68 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.474 -0.766 . . . . 0.47999999999999998 109.452 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -75.01 143.38 43.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 2.0800000000000001 109.78 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.35 137.77 7.04 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.026 -1.23 . . . . 0.40000000000000002 110.026 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.524 ' HG2' HH11 ' D' ' 335' ' ' ARG . 1.4 ttt-85 -82.56 -44.83 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.447 -1.031 . . . . 2.6400000000000001 109.153 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.82 -43.04 85.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -0.849 . . . . 2.2200000000000002 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -63.37 -40.59 97.66 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.301 -0.874 . . . . 2.7400000000000002 109.336 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -55.93 -54.61 42.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.506 -0.747 . . . . 0.42999999999999999 109.835 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -51.81 -38.77 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 109.903 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.55 -51.69 66.39 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 110.141 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.15 -43.81 98.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.1 -1.0 . . . . 0.27000000000000002 108.96 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -52.0 -42.6 63.12 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.28 -0.888 . . . . 2.4500000000000002 109.538 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.83 -53.24 60.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -0.919 . . . . 1.75 109.804 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.48 -35.55 76.18 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.243 -0.911 . . . . 0.31 108.735 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.02 -55.68 32.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.386 -0.821 . . . . 1.22 109.453 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -63.79 -33.0 74.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.289 -0.882 . . . . 1.73 109.681 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -52.6 64.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.367 -0.833 . . . . 0.28000000000000003 110.001 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.51 -44.73 96.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 0.31 109.347 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -59.31 -35.73 74.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.281 -0.887 . . . . 1.9099999999999999 109.381 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.502 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.9 tt -63.68 -51.41 65.21 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.407 -0.808 . . . . 0.42999999999999999 109.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -61.74 -46.01 91.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.346 -0.846 . . . . 1.5700000000000001 109.179 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -57.61 -33.98 68.79 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.75 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.0 85.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.64000000000000001 109.783 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -81.45 -4.25 55.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.149 -0.969 . . . . 1.21 109.707 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -8.4 53.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.135 -0.978 . . . . 1.22 109.563 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.05 -33.47 14.9 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.547 -1.421 . . . . 1.5 109.547 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -86.83 150.23 24.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.191 -1.182 . . . . 4.1799999999999997 109.65 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.06 154.8 2.41 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.28 -0.887 . . . . 5.6699999999999999 109.007 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.38 129.66 36.4 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 121.113 1.208 . . . . 5.6500000000000004 109.981 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.941 -1.477 . . . . 7.2699999999999996 109.568 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.487 -0.56 . . . . 7.3300000000000001 109.487 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 55.6 mttm 54.61 69.33 0.74 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.336 -0.853 . . . . 7.21 109.453 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' A' ' 323' ' ' LEU . 61.0 mttm 52.06 83.34 0.23 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.932 . . . . 6.4699999999999998 109.228 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.83 2.76 0.51 Allowed 'Trans proline' 0 C--N 1.321 -0.868 0 C-N-CA 121.144 1.229 . . . . 4.5300000000000002 110.285 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.4 mt -82.18 93.27 7.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.045 -1.034 . . . . 4.3499999999999996 108.865 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.56 112.33 19.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.534 -0.729 . . . . 2.48 109.969 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.23 149.7 47.65 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.159 -1.577 . . . . 0.97999999999999998 109.159 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -59.72 125.31 23.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -1.163 . . . . 1.7 109.566 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 34.1 m-85 -94.13 147.99 22.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.222 -0.924 . . . . 0.60999999999999999 109.351 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.429 ' H ' HE21 ' C' ' 331' ' ' GLN . 81.7 m-85 -136.05 -172.95 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.349 -0.844 . . . . 0.57999999999999996 109.513 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.6 p -150.29 148.47 28.9 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.305 -0.872 . . . . 0.41999999999999998 108.759 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.74 136.08 33.79 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.319 -0.863 . . . . 0.35999999999999999 109.761 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.467 HE22 ' N ' ' A' ' 333' ' ' ARG . 8.3 tm0? -85.75 127.65 34.59 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.654 -0.869 . . . . 1.3700000000000001 108.654 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.86 111.48 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.478 -0.764 . . . . 0.46999999999999997 109.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.533 ' NH2' ' H ' ' C' ' 325' ' ' GLY . 59.6 ttt180 -73.84 151.95 40.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.727 . . . . 2.1000000000000001 109.618 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.93 127.06 1.93 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.761 -1.336 . . . . 0.41999999999999998 109.761 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.57 -36.45 44.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.278 -1.13 . . . . 2.6800000000000002 109.24 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.18 -50.64 72.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 2.2200000000000002 109.483 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.3 87.15 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.215 -0.928 . . . . 2.77 109.75 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -50.99 -53.46 33.0 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.172 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -55.47 -37.13 67.38 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.403 -0.81 . . . . 1.6599999999999999 109.246 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.39 -52.92 59.62 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 0.44 110.411 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.108 -0.995 . . . . 0.28999999999999998 109.286 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.27 -42.52 61.15 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.14 -0.975 . . . . 2.4399999999999999 109.56 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.7 -44.74 93.56 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.276 -0.89 . . . . 1.74 110.133 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.49 -42.6 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.049 -1.032 . . . . 0.29999999999999999 109.394 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.59 -49.04 78.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.907 . . . . 1.22 109.605 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.16 -40.81 98.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 1.72 110.278 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.9 -59.01 5.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.27000000000000002 110.154 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.8 -40.16 91.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.278 -0.889 . . . . 0.28999999999999998 109.475 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -61.01 -36.84 80.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 1.9099999999999999 108.959 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.01 -47.82 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.40999999999999998 108.981 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.24 66.29 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.868 0.842 . . . . 1.5600000000000001 109.058 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.71 -32.69 63.54 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.807 -0.558 . . . . 1.4299999999999999 109.823 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.94 79.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.153 -0.967 . . . . 0.66000000000000003 109.599 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.412 HE22 HD11 ' B' ' 350' ' ' LEU . 17.7 mt-30 -81.71 -2.55 50.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 1.1799999999999999 109.669 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.95 4.03 1.72 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.165 -0.959 . . . . 1.23 109.719 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 -22.94 50.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.407 -1.477 . . . . 1.54 109.407 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -87.51 163.44 16.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -1.163 . . . . 4.1799999999999997 109.168 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.41 151.34 3.93 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 5.71 109.018 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.91 165.88 4.51 Favored 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.17 1.247 . . . . 5.6100000000000003 109.852 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.018 -1.435 . . . . 7.2400000000000002 109.515 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.446 -0.575 . . . . 7.3399999999999999 109.446 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.58 69.37 0.73 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 7.1699999999999999 109.465 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' B' ' 323' ' ' LEU . 61.0 mttm 52.07 83.38 0.23 Allowed Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.252 -0.905 . . . . 6.4400000000000004 109.189 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -61.89 2.73 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.866 0 C-N-CA 121.085 1.19 . . . . 4.54 110.359 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.4 mt -82.18 93.3 7.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.088 -1.007 . . . . 4.3200000000000003 108.882 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.44 112.44 19.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.477 -0.765 . . . . 2.4700000000000002 109.928 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' H ' ' NH2' ' D' ' 333' ' ' ARG . . . -70.53 149.73 47.24 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.155 -1.578 . . . . 0.94999999999999996 109.155 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.76 125.3 23.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -1.158 . . . . 1.6100000000000001 109.572 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.52 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 34.8 m-85 -94.03 147.91 22.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.287 -0.883 . . . . 0.56999999999999995 109.484 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.459 ' H ' HE21 ' D' ' 331' ' ' GLN . 81.6 m-85 -136.0 -172.94 3.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.249 -0.907 . . . . 0.53000000000000003 109.478 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -150.34 148.37 28.73 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.301 -0.875 . . . . 0.38 108.769 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.69 136.02 33.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.343 -0.848 . . . . 0.35999999999999999 109.74 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.47 HE22 ' N ' ' B' ' 333' ' ' ARG . 8.3 tm0? -85.67 127.62 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.79 111.41 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.457 -0.777 . . . . 0.48999999999999999 109.227 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.551 ' NH2' ' H ' ' D' ' 325' ' ' GLY . 59.5 ttt180 -73.8 151.92 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.478 -0.764 . . . . 2.1000000000000001 109.65 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.96 127.22 1.96 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.772 -1.331 . . . . 0.44 109.772 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -78.79 -36.46 42.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -1.161 . . . . 2.7200000000000002 109.178 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -60.12 -50.71 72.63 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.261 -0.899 . . . . 2.21 109.449 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' B' ' 337' ' ' ARG . 23.2 ttm-85 -64.82 -37.24 86.96 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.283 -0.886 . . . . 2.79 109.779 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -51.13 -53.3 35.58 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.373 -0.83 . . . . 0.45000000000000001 109.198 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.51 -37.18 67.54 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.331 -0.856 . . . . 1.6799999999999999 109.173 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.9 ttp -63.36 -52.85 60.05 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.547 -0.721 . . . . 0.42999999999999999 110.427 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.89 -45.89 91.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.088 -1.008 . . . . 0.28000000000000003 109.21 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.21 -42.57 61.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.268 -0.895 . . . . 2.52 109.613 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.55 -44.8 93.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.251 -0.906 . . . . 1.75 110.23 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.54 -42.56 96.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 0.31 109.446 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -58.47 -49.18 78.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.21 109.649 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -62.99 -40.92 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.864 . . . . 1.6899999999999999 110.314 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.528 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.89 -58.96 6.1 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.27000000000000002 110.133 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.86 -40.17 91.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.315 -0.866 . . . . 0.29999999999999999 109.434 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.93 -36.86 80.41 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.064 -1.023 . . . . 1.9299999999999999 109.05 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.412 HD11 HE22 ' A' ' 354' ' ' GLN . 29.9 tp -63.03 -47.89 81.11 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.40000000000000002 108.987 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.49 -51.3 66.18 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.861 0.839 . . . . 1.5900000000000001 108.978 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -55.78 -32.61 63.62 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.762 -0.586 . . . . 1.4299999999999999 109.748 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.89 79.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.241 -0.912 . . . . 0.65000000000000002 109.563 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -81.83 -2.46 51.06 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.333 -0.854 . . . . 1.1899999999999999 109.631 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 4.07 1.76 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.184 -0.948 . . . . 1.22 109.631 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 -22.83 50.16 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.391 -1.484 . . . . 1.53 109.391 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -87.58 163.51 16.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -1.144 . . . . 4.21 109.108 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.48 151.36 3.99 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.129 -0.982 . . . . 5.6799999999999997 108.976 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.86 165.91 4.43 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 121.099 1.2 . . . . 5.5700000000000003 109.834 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.983 -1.454 . . . . 7.2000000000000002 109.518 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.468 -0.568 . . . . 8.9600000000000009 109.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.62 69.17 0.75 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 8.1500000000000004 109.462 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' C' ' 323' ' ' LEU . 61.2 mttm 52.24 83.36 0.23 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 7.1500000000000004 109.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -61.81 2.71 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 121.138 1.225 . . . . 4.3499999999999996 110.331 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.4 mt -82.24 93.33 7.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.972 -1.08 . . . . 4.6299999999999999 108.948 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.52 112.27 19.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.494 -0.754 . . . . 2.8500000000000001 109.979 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.533 ' H ' ' NH2' ' A' ' 333' ' ' ARG . . . -70.21 149.68 47.67 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.203 -1.559 . . . . 1.1200000000000001 109.203 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -59.73 125.31 23.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -1.125 . . . . 2.1099999999999999 109.573 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 34.4 m-85 -94.08 147.9 22.69 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.273 -0.892 . . . . 0.64000000000000001 109.431 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.456 ' H ' HE21 ' A' ' 331' ' ' GLN . 81.4 m-85 -135.98 -172.91 3.24 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.358 -0.839 . . . . 0.48999999999999999 109.541 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -150.31 148.48 28.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.235 -0.915 . . . . 0.46999999999999997 108.773 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.1 tp -139.75 136.05 33.73 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.379 -0.826 . . . . 0.41999999999999998 109.774 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.453 HE22 ' N ' ' C' ' 333' ' ' ARG . 8.4 tm0? -85.65 127.68 34.56 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.692 -0.855 . . . . 1.8100000000000001 108.692 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 111.34 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.513 -0.742 . . . . 0.41999999999999998 109.217 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.513 ' NH2' ' H ' ' A' ' 325' ' ' GLY . 59.4 ttt180 -73.69 151.96 40.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.546 -0.721 . . . . 2.3500000000000001 109.571 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.85 127.12 1.91 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.761 -1.336 . . . . 0.40999999999999998 109.761 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.64 -36.5 43.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.246 -1.15 . . . . 2.5899999999999999 109.239 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.18 -50.64 72.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.228 -0.92 . . . . 2.54 109.439 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.471 HH11 ' HG3' ' C' ' 337' ' ' ARG . 23.3 ttm-85 -64.87 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.243 -0.911 . . . . 3.3900000000000001 109.747 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.43 33.2 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.46999999999999997 109.228 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -55.46 -37.18 67.41 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.227 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.32 -52.9 60.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.402 -0.811 . . . . 0.60999999999999999 110.448 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.87 -45.87 91.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.089 -1.007 . . . . 0.33000000000000002 109.244 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.18 -42.59 60.95 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.169 -0.957 . . . . 3.2799999999999998 109.632 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.59 -44.79 93.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.311 -0.868 . . . . 1.78 110.161 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.56 -42.6 96.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.955 . . . . 0.38 109.335 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.14 78.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.226 -0.921 . . . . 1.2 109.638 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.05 -40.78 98.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.374 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.87 -59.04 5.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 0.26000000000000001 110.158 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.82 -40.12 91.59 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.328 -0.858 . . . . 0.40000000000000002 109.476 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -60.93 -36.89 80.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.014 -1.054 . . . . 2.0899999999999999 109.009 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.411 HD11 HE22 ' D' ' 354' ' ' GLN . 29.9 tp -63.04 -47.9 81.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.348 -0.845 . . . . 0.75 108.929 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -63.53 -51.24 66.33 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.784 0.802 . . . . 2.1899999999999999 108.957 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -55.8 -32.62 63.67 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.84 -0.538 . . . . 1.3400000000000001 109.831 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -44.95 79.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 0.71999999999999997 109.58 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -81.72 -2.58 51.1 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 1.8 109.619 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.0 4.14 1.68 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.3899999999999999 109.698 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 -22.77 50.13 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.384 -1.486 . . . . 1.6599999999999999 109.384 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -87.59 163.47 16.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -1.139 . . . . 4.4500000000000002 109.096 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -50.43 151.35 3.94 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.103 -0.998 . . . . 6.1900000000000004 109.03 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.91 165.9 4.49 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 121.035 1.157 . . . . 5.5800000000000001 109.869 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.507 -1.437 . . . . 6.9000000000000004 109.507 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.315 0.579 . . . . 7.3600000000000003 109.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 55.8 mttm 54.59 69.26 0.74 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.896 . . . . 7.1500000000000004 109.521 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' D' ' 323' ' ' LEU . 61.0 mttm 52.11 83.31 0.23 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.962 . . . . 6.5 109.191 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.73 2.71 0.5 Allowed 'Trans proline' 0 C--N 1.322 -0.854 0 C-N-CA 121.204 1.269 . . . . 4.5 110.348 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.6 mt -82.28 93.29 7.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.034 -1.041 . . . . 4.3200000000000003 108.879 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.46 112.37 19.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.474 -0.767 . . . . 2.46 109.99 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.551 ' H ' ' NH2' ' B' ' 333' ' ' ARG . . . -70.35 149.75 47.55 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.214 -1.554 . . . . 0.96999999999999997 109.214 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -59.76 125.34 23.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -1.084 . . . . 1.6699999999999999 109.549 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 34.3 m-85 -94.05 147.95 22.64 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.916 . . . . 0.60999999999999999 109.468 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.46 ' H ' HE21 ' B' ' 331' ' ' GLN . 81.4 m-85 -136.02 -173.01 3.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.289 -0.882 . . . . 0.56000000000000005 109.549 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -150.34 148.39 28.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.863 . . . . 0.42999999999999999 108.782 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -139.68 136.21 34.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 0.34999999999999998 109.671 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.459 HE21 ' H ' ' B' ' 328' ' ' PHE . 8.4 tm0? -85.78 127.64 34.6 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.2 mt -123.81 111.43 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.513 -0.742 . . . . 0.47999999999999998 109.225 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.559 ' NH2' ' H ' ' B' ' 325' ' ' GLY . 59.5 ttt180 -73.81 151.99 40.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 2.0800000000000001 109.622 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 127.17 1.92 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.801 -1.32 . . . . 0.40000000000000002 109.801 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -78.66 -36.54 43.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -1.136 . . . . 2.6400000000000001 109.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -60.15 -50.63 72.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.247 -0.908 . . . . 2.2200000000000002 109.468 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' HH11 ' D' ' 337' ' ' ARG . 23.1 ttm-85 -64.84 -37.29 87.12 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.275 -0.89 . . . . 2.7400000000000002 109.794 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.97 -53.4 33.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 109.287 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -55.47 -37.1 67.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.296 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.8 ttp -63.37 -52.91 59.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.395 -0.816 . . . . 0.42999999999999999 110.435 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.83 -45.81 91.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.093 -1.004 . . . . 0.27000000000000002 109.312 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.54 61.13 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.146 -0.971 . . . . 2.4500000000000002 109.631 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.71 -44.7 93.6 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.349 -0.844 . . . . 1.75 110.142 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.55 -42.55 96.78 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.31 109.408 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -58.52 -49.17 78.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.3 -0.875 . . . . 1.22 109.625 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.04 -40.86 98.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 1.73 110.345 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.78 -59.14 5.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.206 -0.934 . . . . 0.28000000000000003 110.091 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.69 -40.21 91.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.31 109.511 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -61.02 -36.79 80.46 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.108 -0.995 . . . . 1.9099999999999999 109.029 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.04 -47.83 81.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.303 -0.873 . . . . 0.42999999999999999 108.981 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -63.53 -51.35 65.83 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.86 0.838 . . . . 1.5700000000000001 108.973 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.69 -32.63 63.45 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.774 -0.579 . . . . 1.4399999999999999 109.843 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.98 79.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.64000000000000001 109.547 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.411 HE22 HD11 ' C' ' 350' ' ' LEU . 17.6 mt-30 -81.79 -2.52 51.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.898 . . . . 1.21 109.639 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.95 4.08 1.7 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.883 . . . . 1.22 109.664 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 -22.83 50.26 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.441 -1.464 . . . . 1.5 109.441 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -87.55 163.49 16.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 4.1799999999999997 109.112 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -50.42 151.34 3.93 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 5.6699999999999999 109.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.85 165.82 4.51 Favored 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 121.14 1.227 . . . . 5.6500000000000004 109.882 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.468 -1.453 . . . . 7.2699999999999996 109.468 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.539 -0.541 . . . . 7.3300000000000001 109.539 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 53.1 tttm 56.34 66.5 1.18 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.91 . . . . 7.21 109.624 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 53.82 67.18 3.76 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.322 -0.861 . . . . 6.4699999999999998 109.954 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.99 152.47 79.23 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 121.423 1.416 . . . . 4.5300000000000002 109.711 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 33.6 mt -80.35 103.2 10.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.139 -0.976 . . . . 4.3499999999999996 109.117 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.38 142.15 33.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 2.48 109.695 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.91 167.54 45.54 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.291 -1.524 . . . . 0.97999999999999998 109.291 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -58.62 139.81 55.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -1.206 . . . . 1.7 109.543 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.09 157.78 16.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.28 -0.887 . . . . 0.60999999999999999 109.39 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.05 -171.67 3.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.381 -0.825 . . . . 0.57999999999999996 109.241 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -152.01 147.16 26.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.186 -0.946 . . . . 0.41999999999999998 108.783 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.59 132.77 26.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.355 -0.841 . . . . 0.35999999999999999 109.65 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.0 130.76 34.57 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.591 -0.892 . . . . 1.3700000000000001 108.591 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.51 116.73 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.546 -0.721 . . . . 0.46999999999999997 109.51 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.34 149.82 40.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.679 -0.638 . . . . 2.1000000000000001 109.645 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.4 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.136 -1.185 . . . . 0.41999999999999998 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -84.27 -45.66 12.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -1.125 . . . . 2.6800000000000002 109.327 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.9 -42.16 84.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 2.2200000000000002 109.078 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.59 -43.81 97.88 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.227 -0.921 . . . . 2.77 108.974 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.66 -53.7 53.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.635 -0.665 . . . . 0.42999999999999999 109.692 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.89 -39.66 59.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.384 -0.823 . . . . 1.6599999999999999 110.062 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.63 -49.81 73.71 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.222 -0.924 . . . . 0.44 110.252 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.0 -41.49 96.61 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 0.28999999999999998 109.112 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.09 -44.04 64.19 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.24 -0.912 . . . . 2.4399999999999999 109.651 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.21 -53.59 55.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 1.74 109.937 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.87 -37.74 80.18 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.124 -0.985 . . . . 0.29999999999999999 108.829 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.416 ' O ' ' OE1' ' A' ' 349' ' ' GLU . 22.7 t-20 -59.76 -56.91 15.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.364 -0.835 . . . . 1.22 109.568 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.86 71.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.929 . . . . 1.72 110.125 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -46.37 86.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.27000000000000002 109.856 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.93 -51.01 68.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.28999999999999998 109.879 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 345' ' ' ASN . 2.8 mp0 -57.06 -34.13 67.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 1.9099999999999999 109.558 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.21 -46.77 85.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.125 -0.984 . . . . 0.40999999999999998 108.945 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.61 -52.3 61.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.375 -0.828 . . . . 1.5600000000000001 108.944 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.05 -30.94 66.56 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.638 -0.664 . . . . 1.4299999999999999 109.61 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.14 84.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.197 -0.939 . . . . 0.66000000000000003 110.008 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -81.61 -7.06 59.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.165 -0.959 . . . . 1.1799999999999999 109.852 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.39 -20.32 61.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 1.23 109.366 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 40.99 3.03 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.637 -1.385 . . . . 1.54 109.637 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.2 18.81 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.117 -1.225 . . . . 4.1799999999999997 109.601 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.52 164.02 0.54 Allowed Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.395 -0.816 . . . . 5.71 108.903 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.32 147.01 79.71 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 121.419 1.413 . . . . 5.6100000000000003 109.767 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.491 -1.444 . . . . 7.2400000000000002 109.491 179.874 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.445 -0.576 . . . . 7.3399999999999999 109.445 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 53.3 tttm 56.34 66.44 1.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.323 -0.86 . . . . 7.1699999999999999 109.673 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 53.88 67.23 3.7 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 6.4400000000000004 109.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.01 152.45 79.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.468 1.445 . . . . 4.54 109.72 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 33.8 mt -80.3 103.22 10.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.963 . . . . 4.3200000000000003 109.15 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.41 142.14 33.26 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.396 -0.815 . . . . 2.4700000000000002 109.643 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.94 167.62 45.52 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.217 -1.553 . . . . 0.94999999999999996 109.217 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.7 139.89 55.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.218 -1.166 . . . . 1.6100000000000001 109.574 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -93.13 157.74 16.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.56999999999999995 109.386 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.55 2.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -0.801 . . . . 0.53000000000000003 109.212 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.1 147.51 26.55 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.287 -0.883 . . . . 0.38 108.742 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.93 132.68 25.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 0.35999999999999999 109.642 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -85.09 130.81 34.55 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.493 -0.928 . . . . 1.3600000000000001 108.493 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.4 mt -123.62 116.65 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.459 -0.776 . . . . 0.48999999999999999 109.456 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.25 149.8 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.596 -0.69 . . . . 2.1000000000000001 109.711 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.39 138.38 2.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.124 -1.19 . . . . 0.44 110.124 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -84.25 -45.63 12.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -1.086 . . . . 2.7200000000000002 109.35 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.04 -41.99 84.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 2.21 109.031 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.67 -43.86 97.74 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.33 -0.856 . . . . 2.79 108.939 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.66 -53.73 52.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.61 -0.681 . . . . 0.45000000000000001 109.652 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.76 59.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 1.6799999999999999 110.038 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.5 ttp -62.61 -49.78 73.85 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.201 -0.937 . . . . 0.42999999999999999 110.216 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -41.53 96.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.133 -0.979 . . . . 0.28000000000000003 109.134 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.18 -43.89 64.37 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.19 -0.944 . . . . 2.52 109.718 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.21 -53.66 55.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 1.75 109.903 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 47.7 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.19 -0.943 . . . . 0.31 108.82 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' B' ' 349' ' ' GLU . 22.6 t-20 -59.82 -56.87 16.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.43 -0.794 . . . . 1.21 109.522 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.42 -31.84 71.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.307 -0.871 . . . . 1.6899999999999999 110.031 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -46.37 87.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.27000000000000002 109.915 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.91 -51.17 67.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.29999999999999999 109.817 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' B' ' 345' ' ' ASN . 2.8 mp0 -56.81 -34.22 67.48 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.079 -1.013 . . . . 1.9299999999999999 109.586 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.29 -46.7 85.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.021 -1.049 . . . . 0.40000000000000002 108.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -63.69 -52.16 61.87 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.426 -0.796 . . . . 1.5900000000000001 108.991 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.04 -31.04 66.64 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.71 -0.619 . . . . 1.4299999999999999 109.604 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.15 84.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 0.65000000000000002 110.002 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -81.67 -7.05 59.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.179 -0.951 . . . . 1.1899999999999999 109.828 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -20.32 61.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 1.22 109.351 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 40.95 3.03 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.655 -1.378 . . . . 1.53 109.655 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -86.22 109.23 18.78 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.198 -1.178 . . . . 4.21 109.674 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.56 164.01 0.55 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.254 -0.903 . . . . 5.6799999999999997 108.912 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -57.39 146.93 80.66 Favored 'Trans proline' 0 C--N 1.32 -0.96 0 C-N-CA 121.387 1.391 . . . . 5.5700000000000003 109.86 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.492 -1.443 . . . . 7.2000000000000002 109.492 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.458 -0.571 . . . . 8.9600000000000009 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 56.35 66.56 1.16 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.285 -0.884 . . . . 8.1500000000000004 109.638 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 80.3 tttt 53.73 67.25 3.74 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 7.1500000000000004 109.981 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.01 152.42 79.58 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.444 1.429 . . . . 4.3499999999999996 109.7 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.24 103.27 10.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.134 -0.979 . . . . 4.6299999999999999 109.141 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -81.39 142.13 33.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.415 -0.803 . . . . 2.8500000000000001 109.681 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 167.6 45.66 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.233 -1.547 . . . . 1.1200000000000001 109.233 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -58.72 139.84 55.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -1.202 . . . . 2.1099999999999999 109.567 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -93.06 157.7 16.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.277 -0.889 . . . . 0.64000000000000001 109.414 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.04 -171.69 3.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.448 -0.782 . . . . 0.48999999999999999 109.233 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -151.95 147.36 26.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.306 -0.871 . . . . 0.46999999999999997 108.738 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -141.77 132.69 25.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.338 -0.852 . . . . 0.41999999999999998 109.657 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -84.93 130.79 34.58 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.566 -0.901 . . . . 1.8100000000000001 108.566 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.5 mt -123.59 116.7 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.461 -0.774 . . . . 0.41999999999999998 109.451 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.3 149.89 40.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.577 -0.702 . . . . 2.3500000000000001 109.691 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 138.36 2.87 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.184 -1.166 . . . . 0.40999999999999998 110.184 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -84.27 -45.63 12.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.421 -1.047 . . . . 2.5899999999999999 109.36 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.99 -42.17 84.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 2.54 109.034 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.62 -43.8 97.9 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.37 -0.831 . . . . 3.3900000000000001 108.899 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.63 -53.72 52.97 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.627 -0.671 . . . . 0.46999999999999997 109.668 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.81 -39.77 59.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.02 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.64 -49.78 73.83 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.164 -0.96 . . . . 0.60999999999999999 110.233 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.04 -41.49 96.68 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.069 -1.019 . . . . 0.33000000000000002 109.081 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.1 -44.02 64.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 3.2799999999999998 109.685 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.05 -53.72 54.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.182 -0.949 . . . . 1.78 109.918 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.83 -37.77 80.15 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.16 -0.962 . . . . 0.38 108.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' C' ' 349' ' ' GLU . 22.7 t-20 -59.77 -56.88 16.36 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.392 -0.818 . . . . 1.2 109.54 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.4 -31.81 71.74 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 2.1200000000000001 110.078 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -46.43 86.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.26000000000000001 109.889 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.85 -51.24 67.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.40000000000000002 109.824 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' C' ' 345' ' ' ASN . 2.8 mp0 -56.84 -34.17 67.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 2.0899999999999999 109.537 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.33 -46.73 85.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.066 -1.021 . . . . 0.75 108.882 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.55 -52.28 61.8 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.438 -0.788 . . . . 2.1899999999999999 109.018 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.91 -31.06 66.41 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.693 -0.629 . . . . 1.3400000000000001 109.633 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.08 83.93 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.219 -0.926 . . . . 0.71999999999999997 109.988 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.408 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 48.6 mt-30 -81.69 -6.97 59.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 1.8 109.836 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -20.33 61.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.185 -0.947 . . . . 1.3899999999999999 109.359 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 40.93 3.03 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.637 -1.385 . . . . 1.6599999999999999 109.637 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.23 18.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.136 -1.214 . . . . 4.4500000000000002 109.578 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.55 164.03 0.55 Allowed Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 121.3 -0.875 . . . . 6.1900000000000004 108.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.38 147.08 79.71 Favored 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 121.36 1.373 . . . . 5.5800000000000001 109.765 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.486 -1.446 . . . . 6.9000000000000004 109.486 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.56 -0.533 . . . . 7.3600000000000003 109.56 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 56.3 66.51 1.18 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.318 -0.864 . . . . 7.1500000000000004 109.644 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 80.2 tttt 53.83 67.13 3.8 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.28 -0.887 . . . . 6.5 109.956 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -62.99 152.43 79.42 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 121.373 1.382 . . . . 4.5 109.795 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.24 103.24 9.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 4.3200000000000003 109.17 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -81.37 142.18 33.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.416 -0.802 . . . . 2.46 109.701 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 167.64 45.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.243 -1.543 . . . . 0.96999999999999997 109.243 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 139.74 55.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.155 -1.203 . . . . 1.6699999999999999 109.608 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.01 157.69 16.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.60999999999999999 109.383 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.01 -171.6 2.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.56000000000000005 109.244 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -152.02 147.51 26.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.271 -0.893 . . . . 0.42999999999999999 108.799 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.9 tp -141.88 132.76 25.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.326 -0.859 . . . . 0.34999999999999998 109.651 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -85.12 130.78 34.55 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.493 -0.928 . . . . 1.3700000000000001 108.493 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.64 116.7 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.472 -0.768 . . . . 0.47999999999999998 109.448 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -74.33 149.79 40.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.66 -0.65 . . . . 2.0800000000000001 109.714 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 138.47 2.92 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.147 -1.181 . . . . 0.40000000000000002 110.147 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -84.19 -45.74 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -1.097 . . . . 2.6400000000000001 109.351 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.87 -42.17 83.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.2200000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.63 -43.84 97.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 2.7400000000000002 108.882 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.72 -53.7 53.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.645 -0.659 . . . . 0.42999999999999999 109.605 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -51.84 -39.78 59.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.86 . . . . 1.6899999999999999 110.02 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 24.4 ttp -62.54 -49.89 73.53 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.242 -0.911 . . . . 0.42999999999999999 110.167 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -61.0 -41.43 96.5 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.971 . . . . 0.27000000000000002 109.124 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -52.14 -43.99 64.32 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.285 -0.884 . . . . 2.4500000000000002 109.69 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.11 -53.71 54.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.192 -0.943 . . . . 1.75 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.87 -37.79 80.34 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.31 108.825 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.41 ' O ' ' OE1' ' D' ' 349' ' ' GLU . 22.7 t-20 -59.78 -56.94 15.54 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.431 -0.793 . . . . 1.22 109.489 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.3 -31.93 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.73 110.088 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.43 -46.47 86.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.28000000000000003 109.938 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.89 -50.96 68.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.192 -0.943 . . . . 0.31 109.902 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' D' ' 345' ' ' ASN . 2.8 mp0 -57.11 -34.05 67.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 1.9099999999999999 109.547 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 26.9 tp -63.24 -46.83 85.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.007 -1.058 . . . . 0.42999999999999999 108.919 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -63.62 -52.16 62.07 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.442 -0.786 . . . . 1.5700000000000001 108.984 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -58.06 -30.91 66.56 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.659 -0.651 . . . . 1.4399999999999999 109.637 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -42.1 83.72 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.312 -0.867 . . . . 0.64000000000000001 109.983 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.408 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 48.6 mt-30 -81.64 -7.1 59.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 1.21 109.801 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.35 -20.4 61.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.05 -1.031 . . . . 1.22 109.388 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 40.94 3.03 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.602 -1.399 . . . . 1.5 109.602 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.31 109.3 18.88 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.216 -1.167 . . . . 4.1799999999999997 109.567 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 164.01 0.55 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.3 -0.875 . . . . 5.6699999999999999 108.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.41 147.05 80.16 Favored 'Trans proline' 0 C--N 1.32 -0.945 0 C-N-CA 121.315 1.343 . . . . 5.6500000000000004 109.792 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.975 -1.459 . . . . 7.2699999999999996 109.503 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.5 -0.556 . . . . 7.3300000000000001 109.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.35 63.33 2.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.32 -0.863 . . . . 7.21 109.703 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 323' ' ' LEU . 78.0 mttt 54.32 68.6 2.6 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 6.4699999999999998 109.777 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.51 14.98 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.557 1.505 . . . . 4.5300000000000002 110.344 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.0 mt -79.73 109.41 14.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.928 -1.107 . . . . 4.3499999999999996 109.469 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -81.47 -157.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.354 -0.841 . . . . 2.48 109.787 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.22 -178.05 18.09 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.894 -1.282 . . . . 0.97999999999999998 109.894 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.96 136.56 58.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -1.039 . . . . 1.7 109.741 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.06 157.89 15.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.261 -0.9 . . . . 0.60999999999999999 109.677 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.324 -0.86 . . . . 0.57999999999999996 109.122 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.8 p -96.01 160.63 14.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.28 -0.888 . . . . 0.41999999999999998 109.2 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.31 135.81 20.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.35999999999999999 110.105 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.7 130.34 34.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 1.3700000000000001 108.887 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.84 114.25 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 CA-C-O 121.576 0.703 . . . . 0.46999999999999997 109.436 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -76.26 146.29 39.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 2.1000000000000001 110.008 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.68 6.97 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.537 -1.025 . . . . 0.41999999999999998 110.537 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.421 ' O ' ' OE2' ' A' ' 339' ' ' GLU . 27.6 ttm180 -85.2 -45.78 11.69 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.403 -1.057 . . . . 2.6800000000000002 109.31 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.6 80.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.143 -0.973 . . . . 2.2200000000000002 109.264 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.0 -39.24 94.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.44 -0.787 . . . . 2.77 109.855 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -54.29 -59.48 4.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.378 -0.826 . . . . 0.42999999999999999 110.341 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 339' ' ' GLU . 4.9 mp0 -51.56 -34.83 38.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.137 -0.977 . . . . 1.6599999999999999 110.021 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.53 -52.54 57.19 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.211 -0.93 . . . . 0.44 110.219 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.48 -45.22 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.28999999999999998 108.982 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -50.99 -43.94 60.78 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.376 -0.828 . . . . 2.4399999999999999 109.532 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.55 -48.21 82.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 1.74 109.941 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.51 -41.55 97.48 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.29999999999999999 109.329 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.59 -51.0 71.77 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 1.22 109.538 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.14 -36.87 85.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.865 . . . . 1.72 109.708 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.9 -49.09 79.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.898 . . . . 0.27000000000000002 109.928 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -48.0 82.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.114 -0.991 . . . . 0.28999999999999998 109.489 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.76 72.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.619 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.04 -50.38 68.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.40999999999999998 109.346 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.16 -47.32 80.3 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.407 -0.808 . . . . 1.5600000000000001 109.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.77 -35.28 72.52 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.593 -0.692 . . . . 1.4299999999999999 109.645 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -48.12 68.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.66000000000000003 109.88 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.4 ' OE1' ' OE1' ' B' ' 354' ' ' GLN . 22.6 mt-30 -81.66 -2.93 52.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.34 -0.85 . . . . 1.1799999999999999 109.983 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -9.79 58.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 1.23 109.493 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 26.64 5.61 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.697 -1.361 . . . . 1.54 109.697 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.6 38.85 0.76 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.165 -1.197 . . . . 4.1799999999999997 109.469 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.05 153.69 3.02 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.28 -0.887 . . . . 5.71 109.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.26 132.22 50.96 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 C-N-CA 121.034 1.156 . . . . 5.6100000000000003 109.861 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 CA-C-O 117.966 -1.463 . . . . 7.2400000000000002 109.531 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.492 -0.558 . . . . 7.3399999999999999 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.26 63.4 2.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.305 -0.872 . . . . 7.1699999999999999 109.661 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' B' ' 323' ' ' LEU . 78.1 mttt 54.37 68.52 2.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.33 -0.856 . . . . 6.4400000000000004 109.758 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.42 15.01 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.525 1.483 . . . . 4.54 110.409 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.0 mt -79.83 109.38 14.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.957 -1.09 . . . . 4.3200000000000003 109.464 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -81.44 -157.36 0.17 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.382 -0.824 . . . . 2.4700000000000002 109.794 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.33 -178.17 18.96 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.898 -1.281 . . . . 0.94999999999999996 109.898 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -59.86 136.61 58.06 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.46 -1.023 . . . . 1.6100000000000001 109.815 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -95.99 157.93 15.67 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.703 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.27 139.15 33.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.362 -0.836 . . . . 0.53000000000000003 109.045 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.1 p -95.87 160.58 14.4 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.879 . . . . 0.38 109.194 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.4 tp -148.3 135.86 20.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.35999999999999999 110.025 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.63 130.4 34.58 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.806 -0.813 . . . . 1.3600000000000001 108.806 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.8 mt -123.88 114.32 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 CA-C-O 121.539 0.685 . . . . 0.48999999999999999 109.448 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.27 146.3 39.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.561 -0.712 . . . . 2.1000000000000001 109.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.58 6.9 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.579 -1.009 . . . . 0.44 110.579 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' B' ' 339' ' ' GLU . 27.6 ttm180 -85.12 -45.81 11.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 2.7200000000000002 109.339 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.89 -42.59 80.11 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.088 -1.008 . . . . 2.21 109.236 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.09 -39.09 93.69 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.45 -0.781 . . . . 2.79 109.892 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.45 -59.39 4.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.801 . . . . 0.45000000000000001 110.371 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.9 mp0 -51.53 -34.91 38.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.112 -0.992 . . . . 1.6799999999999999 109.965 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.52 -52.56 57.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.246 -0.908 . . . . 0.42999999999999999 110.211 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.46 -45.2 95.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.134 -0.979 . . . . 0.28000000000000003 109.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.03 -43.91 60.98 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.393 -0.817 . . . . 2.52 109.547 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -60.49 -48.26 82.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 1.75 109.96 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.51 -41.53 97.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.95 . . . . 0.31 109.311 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -51.07 71.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 1.21 109.424 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.05 -36.82 84.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.94 . . . . 1.6899999999999999 109.712 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.579 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -49.05 79.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 0.27000000000000002 109.876 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.83 -47.99 82.58 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 0.29999999999999999 109.51 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.19 -34.81 72.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.229 -0.92 . . . . 1.9299999999999999 109.602 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 39.7 tp -64.04 -50.44 68.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.40000000000000002 109.339 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.34 80.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.441 -0.787 . . . . 1.5900000000000001 109.097 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.8 -35.11 72.31 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.771 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -48.02 68.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.65000000000000002 109.903 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.4 ' OE1' ' OE1' ' A' ' 354' ' ' GLN . 22.6 mt-30 -81.69 -2.92 52.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 1.1899999999999999 109.983 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.29 -9.84 58.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.131 -0.981 . . . . 1.22 109.405 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 26.65 5.59 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.697 -1.361 . . . . 1.53 109.697 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.57 38.76 0.76 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.186 -1.185 . . . . 4.21 109.456 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.98 153.71 2.92 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 5.6799999999999997 108.989 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.32 132.26 51.19 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.014 1.142 . . . . 5.5700000000000003 109.809 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.992 -1.449 . . . . 7.2000000000000002 109.52 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 83.2 mttt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.493 -0.558 . . . . 8.9600000000000009 109.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp 52.42 63.39 2.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 8.1500000000000004 109.591 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.506 ' C ' ' H ' ' C' ' 323' ' ' LEU . 78.1 mttt 54.3 68.48 2.69 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.309 -0.869 . . . . 7.1500000000000004 109.806 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.38 14.92 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.593 1.529 . . . . 4.3499999999999996 110.346 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.0 mt -79.71 109.47 14.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.004 -1.06 . . . . 4.6299999999999999 109.473 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -81.51 -157.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 2.8500000000000001 109.732 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.3 -178.12 18.7 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.825 -1.31 . . . . 1.1200000000000001 109.825 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.87 136.49 58.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.4 -1.059 . . . . 2.1099999999999999 109.811 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.98 157.96 15.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.181 -0.949 . . . . 0.64000000000000001 109.607 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.25 139.29 33.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.319 -0.863 . . . . 0.48999999999999999 109.086 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -95.93 160.7 14.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.268 -0.895 . . . . 0.46999999999999997 109.189 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -148.4 135.78 20.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.41999999999999998 110.061 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.65 130.4 34.58 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.799 -0.815 . . . . 1.8100000000000001 108.799 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.2 mt -123.9 114.21 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.516 -0.74 . . . . 0.41999999999999998 109.416 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.2 146.27 39.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.582 -0.699 . . . . 2.3500000000000001 110.094 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 140.62 6.94 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 110.561 -1.015 . . . . 0.40999999999999998 110.561 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.417 ' O ' ' OE2' ' C' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.74 11.76 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.46 -1.024 . . . . 2.5899999999999999 109.352 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.92 -42.59 80.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 2.54 109.303 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -63.16 -39.05 93.54 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.473 -0.767 . . . . 3.3900000000000001 109.836 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -54.37 -59.53 4.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.456 -0.778 . . . . 0.46999999999999997 110.334 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' C' ' 339' ' ' GLU . 4.9 mp0 -51.48 -34.92 37.73 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.209 -0.932 . . . . 1.6599999999999999 109.99 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.49 -52.54 57.34 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.253 -0.904 . . . . 0.60999999999999999 110.224 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -45.18 95.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.113 -0.992 . . . . 0.33000000000000002 109.003 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -50.99 -43.91 60.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.854 . . . . 3.2799999999999998 109.606 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -60.52 -48.19 82.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.241 -0.912 . . . . 1.78 109.976 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.56 -41.56 97.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.38 109.311 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.62 -50.92 72.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 1.2 109.512 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -63.2 -36.88 85.11 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 2.1200000000000001 109.669 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.98 -48.99 79.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.223 -0.923 . . . . 0.26000000000000001 109.929 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.89 -47.99 82.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -0.983 . . . . 0.40000000000000002 109.491 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.23 -34.79 72.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.915 . . . . 2.0899999999999999 109.572 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.417 HD11 HE22 ' D' ' 354' ' ' GLN . 39.7 tp -64.02 -50.37 68.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.322 -0.861 . . . . 0.75 109.391 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.15 -47.29 80.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.337 -0.852 . . . . 2.1899999999999999 109.142 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.81 -35.22 72.51 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.524 -0.735 . . . . 1.3400000000000001 109.728 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -48.06 68.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 0.71999999999999997 109.867 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.482 HE22 HD11 ' D' ' 350' ' ' LEU . 22.7 mt-30 -81.67 -2.81 51.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 1.8 109.972 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.37 -9.81 58.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 1.3899999999999999 109.454 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 26.7 5.57 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.698 -1.361 . . . . 1.6599999999999999 109.698 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -85.7 38.9 0.77 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -1.193 . . . . 4.4500000000000002 109.391 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.07 153.71 3.04 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 6.1900000000000004 108.961 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.28 132.21 50.9 Favored 'Trans proline' 0 C--N 1.323 -0.771 0 C-N-CA 121.108 1.205 . . . . 5.5800000000000001 109.823 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.542 -1.423 . . . . 6.9000000000000004 109.542 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.442 -0.577 . . . . 7.3600000000000003 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp 52.32 63.44 2.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 7.1500000000000004 109.645 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' D' ' 323' ' ' LEU . 78.1 mttt 54.32 68.59 2.61 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 6.5 109.699 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -66.56 15.07 0.11 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.624 1.549 . . . . 4.5 110.355 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' D' ' 321' ' ' LYS . 16.9 mt -79.84 109.44 14.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.93 -1.106 . . . . 4.3200000000000003 109.484 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -81.42 -157.46 0.18 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.847 . . . . 2.46 109.781 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.27 -178.22 18.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.843 -1.303 . . . . 0.96999999999999997 109.843 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -59.77 136.45 58.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -1.101 . . . . 1.6699999999999999 109.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -95.95 157.97 15.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.311 -0.868 . . . . 0.60999999999999999 109.64 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -141.2 139.36 33.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.365 -0.835 . . . . 0.56000000000000005 109.06 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 63.7 p -95.99 160.73 14.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.175 -0.953 . . . . 0.42999999999999999 109.179 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.3 tp -148.47 135.78 20.35 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.129 -0.982 . . . . 0.34999999999999998 110.034 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -85.64 130.45 34.57 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.783 -0.821 . . . . 1.3700000000000001 108.783 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.1 mt -123.92 114.26 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.494 -0.754 . . . . 0.47999999999999998 109.412 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.19 146.25 39.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.511 -0.743 . . . . 2.0800000000000001 110.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.95 140.58 6.93 Favored Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.57 -1.012 . . . . 0.40000000000000002 110.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.41 ' O ' ' OE2' ' D' ' 339' ' ' GLU . 27.5 ttm180 -85.15 -45.8 11.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.39 -1.065 . . . . 2.6400000000000001 109.3 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.87 -42.67 80.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 2.2200000000000002 109.267 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -62.96 -39.28 94.19 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.434 -0.791 . . . . 2.7400000000000002 109.831 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -54.3 -59.45 4.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.429 -0.794 . . . . 0.42999999999999999 110.377 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' D' ' 339' ' ' GLU . 4.9 mp0 -51.49 -34.9 37.84 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.126 -0.983 . . . . 1.6899999999999999 110.02 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -64.51 -52.6 56.99 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.11 -0.994 . . . . 0.42999999999999999 110.168 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -45.09 95.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.001 -1.062 . . . . 0.27000000000000002 109.024 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.13 -43.87 61.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 109.547 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -60.54 -48.23 82.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 1.75 109.96 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.5 -41.58 97.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.18 -0.95 . . . . 0.31 109.31 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -58.58 -50.97 71.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 1.22 109.544 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -63.15 -36.89 85.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.73 109.689 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -48.98 79.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.28000000000000003 109.968 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.97 -47.89 82.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.31 109.506 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -59.22 -34.8 72.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.9099999999999999 109.612 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.482 HD11 HE22 ' C' ' 354' ' ' GLN . 39.8 tp -64.07 -50.35 68.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 109.343 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -64.1 -47.43 80.05 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.279 -0.888 . . . . 1.5700000000000001 109.118 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.74 -35.17 72.29 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.507 -0.745 . . . . 1.4399999999999999 109.762 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.04 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.64000000000000001 109.935 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.429 ' OE1' ' OE1' ' C' ' 354' ' ' GLN . 22.7 mt-30 -81.7 -2.87 52.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -0.893 . . . . 1.21 109.918 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.36 -9.8 58.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.094 -1.004 . . . . 1.22 109.374 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 26.69 5.58 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.675 -1.37 . . . . 1.5 109.675 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -85.69 38.93 0.77 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.243 -1.151 . . . . 4.1799999999999997 109.411 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.11 153.72 3.08 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.88 . . . . 5.6699999999999999 109.0 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.37 132.26 51.17 Favored 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 121.008 1.139 . . . . 5.6500000000000004 109.841 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.964 -1.465 . . . . 7.2699999999999996 109.556 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 320' ' ' LYS . 66.8 mttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.251 -0.648 . . . . 7.3300000000000001 109.251 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 319' ' ' LYS . 68.9 mttt 58.39 154.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.433 -0.792 . . . . 7.21 109.611 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm 51.56 69.94 2.23 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.018 -1.051 . . . . 6.4699999999999998 109.326 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -71.33 46.23 0.72 Allowed 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 121.977 1.785 . . . . 4.5300000000000002 111.32 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 99.4 mt -80.21 102.5 9.48 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.483 -1.385 . . . . 4.3499999999999996 109.198 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -83.09 -146.14 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 2.48 109.645 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 172.37 37.1 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.063 -1.215 . . . . 0.97999999999999998 110.063 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -59.22 134.88 57.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -1.086 . . . . 1.7 109.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -96.05 152.63 18.35 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.60999999999999999 109.153 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -135.35 -172.72 3.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.275 -0.89 . . . . 0.57999999999999996 109.278 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.56 145.55 25.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.218 -0.926 . . . . 0.41999999999999998 108.952 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.2 tp -139.54 134.85 32.77 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.436 -0.79 . . . . 0.35999999999999999 109.77 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -86.36 132.75 33.89 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.882 -0.785 . . . . 1.3700000000000001 108.882 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.83 115.03 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.459 -0.775 . . . . 0.46999999999999997 109.344 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -75.09 152.44 38.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 2.1000000000000001 110.024 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 144.19 5.27 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.395 -1.082 . . . . 0.41999999999999998 110.395 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -82.89 -47.81 11.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.507 -0.996 . . . . 2.6800000000000002 109.256 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.91 -41.24 77.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 108.537 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.591 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -47.22 82.66 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.331 -0.856 . . . . 2.77 109.463 179.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -56.0 -57.99 9.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.48 -0.763 . . . . 0.42999999999999999 109.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -51.06 -38.71 53.24 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.459 -0.776 . . . . 1.6599999999999999 109.923 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.2 -53.63 46.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.128 -0.983 . . . . 0.44 110.208 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.32 -45.33 94.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.06 -1.025 . . . . 0.28999999999999998 109.207 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.08 -41.91 60.26 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.366 -0.834 . . . . 2.4399999999999999 109.369 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.02 -54.83 41.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.193 -0.942 . . . . 1.74 109.921 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -58.96 -39.47 81.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.182 -0.949 . . . . 0.29999999999999999 108.728 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.42 -53.8 53.96 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.37 -0.831 . . . . 1.22 109.428 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.99 -35.81 81.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 1.72 110.018 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.14 -49.5 76.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.27000000000000002 109.881 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.07 -47.94 82.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.28999999999999998 109.378 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.27 -32.25 68.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 108.748 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 350' ' ' LEU . 2.5 tt -64.35 -52.44 58.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.392 -0.817 . . . . 0.40999999999999998 108.824 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -60.34 -39.69 87.99 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.716 -0.846 . . . . 1.5600000000000001 108.716 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.36 -37.79 73.15 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.672 -0.642 . . . . 1.4299999999999999 109.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.06 85.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.213 -0.929 . . . . 0.66000000000000003 109.649 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.05 1.6 30.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 1.1799999999999999 109.586 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.7 -81.77 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.16 -0.963 . . . . 1.23 109.25 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.34 97.0 1.15 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.555 -1.418 . . . . 1.54 109.555 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -88.32 144.67 26.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.199 -1.177 . . . . 4.1799999999999997 109.577 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -50.9 149.58 6.17 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 5.71 109.055 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.97 -81.01 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.705 0 C-N-CA 120.95 1.1 . . . . 5.6100000000000003 109.828 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.454 -1.459 . . . . 7.2400000000000002 109.454 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 320' ' ' LYS . 66.8 mttm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.237 -0.653 . . . . 7.3399999999999999 109.237 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 319' ' ' LYS . 68.5 mttt 58.58 154.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.407 -0.808 . . . . 7.1699999999999999 109.52 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm 51.58 69.69 2.37 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.027 -1.046 . . . . 6.4400000000000004 109.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -71.1 45.57 0.62 Allowed 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 121.987 1.792 . . . . 4.54 111.345 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 98.0 mt -79.63 102.84 9.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.545 -1.347 . . . . 4.3200000000000003 109.214 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -82.66 -145.73 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.426 -0.796 . . . . 2.4700000000000002 109.64 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.47 173.64 36.47 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.032 -1.227 . . . . 0.94999999999999996 110.032 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.87 134.69 57.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.457 -1.025 . . . . 1.6100000000000001 109.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -96.18 152.44 18.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.56999999999999995 109.155 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -135.22 -172.63 3.11 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.258 -0.901 . . . . 0.53000000000000003 109.307 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -151.6 145.42 25.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.333 -0.854 . . . . 0.38 108.893 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -139.55 134.83 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.471 -0.768 . . . . 0.35999999999999999 109.713 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.38 132.76 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.921 -0.77 . . . . 1.3600000000000001 108.921 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.87 115.03 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.511 -0.743 . . . . 0.48999999999999999 109.278 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.93 152.52 38.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 2.1000000000000001 109.949 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.99 143.89 5.19 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.374 -1.09 . . . . 0.44 110.374 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -82.67 -47.67 11.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.54 -0.976 . . . . 2.7200000000000002 109.22 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.96 -41.57 78.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 2.21 108.521 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.582 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -47.58 80.89 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.311 -0.868 . . . . 2.79 109.504 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -55.52 -57.85 10.21 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.519 -0.738 . . . . 0.45000000000000001 109.5 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -51.27 -39.03 55.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.468 -0.77 . . . . 1.6799999999999999 109.886 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -63.62 -53.57 49.49 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 110.123 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.69 -45.39 94.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.092 -1.005 . . . . 0.28000000000000003 109.145 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -51.23 -41.39 60.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.339 -0.851 . . . . 2.52 109.289 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.28 -55.11 37.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.936 . . . . 1.75 109.897 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.86 -39.4 81.23 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.134 -0.979 . . . . 0.31 108.739 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.16 -53.87 53.39 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.35 -0.843 . . . . 1.21 109.429 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -62.98 -36.06 82.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.6899999999999999 110.081 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -49.23 77.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.221 -0.925 . . . . 0.27000000000000002 109.862 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.07 -47.88 82.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.172 -0.955 . . . . 0.29999999999999999 109.433 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -58.5 -32.48 68.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 1.9299999999999999 108.737 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -64.04 -52.05 61.25 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.735 -0.839 . . . . 0.40000000000000002 108.735 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -60.83 -39.86 90.62 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.323 -0.861 . . . . 1.5900000000000001 108.765 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -57.15 -38.12 73.05 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.609 -0.682 . . . . 1.4299999999999999 109.81 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.23 87.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 0.65000000000000002 109.706 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.96 1.64 30.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 1.1899999999999999 109.565 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -81.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 1.22 109.334 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.19 96.92 1.25 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.516 -1.434 . . . . 1.53 109.516 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -88.06 145.71 25.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.226 -1.161 . . . . 4.21 109.641 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -51.51 149.76 7.5 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.293 -0.88 . . . . 5.6799999999999997 109.014 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -58.84 -80.98 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.721 0 C-N-CA 120.928 1.086 . . . . 5.5700000000000003 109.753 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 109.477 -1.449 . . . . 7.2000000000000002 109.477 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 320' ' ' LYS . 66.7 mttm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.284 -0.636 . . . . 8.9600000000000009 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 319' ' ' LYS . 67.9 mttt 58.62 153.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.587 -0.696 . . . . 8.1500000000000004 109.605 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm 51.79 70.04 2.15 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 7.1500000000000004 109.399 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -71.33 45.86 0.68 Allowed 'Trans proline' 0 CA--C 1.546 1.093 0 C-N-CA 121.979 1.786 . . . . 4.3499999999999996 111.307 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 99.6 mt -79.57 102.7 9.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.561 -1.337 . . . . 4.6299999999999999 109.152 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -83.17 -145.53 0.08 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 2.8500000000000001 109.711 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.3 172.7 37.6 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.069 -1.213 . . . . 1.1200000000000001 110.069 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.46 134.36 56.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.441 -1.034 . . . . 2.1099999999999999 109.836 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -95.88 152.24 18.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.422 -0.799 . . . . 0.64000000000000001 109.195 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.92 -172.15 2.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.275 -0.89 . . . . 0.48999999999999999 109.29 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -151.89 145.65 25.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 0.46999999999999997 108.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.4 tp -139.89 134.66 31.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.405 -0.809 . . . . 0.41999999999999998 109.692 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.59 33.96 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.02 -0.734 . . . . 1.8100000000000001 109.02 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.74 115.41 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.49 -0.756 . . . . 0.41999999999999998 109.299 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -75.23 153.06 38.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.448 -0.782 . . . . 2.3500000000000001 110.101 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.08 143.42 4.37 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.402 -1.079 . . . . 0.40999999999999998 110.402 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -82.08 -47.72 12.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.501 -0.999 . . . . 2.5899999999999999 109.223 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -56.79 -41.41 77.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.161 -0.962 . . . . 2.54 108.62 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.59 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.47 -47.82 80.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.359 -0.838 . . . . 3.3900000000000001 109.451 179.473 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -55.39 -57.72 10.7 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.549 -0.719 . . . . 0.46999999999999997 109.598 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.31 -38.94 55.62 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -63.86 -53.23 53.85 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.095 -1.003 . . . . 0.60999999999999999 110.224 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.87 -45.03 95.53 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.107 -0.995 . . . . 0.33000000000000002 109.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.5 -41.21 60.81 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.306 -0.872 . . . . 3.2799999999999998 109.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.39 -55.04 38.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 1.78 109.947 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.0 -39.3 81.41 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.155 -0.966 . . . . 0.38 108.786 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.32 -53.59 56.46 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.412 -0.805 . . . . 1.2 109.428 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.25 -36.12 82.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 2.1200000000000001 110.023 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.03 -49.34 77.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.195 -0.941 . . . . 0.26000000000000001 109.871 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.88 -47.66 83.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.149 -0.969 . . . . 0.40000000000000002 109.453 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -32.45 69.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.726 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -64.12 -51.95 61.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.74 -0.837 . . . . 0.75 108.74 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.95 -39.68 90.43 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.324 -0.86 . . . . 2.1899999999999999 108.777 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.21 -37.96 73.0 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.566 -0.709 . . . . 1.3400000000000001 109.845 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.02 85.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.905 . . . . 0.71999999999999997 109.735 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -81.01 1.69 30.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.297 -0.877 . . . . 1.8 109.641 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -81.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 1.3899999999999999 109.209 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.76 97.57 1.24 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.585 -1.406 . . . . 1.6599999999999999 109.585 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -88.16 145.35 25.96 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.265 -1.138 . . . . 4.4500000000000002 109.594 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -51.18 149.83 6.54 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 6.1900000000000004 108.974 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.77 -81.07 0.01 OUTLIER 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 120.931 1.087 . . . . 5.5800000000000001 109.841 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.978 -1.456 . . . . 6.9000000000000004 109.5 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 320' ' ' LYS . 66.7 mttm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.233 -0.655 . . . . 7.3600000000000003 109.233 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 319' ' ' LYS . 68.7 mttt 58.35 154.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.439 -0.788 . . . . 7.1500000000000004 109.541 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm 50.94 70.39 2.03 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.985 . . . . 6.5 109.495 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -71.37 45.74 0.68 Allowed 'Trans proline' 0 CA--C 1.545 1.039 0 C-N-CA 122.019 1.812 . . . . 4.5 111.307 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.94 102.68 9.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.433 -1.417 . . . . 4.3200000000000003 109.268 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -82.94 -146.34 0.08 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.276 -0.89 . . . . 2.46 109.661 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 173.05 34.97 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.084 -1.206 . . . . 0.96999999999999997 110.084 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.57 134.79 57.34 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -1.054 . . . . 1.6699999999999999 109.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -96.23 152.11 18.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.334 -0.854 . . . . 0.60999999999999999 109.104 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -135.02 -172.6 3.09 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.304 -0.872 . . . . 0.56000000000000005 109.241 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.69 145.49 25.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.3 -0.875 . . . . 0.42999999999999999 108.853 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.5 tp -139.37 134.73 32.88 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.436 -0.79 . . . . 0.34999999999999998 109.77 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.44 132.6 33.9 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.872 -0.788 . . . . 1.3700000000000001 108.872 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.83 115.48 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.562 -0.712 . . . . 0.47999999999999998 109.324 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -75.4 152.63 38.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 2.0800000000000001 109.993 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.81 143.87 5.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.391 -1.084 . . . . 0.40000000000000002 110.391 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -82.73 -47.59 11.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.508 -0.996 . . . . 2.6400000000000001 109.213 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.89 -41.67 78.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.485 -0.931 . . . . 2.2200000000000002 108.485 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.595 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -47.49 81.32 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.374 -0.829 . . . . 2.7400000000000002 109.546 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.6 -57.64 11.11 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.586 -0.696 . . . . 0.42999999999999999 109.618 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -51.41 -38.99 56.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 109.925 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -63.87 -53.08 56.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 110.164 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.87 -45.25 94.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.977 . . . . 0.27000000000000002 109.206 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.38 -41.4 60.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.218 -0.927 . . . . 2.4500000000000002 109.375 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.24 -54.65 43.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 1.75 109.944 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.23 -39.42 82.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.31 108.796 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.28 -53.97 52.14 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.461 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -62.94 -35.96 81.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 1.73 109.988 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.537 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.09 -49.45 76.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.28000000000000003 109.853 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.08 -47.81 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.143 -0.973 . . . . 0.31 109.402 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.52 -32.43 68.83 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 108.801 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.585 HD22 HD22 ' C' ' 350' ' ' LEU . 2.5 tt -64.07 -52.14 60.72 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.755 -0.831 . . . . 0.42999999999999999 108.755 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.74 -39.72 89.7 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.69 -0.856 . . . . 1.5700000000000001 108.69 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -57.32 -37.62 72.77 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.807 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -40.21 85.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.64000000000000001 109.715 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.87 1.41 30.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.371 -0.831 . . . . 1.21 109.64 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -81.29 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.161 -0.962 . . . . 1.22 109.286 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.52 96.81 1.16 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.573 -1.411 . . . . 1.5 109.573 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -88.16 144.61 26.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.276 -1.132 . . . . 4.1799999999999997 109.486 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -50.49 150.24 4.94 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 5.6699999999999999 109.133 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -81.05 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.718 0 C-N-CA 120.886 1.057 . . . . 5.6500000000000004 109.76 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 7.2699999999999996 109.528 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.425 -0.583 . . . . 7.3300000000000001 109.425 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.94 -27.53 0.16 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 7.21 109.803 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 319' ' ' LYS . 60.6 mttp 52.92 72.01 1.28 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.096 -1.003 . . . . 6.4699999999999998 109.667 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -69.9 62.03 1.83 Allowed 'Trans proline' 0 C--N 1.317 -1.108 0 C-N-CA 121.792 1.661 . . . . 4.5300000000000002 110.076 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.78 30.76 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.826 -1.171 . . . . 4.3499999999999996 109.325 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -77.5 -158.73 0.12 Allowed 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 120.147 -0.621 . . . . 2.48 109.707 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.47 160.54 51.34 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.781 -1.328 . . . . 0.97999999999999998 109.781 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -58.91 141.47 53.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.293 -1.122 . . . . 1.7 109.402 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 151.98 18.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.245 -0.909 . . . . 0.60999999999999999 110.015 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.62 -168.54 2.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.443 -0.786 . . . . 0.57999999999999996 108.985 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.8 p -153.24 142.53 21.56 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.185 -0.947 . . . . 0.41999999999999998 109.247 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.12 137.0 40.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.557 -0.715 . . . . 0.35999999999999999 109.716 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.29 33.85 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.9 mt -123.45 113.56 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.352 -0.842 . . . . 0.46999999999999997 109.304 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HE ' ' C ' ' A' ' 333' ' ' ARG . 0.1 OUTLIER -74.63 149.99 39.79 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.541 -0.724 . . . . 2.1000000000000001 109.998 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.33 138.96 6.41 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.959 -1.256 . . . . 0.41999999999999998 109.959 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.92 -50.89 11.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -1.151 . . . . 2.6800000000000002 109.339 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.88 -38.81 76.45 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.159 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.581 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.5 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.393 -0.817 . . . . 2.77 109.311 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.3 -56.6 18.14 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.684 -0.635 . . . . 0.42999999999999999 109.823 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 110.08 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.82 -51.3 65.34 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.2 -0.938 . . . . 0.44 110.576 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.46 80.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.0 -1.062 . . . . 0.28999999999999998 109.566 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.45 -39.04 46.62 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.069 -1.019 . . . . 2.4399999999999999 109.371 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.58 -46.77 88.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.148 -0.97 . . . . 1.74 109.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -61.85 -49.16 77.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 0.29999999999999999 109.215 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.28 -47.3 84.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.201 -0.937 . . . . 1.22 109.432 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.69 -38.45 87.87 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.327 -0.858 . . . . 1.72 109.444 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.27 -50.16 75.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.35 -0.844 . . . . 0.27000000000000002 109.577 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.25 -43.07 99.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.28999999999999998 109.369 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.83 -37.01 75.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 1.9099999999999999 109.256 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.538 HD11 HE22 ' B' ' 354' ' ' GLN . 53.2 tp -63.63 -48.35 77.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.40999999999999998 109.181 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.48 -47.83 80.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 1.5600000000000001 109.029 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.57 -34.23 68.99 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.587 -0.696 . . . . 1.4299999999999999 109.482 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.98 83.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.858 . . . . 0.66000000000000003 109.84 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.547 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 65.0 mt-30 -81.3 -3.54 52.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 1.1799999999999999 109.616 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.32 -13.71 61.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.193 -0.942 . . . . 1.23 109.361 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 25.89 6.28 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.439 -1.464 . . . . 1.54 109.439 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -85.39 -83.33 0.17 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -1.128 . . . . 4.1799999999999997 109.8 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 360' ' ' GLY . 2.2 mp0 -49.74 154.08 1.87 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.344 -0.848 . . . . 5.71 109.061 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.15 5.15 0.11 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 121.16 1.24 . . . . 5.6100000000000003 110.444 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.493 2.434 0 CA-C-O 118.027 -1.43 . . . . 7.2400000000000002 109.559 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' B' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.463 -0.569 . . . . 7.3399999999999999 109.463 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.82 -27.51 0.16 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.369 -0.832 . . . . 7.1699999999999999 109.82 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' B' ' 319' ' ' LYS . 60.5 mttp 53.04 71.92 1.3 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.109 -0.994 . . . . 6.4400000000000004 109.644 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -69.89 62.1 1.83 Allowed 'Trans proline' 0 CA--C 1.544 1.025 0 C-N-CA 121.849 1.699 . . . . 4.54 110.089 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.75 30.59 0.43 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.794 -1.191 . . . . 4.3200000000000003 109.25 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -77.53 -158.92 0.13 Allowed 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.598 -0.689 . . . . 2.4700000000000002 109.721 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 160.5 50.94 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.777 -1.329 . . . . 0.94999999999999996 109.777 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.86 141.51 53.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.349 -1.089 . . . . 1.6100000000000001 109.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -94.9 151.87 18.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.305 -0.872 . . . . 0.56999999999999995 110.026 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.54 -168.56 2.12 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.453 -0.779 . . . . 0.53000000000000003 108.955 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.9 p -153.26 142.56 21.56 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.104 -0.997 . . . . 0.38 109.153 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.9 tp -136.16 136.96 40.46 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.589 -0.694 . . . . 0.35999999999999999 109.715 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.84 132.28 33.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.882 -0.785 . . . . 1.3600000000000001 108.882 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.0 mt -123.48 113.55 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.517 -0.74 . . . . 0.48999999999999999 109.295 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.424 ' C ' ' HE ' ' B' ' 333' ' ' ARG . 0.1 OUTLIER -74.66 150.06 39.71 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.643 -0.661 . . . . 2.1000000000000001 109.995 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.31 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.011 -1.235 . . . . 0.44 110.011 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -78.02 -50.87 11.27 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -1.134 . . . . 2.7200000000000002 109.287 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.94 -38.83 76.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 2.21 109.136 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.581 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -45.9 83.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 2.79 109.394 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -55.35 -56.61 18.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.653 -0.655 . . . . 0.45000000000000001 109.804 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -51.55 -40.16 59.17 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.388 -0.82 . . . . 1.6799999999999999 110.159 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.83 -51.24 65.61 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 110.642 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.96 -48.47 80.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.044 -1.035 . . . . 0.28000000000000003 109.582 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.46 -39.06 46.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.087 -1.008 . . . . 2.52 109.419 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -61.55 -46.81 88.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.971 . . . . 1.75 109.56 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.82 -49.14 77.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.335 -0.853 . . . . 0.31 109.289 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.23 -47.36 83.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.297 -0.877 . . . . 1.21 109.425 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.57 -38.7 88.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.437 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.07 -50.07 75.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.326 -0.859 . . . . 0.27000000000000002 109.71 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.33 -43.0 99.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.328 -0.857 . . . . 0.29999999999999999 109.363 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.91 -36.98 75.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.208 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.464 HD11 HE22 ' A' ' 354' ' ' GLN . 53.2 tp -63.7 -48.21 78.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.37 -0.831 . . . . 0.40000000000000002 109.215 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.59 -47.7 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.318 -0.864 . . . . 1.5900000000000001 109.02 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -57.78 -34.15 69.3 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.467 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.96 83.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.65000000000000002 109.895 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.547 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 65.0 mt-30 -81.25 -3.6 52.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 1.1899999999999999 109.674 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -13.82 62.04 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.134 -0.979 . . . . 1.22 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 25.86 6.27 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.345 -1.502 . . . . 1.53 109.345 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -85.44 -83.4 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -1.191 . . . . 4.21 109.727 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.534 ' C ' ' H ' ' B' ' 360' ' ' GLY . 2.2 mp0 -49.63 154.18 1.77 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.869 . . . . 5.6799999999999997 109.013 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.24 5.11 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 121.147 1.232 . . . . 5.5700000000000003 110.465 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.042 -1.421 . . . . 7.2000000000000002 109.596 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' C' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.373 -0.603 . . . . 8.9600000000000009 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 22.4 tptt 69.9 -27.66 0.16 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.384 -0.822 . . . . 8.1500000000000004 109.827 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' C' ' 319' ' ' LYS . 60.5 mttp 53.02 71.9 1.31 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.094 -1.004 . . . . 7.1500000000000004 109.677 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -69.86 62.1 1.81 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 121.766 1.644 . . . . 4.3499999999999996 110.07 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.76 30.67 0.43 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.842 -1.161 . . . . 4.6299999999999999 109.264 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -77.47 -158.79 0.12 Allowed 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.55 -0.719 . . . . 2.8500000000000001 109.71 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 160.46 51.25 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.776 -1.33 . . . . 1.1200000000000001 109.776 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -58.75 141.47 52.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.276 -1.132 . . . . 2.1099999999999999 109.427 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -94.87 152.02 18.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.174 -0.954 . . . . 0.64000000000000001 110.032 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.72 -168.54 2.13 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.967 -0.753 . . . . 0.48999999999999999 108.967 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.1 p -153.29 142.21 21.19 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.165 -0.959 . . . . 0.46999999999999997 109.247 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -135.91 137.04 40.97 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.566 -0.709 . . . . 0.41999999999999998 109.709 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.88 132.31 33.85 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.833 -0.803 . . . . 1.8100000000000001 108.833 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.53 113.56 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.419 -0.8 . . . . 0.41999999999999998 109.176 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.417 ' C ' ' HE ' ' C' ' 333' ' ' ARG . 0.1 OUTLIER -74.67 150.06 39.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.647 -0.658 . . . . 2.3500000000000001 109.957 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.35 138.89 6.4 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.068 -1.213 . . . . 0.40999999999999998 110.068 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.9 -50.97 11.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -1.105 . . . . 2.5899999999999999 109.246 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.9 -38.76 76.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 2.54 109.087 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.583 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.28 -45.93 83.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.374 -0.829 . . . . 3.3900000000000001 109.364 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.34 -56.63 17.93 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.647 -0.658 . . . . 0.46999999999999997 109.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -51.42 -40.24 58.93 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 110.128 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.88 -51.24 65.49 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.189 -0.944 . . . . 0.60999999999999999 110.612 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.0 -48.32 80.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.33000000000000002 109.657 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.53 -39.05 47.89 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.088 -1.007 . . . . 3.2799999999999998 109.328 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.63 -46.74 88.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -0.943 . . . . 1.78 109.489 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.9 -49.08 77.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.319 -0.863 . . . . 0.38 109.271 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -58.25 -47.36 83.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.264 -0.897 . . . . 1.2 109.431 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.63 -38.6 88.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.334 -0.854 . . . . 2.1200000000000001 109.405 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.03 -50.29 74.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.26000000000000001 109.601 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.22 -43.02 99.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.40000000000000002 109.422 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.87 -36.91 75.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.279 -0.888 . . . . 2.0899999999999999 109.291 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.77 -48.32 77.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.384 -0.822 . . . . 0.75 109.165 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.47 -47.81 80.26 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 2.1899999999999999 108.963 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.63 -34.35 69.22 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.587 -0.695 . . . . 1.3400000000000001 109.393 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.02 83.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.71999999999999997 109.829 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.61 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 65.1 mt-30 -81.25 -3.61 52.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.184 -0.947 . . . . 1.8 109.676 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.35 -13.69 61.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.125 -0.985 . . . . 1.3899999999999999 109.331 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 25.82 6.24 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.435 -1.466 . . . . 1.6599999999999999 109.435 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -85.43 -83.43 0.17 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -1.152 . . . . 4.4500000000000002 109.649 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.534 ' C ' ' H ' ' C' ' 360' ' ' GLY . 2.2 mp0 -49.64 154.15 1.78 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.245 -0.909 . . . . 6.1900000000000004 109.086 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.25 5.22 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 121.138 1.225 . . . . 5.5800000000000001 110.513 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.544 -1.422 . . . . 6.9000000000000004 109.544 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' D' ' 321' ' ' LYS . 81.0 tttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.454 -0.573 . . . . 7.3600000000000003 109.454 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 22.5 tptt 69.86 -27.57 0.16 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.395 -0.816 . . . . 7.1500000000000004 109.803 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' D' ' 319' ' ' LYS . 60.5 mttp 52.99 71.93 1.3 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.962 . . . . 6.5 109.647 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -69.85 62.08 1.81 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.817 1.678 . . . . 4.5 109.982 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.8 30.77 0.43 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.87 -1.144 . . . . 4.3200000000000003 109.345 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -77.53 -158.81 0.12 Allowed 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.648 -0.657 . . . . 2.46 109.703 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 160.51 51.31 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.737 -1.345 . . . . 0.96999999999999997 109.737 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -58.77 141.46 52.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.283 -1.127 . . . . 1.6699999999999999 109.428 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.84 152.01 18.75 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.264 -0.897 . . . . 0.60999999999999999 109.984 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.75 -168.57 2.14 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.901 -0.777 . . . . 0.56000000000000005 108.901 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -153.27 142.47 21.45 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.132 -0.98 . . . . 0.42999999999999999 109.249 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.12 137.04 40.6 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -0.751 . . . . 0.34999999999999998 109.748 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.93 132.23 33.87 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.787 -0.82 . . . . 1.3700000000000001 108.787 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.2 mt -123.43 113.63 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.451 -0.781 . . . . 0.47999999999999998 109.283 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.43 ' HE ' ' C ' ' D' ' 333' ' ' ARG . 0.1 OUTLIER -74.68 150.04 39.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.606 -0.684 . . . . 2.0800000000000001 109.965 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.3 138.97 6.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.034 -1.227 . . . . 0.40000000000000002 110.034 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -77.94 -50.9 11.27 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.299 -1.118 . . . . 2.6400000000000001 109.3 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -57.83 -38.84 76.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 2.2200000000000002 109.125 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.582 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.25 -45.94 83.51 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.353 -0.842 . . . . 2.7400000000000002 109.33 179.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.34 -56.6 18.21 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.716 -0.615 . . . . 0.42999999999999999 109.819 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -51.53 -40.16 59.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.363 -0.835 . . . . 1.6899999999999999 110.137 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -51.21 65.53 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.136 -0.978 . . . . 0.42999999999999999 110.575 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.98 -48.51 80.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.157 -0.964 . . . . 0.27000000000000002 109.553 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -50.48 -39.0 46.94 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.13 -0.981 . . . . 2.4500000000000002 109.384 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -61.66 -46.71 88.6 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.75 109.516 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.93 -49.08 77.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.263 -0.898 . . . . 0.31 109.187 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -58.28 -47.36 83.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 1.22 109.378 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.58 -38.71 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.338 -0.851 . . . . 1.73 109.364 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.08 -50.17 75.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 0.28000000000000003 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.3 -43.0 99.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.31 109.4 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.81 -36.97 75.36 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.9099999999999999 109.266 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.72 -48.31 77.57 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 0.42999999999999999 109.208 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -63.5 -47.68 80.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.331 -0.855 . . . . 1.5700000000000001 108.999 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.77 -34.23 69.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.637 -0.664 . . . . 1.4399999999999999 109.433 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -37.85 82.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.64000000000000001 109.884 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.61 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 64.7 mt-30 -81.37 -3.52 52.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.28 -13.77 62.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.983 . . . . 1.22 109.359 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 25.85 6.27 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.418 -1.473 . . . . 1.5 109.418 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -85.46 -83.35 0.17 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.133 -1.216 . . . . 4.1799999999999997 109.722 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' D' ' 360' ' ' GLY . 2.2 mp0 -49.67 154.1 1.82 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 5.6699999999999999 109.107 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -59.22 5.18 0.11 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 121.164 1.243 . . . . 5.6500000000000004 110.445 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 118.023 -1.431 . . . . 7.2699999999999996 109.621 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.432 -0.581 . . . . 7.3300000000000001 109.432 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 45.7 tttp 61.3 -76.41 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.531 -0.731 . . . . 7.21 109.215 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 319' ' ' LYS . 66.6 mttt 57.3 70.8 1.24 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 6.4699999999999998 109.712 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.35 -81.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.084 0 C-N-CA 121.568 1.512 . . . . 4.5300000000000002 109.548 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.62 101.22 7.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.077 -1.015 . . . . 4.3499999999999996 109.368 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -83.3 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.428 -0.795 . . . . 2.48 109.72 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 160.74 52.87 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.747 -1.341 . . . . 0.97999999999999998 109.747 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.62 130.09 45.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -1.118 . . . . 1.7 109.565 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -93.52 158.98 15.44 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.254 -0.904 . . . . 0.60999999999999999 109.258 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.41 -173.64 3.66 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 0.57999999999999996 109.46 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -151.67 115.49 4.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 0.41999999999999998 108.9 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.2 tp -101.18 136.65 40.69 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.504 -0.748 . . . . 0.35999999999999999 109.703 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -86.0 128.58 34.88 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.51 -0.922 . . . . 1.3700000000000001 108.51 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.16 115.91 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 CA-C-O 121.739 0.781 . . . . 0.46999999999999997 109.723 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -75.23 147.6 40.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.196 -0.668 . . . . 2.1000000000000001 109.196 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 145.67 13.25 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 109.799 -1.32 . . . . 0.41999999999999998 109.799 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.54 -51.48 7.29 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -1.116 . . . . 2.6800000000000002 109.525 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.47 -37.78 73.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 2.2200000000000002 109.232 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.537 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -48.23 79.02 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 2.77 109.545 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.92 -60.15 3.76 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.668 -0.645 . . . . 0.42999999999999999 109.859 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.42 -38.75 44.74 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.507 -0.746 . . . . 1.6599999999999999 110.109 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.25 -51.49 63.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.005 -1.059 . . . . 0.44 110.122 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.15 -45.88 91.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.105 -0.997 . . . . 0.28999999999999998 109.005 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.67 -42.31 45.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.17 -0.956 . . . . 2.4399999999999999 109.157 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.25 86.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.429 -0.794 . . . . 1.74 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.44 -47.67 85.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.29999999999999999 109.022 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.09 -48.33 80.51 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.442 -0.786 . . . . 1.22 109.485 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -61.64 -37.35 83.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.324 -0.86 . . . . 1.72 109.761 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.57 -56.18 25.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.315 -0.865 . . . . 0.27000000000000002 110.012 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.4 -39.81 92.07 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.238 -0.914 . . . . 0.28999999999999998 109.408 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -61.51 -39.61 91.62 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.554 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.403 HD21 ' NE2' ' B' ' 354' ' ' GLN . 20.5 tp -62.27 -49.29 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.269 -0.894 . . . . 0.40999999999999998 108.994 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -64.34 -49.57 71.15 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.651 0.738 . . . . 1.5600000000000001 109.321 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -55.7 -34.29 64.96 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 120.3 -0.56 . . . . 1.4299999999999999 109.528 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -45.69 76.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66000000000000003 109.589 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' B' ' 350' ' ' LEU . 34.6 mt-30 -80.45 -0.94 39.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.342 -0.849 . . . . 1.1799999999999999 109.468 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.65 -78.96 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 1.23 109.341 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.73 6.71 0.11 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.989 -1.244 . . . . 1.54 109.989 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 355' ' ' ALA . 49.8 tttm -85.25 143.94 28.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.937 -1.331 . . . . 4.1799999999999997 109.367 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.32 106.55 0.5 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.806 -0.559 . . . . 5.71 110.05 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.23 84.41 0.1 Allowed 'Trans proline' 0 C--O 1.212 -0.775 0 C-N-CA 120.766 0.977 . . . . 5.6100000000000003 109.567 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.353 -1.499 . . . . 7.2400000000000002 109.353 -179.861 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' B' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.432 -0.581 . . . . 7.3399999999999999 109.432 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 46.0 tttp 61.34 -76.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.51 -0.744 . . . . 7.1699999999999999 109.167 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 319' ' ' LYS . 66.2 mttt 57.2 70.87 1.23 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.219 -0.925 . . . . 6.4400000000000004 109.766 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.46 -81.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.624 1.549 . . . . 4.54 109.615 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.51 101.08 7.18 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 4.3200000000000003 109.474 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -83.19 -109.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.512 -0.742 . . . . 2.4700000000000002 109.739 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 160.7 53.1 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.702 -1.359 . . . . 0.94999999999999996 109.702 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.64 130.04 44.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.329 -1.101 . . . . 1.6100000000000001 109.557 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -93.37 159.16 15.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.31 -0.869 . . . . 0.56999999999999995 109.408 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.63 -173.61 3.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.35 -0.844 . . . . 0.53000000000000003 109.406 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.2 p -151.72 115.46 4.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -0.775 . . . . 0.38 108.99 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.7 tp -101.12 136.68 40.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.666 . . . . 0.35999999999999999 109.784 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -86.16 128.53 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.384 -0.969 . . . . 1.3600000000000001 108.384 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.13 115.93 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 CA-C-O 121.754 0.788 . . . . 0.48999999999999999 109.723 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -75.16 147.41 40.47 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.266 -0.642 . . . . 2.1000000000000001 109.266 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.04 145.84 13.92 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.811 -1.316 . . . . 0.44 109.811 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -83.65 -51.54 7.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.319 -1.106 . . . . 2.7200000000000002 109.53 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -57.33 -37.98 73.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 2.21 109.243 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.545 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.25 78.85 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.322 -0.861 . . . . 2.79 109.475 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.98 -60.01 3.96 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.657 -0.652 . . . . 0.45000000000000001 109.756 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -50.55 -38.69 46.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.6799999999999999 110.059 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -64.27 -51.52 63.15 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.055 -1.028 . . . . 0.42999999999999999 110.122 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.16 -45.86 91.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.958 -1.089 . . . . 0.28000000000000003 108.987 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -49.62 -42.49 45.09 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.106 -0.996 . . . . 2.52 109.058 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.46 -47.11 86.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.45 -0.781 . . . . 1.75 109.521 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.63 -47.64 85.33 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.31 109.003 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.07 -48.39 80.28 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.336 -0.853 . . . . 1.21 109.482 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.65 -37.26 83.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.766 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -56.1 26.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.27000000000000002 109.987 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.3 -40.06 92.76 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.163 -0.96 . . . . 0.29999999999999999 109.448 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.73 91.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.197 -0.94 . . . . 1.9299999999999999 109.585 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.474 HD21 ' NE2' ' A' ' 354' ' ' GLN . 19.8 tp -62.44 -49.5 75.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.214 -0.929 . . . . 0.40000000000000002 109.053 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.09 -49.53 71.87 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.83 0.824 . . . . 1.5900000000000001 109.195 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -55.65 -34.58 65.09 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.734 -0.604 . . . . 1.4299999999999999 109.478 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.6 76.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.208 -0.932 . . . . 0.65000000000000002 109.507 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.424 HE22 HE22 ' A' ' 354' ' ' GLN . 34.7 mt-30 -80.39 -1.06 39.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.217 -0.927 . . . . 1.1899999999999999 109.544 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.547 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.59 -79.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 1.22 109.293 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.74 6.82 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.034 -1.226 . . . . 1.53 110.034 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' B' ' 355' ' ' ALA . 49.6 tttm -85.22 144.04 28.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.987 -1.302 . . . . 4.21 109.345 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.39 106.5 0.5 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.844 -0.535 . . . . 5.6799999999999997 110.022 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.25 84.76 0.1 Allowed 'Trans proline' 0 C--O 1.213 -0.755 0 N-CA-C 109.641 -0.946 . . . . 5.5700000000000003 109.641 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.252 -1.539 . . . . 7.2000000000000002 109.252 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' C' ' 321' ' ' LYS . 90.6 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 8.9600000000000009 109.394 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 61.32 -76.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.481 -0.762 . . . . 8.1500000000000004 109.218 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' C' ' 319' ' ' LYS . 66.5 mttt 57.26 70.73 1.27 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 7.1500000000000004 109.745 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.36 -81.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.619 1.546 . . . . 4.3499999999999996 109.585 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.0 mt -78.47 100.99 7.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.187 -0.946 . . . . 4.6299999999999999 109.502 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -83.11 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.499 -0.75 . . . . 2.8500000000000001 109.759 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.54 160.73 52.82 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.826 -1.309 . . . . 1.1200000000000001 109.826 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -59.71 130.05 44.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -1.139 . . . . 2.1099999999999999 109.563 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -93.4 159.04 15.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.27 -0.894 . . . . 0.64000000000000001 109.35 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.49 -173.66 3.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.48999999999999999 109.421 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.5 p -151.63 115.42 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -0.816 . . . . 0.46999999999999997 108.977 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.93 136.84 40.15 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.511 -0.743 . . . . 0.41999999999999998 109.851 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.22 128.64 34.94 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.352 -0.981 . . . . 1.8100000000000001 108.352 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.17 115.88 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 121.677 0.751 . . . . 0.41999999999999998 109.774 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -75.32 147.53 40.07 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.197 -0.668 . . . . 2.3500000000000001 109.197 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 145.61 13.2 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.759 -1.336 . . . . 0.40999999999999998 109.759 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.48 -51.34 7.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -1.092 . . . . 2.5899999999999999 109.583 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -57.53 -37.84 73.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.915 . . . . 2.54 109.161 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.536 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -48.22 79.07 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.27 -0.894 . . . . 3.3900000000000001 109.584 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -54.91 -60.02 3.94 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.436 0.636 . . . . 0.46999999999999997 109.885 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -50.52 -38.87 46.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.416 -0.802 . . . . 1.6599999999999999 110.063 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.07 -51.55 63.55 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.121 -0.987 . . . . 0.60999999999999999 110.165 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -62.17 -45.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.043 -1.036 . . . . 0.33000000000000002 109.028 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -49.72 -42.55 46.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.111 -0.993 . . . . 3.2799999999999998 108.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.31 -47.26 86.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.48 -0.762 . . . . 1.78 109.523 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 53.5 mt -60.62 -47.53 85.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.877 . . . . 0.38 109.054 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.15 -48.29 80.71 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.391 -0.818 . . . . 1.2 109.43 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 2.1200000000000001 109.753 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -56.09 26.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 0.26000000000000001 109.933 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.38 -40.02 92.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.149 -0.97 . . . . 0.40000000000000002 109.456 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.19 -39.81 91.57 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.522 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.483 HD21 ' NE2' ' D' ' 354' ' ' GLN . 20.1 tp -62.39 -49.46 75.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.75 109.046 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -64.2 -49.41 72.13 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.771 0.796 . . . . 2.1899999999999999 109.223 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -55.76 -34.49 65.28 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.503 -0.555 . . . . 1.3400000000000001 109.503 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.62 76.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.71999999999999997 109.479 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.45 -1.11 40.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.292 -0.88 . . . . 1.8 109.472 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.547 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.55 -79.05 0.07 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -0.912 . . . . 1.3899999999999999 109.345 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.65 6.6 0.11 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.004 -1.239 . . . . 1.6599999999999999 110.004 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' C' ' 355' ' ' ALA . 49.8 tttm -85.19 143.97 28.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.935 -1.332 . . . . 4.4500000000000002 109.421 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -43.38 106.68 0.51 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.803 -0.56 . . . . 6.1900000000000004 110.013 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.34 84.62 0.1 Allowed 'Trans proline' 0 C--O 1.214 -0.707 0 N-CA-C 109.587 -0.967 . . . . 5.5800000000000001 109.587 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.305 -1.518 . . . . 6.9000000000000004 109.305 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' D' ' 321' ' ' LYS . 90.7 mttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.483 -0.562 . . . . 7.3600000000000003 109.483 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 tttp 61.31 -76.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.53 -0.731 . . . . 7.1500000000000004 109.118 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 319' ' ' LYS . 66.4 mttt 57.33 70.81 1.24 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 6.5 109.711 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.62 -80.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 121.586 1.524 . . . . 4.5 109.549 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -78.5 101.12 7.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 4.3200000000000003 109.432 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -83.2 -109.6 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.432 -0.793 . . . . 2.46 109.804 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 160.66 52.9 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.806 -1.318 . . . . 0.96999999999999997 109.806 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.66 130.05 44.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -1.167 . . . . 1.6699999999999999 109.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -93.38 159.23 15.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.309 -0.869 . . . . 0.60999999999999999 109.392 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.65 -173.69 3.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.329 -0.857 . . . . 0.56000000000000005 109.448 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.4 p -151.61 115.53 4.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.437 -0.789 . . . . 0.42999999999999999 108.88 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -101.09 136.57 40.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.492 -0.755 . . . . 0.34999999999999998 109.79 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.87 128.43 34.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.59 -0.893 . . . . 1.3700000000000001 108.59 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.06 115.93 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-O 121.707 0.765 . . . . 0.47999999999999998 109.734 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -75.22 147.24 40.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.284 -0.636 . . . . 2.0800000000000001 109.284 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 145.72 13.63 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.963 -1.255 . . . . 0.40000000000000002 109.963 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -83.52 -51.46 7.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.293 -1.122 . . . . 2.6400000000000001 109.626 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -57.37 -38.05 73.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 2.2200000000000002 109.226 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.544 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.9 -48.3 78.52 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.315 -0.866 . . . . 2.7400000000000002 109.622 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -54.88 -60.04 3.91 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.657 -0.652 . . . . 0.42999999999999999 109.832 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -50.57 -38.76 47.02 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.527 -0.733 . . . . 1.6899999999999999 110.011 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.2 -51.5 63.43 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.083 -1.011 . . . . 0.42999999999999999 110.149 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -62.07 -45.87 91.63 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.034 -1.041 . . . . 0.27000000000000002 109.018 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -49.73 -42.4 46.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.115 -0.991 . . . . 2.4500000000000002 109.038 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.53 -47.15 86.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.465 -0.772 . . . . 1.75 109.469 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.61 -47.54 85.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.824 . . . . 0.31 109.023 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -58.17 -48.35 80.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.453 -0.779 . . . . 1.22 109.401 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.66 -37.32 83.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.73 109.794 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.66 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.66 -56.01 27.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.211 -0.931 . . . . 0.28000000000000003 109.952 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.43 -39.98 92.77 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.181 -0.949 . . . . 0.31 109.374 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -61.35 -39.64 91.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.119 -0.988 . . . . 1.9099999999999999 109.561 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.3 tp -62.34 -49.19 76.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.42999999999999999 109.005 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -64.39 -49.58 71.01 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.729 0.776 . . . . 1.5700000000000001 109.334 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.59 -34.39 64.78 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.448 -0.575 . . . . 1.4399999999999999 109.448 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -45.71 76.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.14 -0.975 . . . . 0.64000000000000001 109.531 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.483 ' NE2' HD21 ' C' ' 350' ' ' LEU . 34.6 mt-30 -80.4 -1.02 39.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.21 109.548 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.61 -79.11 0.07 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.236 -0.915 . . . . 1.22 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.7 6.72 0.11 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.029 -1.228 . . . . 1.5 110.029 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' D' ' 355' ' ' ALA . 49.8 tttm -85.22 143.98 28.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.986 -1.303 . . . . 4.1799999999999997 109.347 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -43.29 106.4 0.49 Allowed Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.726 -0.609 . . . . 5.6699999999999999 109.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -62.25 84.74 0.1 Allowed 'Trans proline' 0 C--O 1.213 -0.741 0 C-N-CA 120.725 0.95 . . . . 5.6500000000000004 109.665 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.367 -1.493 . . . . 7.2699999999999996 109.367 -179.832 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.423 -0.584 . . . . 7.3300000000000001 109.423 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 54.93 14.31 0.9 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 7.21 109.846 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 323' ' ' LEU . 83.7 mttt 50.83 82.71 0.24 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.952 . . . . 6.4699999999999998 110.022 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.0 Cg_endo -66.33 15.57 0.11 Allowed 'Trans proline' 0 C--N 1.322 -0.857 0 C-N-CA 121.413 1.409 . . . . 4.5300000000000002 110.323 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.6 mt -79.81 31.63 0.25 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.11 -0.994 . . . . 4.3499999999999996 109.318 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 322' ' ' PRO . 28.5 m-20 -78.21 -78.97 0.13 Allowed 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.712 -0.617 . . . . 2.48 110.095 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.9 138.29 33.04 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.927 -1.269 . . . . 0.97999999999999998 109.927 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.32 147.93 49.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.713 -0.875 . . . . 1.7 109.613 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -96.18 144.99 25.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.227 -0.921 . . . . 0.60999999999999999 109.503 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -134.59 -172.55 3.05 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.366 -0.834 . . . . 0.57999999999999996 109.542 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 63.0 p -149.63 150.65 32.5 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.56 -0.904 . . . . 0.41999999999999998 108.56 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -142.82 134.42 26.53 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.229 -0.919 . . . . 0.35999999999999999 109.925 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.35 126.97 33.7 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.588 -0.893 . . . . 1.3700000000000001 108.588 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.24 109.56 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.46999999999999997 109.203 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.32 149.61 38.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.598 -0.689 . . . . 2.1000000000000001 109.792 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.1 114.24 1.35 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.962 -1.255 . . . . 0.41999999999999998 109.962 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.471 ' HG2' HH11 ' A' ' 335' ' ' ARG . 11.4 ttt-85 -65.24 -37.15 86.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -1.14 . . . . 2.6800000000000002 108.75 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.9 -51.88 68.12 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.439 -0.788 . . . . 2.2200000000000002 109.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.497 HH11 ' HG3' ' A' ' 337' ' ' ARG . 21.0 ttm-85 -65.18 -36.11 83.17 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.232 -0.917 . . . . 2.77 109.938 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.47 -52.33 47.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.325 -0.86 . . . . 0.42999999999999999 109.169 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.87 -38.72 70.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.885 . . . . 1.6599999999999999 109.176 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.85 -53.88 47.41 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.433 -0.792 . . . . 0.44 110.324 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.34 -47.19 87.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.154 -0.966 . . . . 0.28999999999999998 109.065 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.75 -42.13 62.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.158 -0.964 . . . . 2.4399999999999999 109.347 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.59 -48.29 82.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 1.74 109.806 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.49 -39.52 88.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.139 -0.975 . . . . 0.29999999999999999 108.831 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.38 -56.12 26.16 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.533 -0.729 . . . . 1.22 109.287 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.03 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 1.72 110.277 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.79 11.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.27000000000000002 110.194 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.86 -40.77 94.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.253 -0.905 . . . . 0.28999999999999998 109.643 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.35 -33.82 72.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.146 -0.971 . . . . 1.9099999999999999 109.239 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.36 -51.79 58.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.40999999999999998 109.569 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -62.9 -41.05 99.3 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.366 -0.834 . . . . 1.5600000000000001 109.099 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.78 -36.64 70.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 1.4299999999999999 109.483 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.86 68.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.66000000000000003 109.64 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.748 HE22 HE22 ' B' ' 354' ' ' GLN . 36.9 mt-30 -81.05 1.88 29.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 1.1799999999999999 109.699 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -81.23 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 1.23 109.504 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.83 63.95 2.32 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.681 -1.368 . . . . 1.54 109.681 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -84.99 157.83 20.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.247 -1.149 . . . . 4.1799999999999997 109.517 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.41 148.56 4.62 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 5.71 109.174 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.72 -172.41 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.964 1.109 . . . . 5.6100000000000003 109.851 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.988 -1.451 . . . . 7.2400000000000002 109.557 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.438 -0.578 . . . . 7.3399999999999999 109.438 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 55.06 14.21 0.93 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.375 -0.828 . . . . 7.1699999999999999 109.815 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' B' ' 323' ' ' LEU . 83.6 mttt 50.89 82.75 0.24 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.157 -0.964 . . . . 6.4400000000000004 109.981 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.9 Cg_endo -66.33 15.55 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.931 0 C-N-CA 121.353 1.369 . . . . 4.54 110.354 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.6 mt -79.8 31.49 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.043 -1.036 . . . . 4.3200000000000003 109.315 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' B' ' 322' ' ' PRO . 28.5 m-20 -78.19 -79.13 0.13 Allowed 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.702 -0.624 . . . . 2.4700000000000002 109.994 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.63 138.23 33.46 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.995 -1.242 . . . . 0.94999999999999996 109.995 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.37 147.92 49.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.923 . . . . 1.6100000000000001 109.623 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -96.19 144.97 25.93 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.193 -0.942 . . . . 0.56999999999999995 109.528 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -134.57 -172.6 3.06 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.337 -0.852 . . . . 0.53000000000000003 109.523 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 63.1 p -149.55 150.75 32.73 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.51 -0.922 . . . . 0.38 108.51 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.82 134.49 26.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.264 -0.897 . . . . 0.35999999999999999 109.918 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.53 127.0 33.8 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.49 -0.929 . . . . 1.3600000000000001 108.49 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.26 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.387 -0.821 . . . . 0.48999999999999999 109.238 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.72 38.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.632 -0.667 . . . . 2.1000000000000001 109.831 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 114.19 1.33 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.948 -1.261 . . . . 0.44 109.948 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.48 ' HG2' HH11 ' B' ' 335' ' ' ARG . 11.3 ttt-85 -65.13 -37.21 86.69 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.336 -1.096 . . . . 2.7200000000000002 108.777 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.89 -51.87 68.17 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.75 . . . . 2.21 109.865 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.489 HH11 ' HG3' ' B' ' 337' ' ' ARG . 21.0 ttm-85 -65.16 -36.08 83.11 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.267 -0.896 . . . . 2.79 109.933 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -51.55 -52.33 47.98 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.273 -0.892 . . . . 0.45000000000000001 109.133 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -38.64 70.36 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 109.252 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.2 ttp -62.94 -53.91 46.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.503 -0.748 . . . . 0.42999999999999999 110.308 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.33 -47.22 86.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.137 -0.977 . . . . 0.28000000000000003 109.096 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.7 -42.09 61.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.221 -0.925 . . . . 2.52 109.385 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.31 82.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -0.976 . . . . 1.75 109.831 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -60.41 -39.61 88.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 0.31 108.857 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.39 -56.1 26.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.434 -0.791 . . . . 1.21 109.236 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -63.02 -38.1 89.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.194 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.41 -57.8 11.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.201 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.83 -40.8 94.17 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.277 -0.889 . . . . 0.29999999999999999 109.604 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.34 -33.91 73.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.077 -1.015 . . . . 1.9299999999999999 109.155 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.37 -51.8 57.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.372 -0.83 . . . . 0.40000000000000002 109.574 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.84 -41.12 99.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.331 -0.856 . . . . 1.5900000000000001 109.037 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.74 -36.65 70.0 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.564 -0.71 . . . . 1.4299999999999999 109.508 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -47.9 68.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.65000000000000002 109.608 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.748 HE22 HE22 ' A' ' 354' ' ' GLN . 37.0 mt-30 -81.07 1.81 29.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.268 -0.895 . . . . 1.1899999999999999 109.611 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.44 -81.31 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 1.22 109.52 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.78 64.01 2.3 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.594 -1.403 . . . . 1.53 109.594 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' B' ' 357' ' ' LYS . 19.2 pttp -85.13 157.86 20.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.281 -1.129 . . . . 4.21 109.51 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.38 148.55 4.59 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 5.6799999999999997 109.217 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.69 -172.48 0.03 OUTLIER 'Trans proline' 0 C--O 1.214 -0.706 0 C-N-CA 120.939 1.092 . . . . 5.5700000000000003 109.85 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 117.945 -1.475 . . . . 7.2000000000000002 109.566 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.483 -0.562 . . . . 8.9600000000000009 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 55.07 14.24 0.93 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.43 -0.794 . . . . 8.1500000000000004 109.821 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' C' ' 323' ' ' LEU . 83.6 mttt 50.83 82.7 0.24 Allowed Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 7.1500000000000004 110.04 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.9 Cg_endo -66.29 15.54 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 121.401 1.401 . . . . 4.3499999999999996 110.267 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.7 mt -79.81 31.59 0.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.088 -1.008 . . . . 4.6299999999999999 109.297 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' C' ' 322' ' ' PRO . 28.6 m-20 -78.17 -79.14 0.13 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.801 -0.562 . . . . 2.8500000000000001 110.002 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.78 138.2 33.15 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.995 -1.242 . . . . 1.1200000000000001 109.995 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.25 147.97 49.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.65 -0.912 . . . . 2.1099999999999999 109.639 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -96.23 144.89 26.02 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.206 -0.934 . . . . 0.64000000000000001 109.518 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.45 -172.66 3.07 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.48999999999999999 109.544 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 62.9 p -149.54 150.55 32.45 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.238 -0.914 . . . . 0.46999999999999997 108.542 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.69 134.43 26.78 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.169 -0.957 . . . . 0.41999999999999998 109.94 -178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -84.45 127.06 33.8 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.469 -0.937 . . . . 1.8100000000000001 108.469 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.0 mt -123.29 109.51 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.569 -0.707 . . . . 0.41999999999999998 109.244 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.35 149.64 38.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.578 -0.701 . . . . 2.3500000000000001 109.797 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 114.18 1.35 Allowed Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.946 -1.262 . . . . 0.40999999999999998 109.946 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' C' ' 335' ' ' ARG . 11.3 ttt-85 -65.24 -37.12 86.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.237 -1.155 . . . . 2.5899999999999999 108.773 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.83 -51.98 67.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.393 -0.817 . . . . 2.54 109.82 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' C' ' 337' ' ' ARG . 21.1 ttm-85 -65.15 -36.14 83.32 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.288 -0.883 . . . . 3.3900000000000001 109.84 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.53 -52.37 47.58 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.266 -0.896 . . . . 0.46999999999999997 109.124 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.8 -38.72 70.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 1.6599999999999999 109.165 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.93 -53.9 46.88 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.488 -0.757 . . . . 0.60999999999999999 110.245 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.3 -47.17 87.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.198 -0.939 . . . . 0.33000000000000002 109.094 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -51.83 -42.13 62.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.298 -0.877 . . . . 3.2799999999999998 109.33 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.57 -48.19 82.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.133 -0.979 . . . . 1.78 109.914 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.55 -39.45 87.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.211 -0.93 . . . . 0.38 108.865 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.45 -56.07 26.82 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.425 -0.797 . . . . 1.2 109.271 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.1 -38.01 89.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.463 -0.773 . . . . 2.1200000000000001 110.18 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.49 -57.64 11.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.107 -0.996 . . . . 0.26000000000000001 110.203 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.01 -40.71 94.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.40000000000000002 109.551 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.38 -33.87 73.08 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.167 -0.958 . . . . 2.0899999999999999 109.253 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.42 -51.73 58.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.401 -0.812 . . . . 0.75 109.601 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.87 -41.13 99.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 2.1899999999999999 109.067 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -56.73 -36.64 69.95 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.504 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -47.79 68.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.71999999999999997 109.713 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.76 HE22 HE22 ' D' ' 354' ' ' GLN . 36.9 mt-30 -81.18 1.93 29.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.33 -0.856 . . . . 1.8 109.566 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -81.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.161 -0.962 . . . . 1.3899999999999999 109.488 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.9 64.04 2.34 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.545 -1.422 . . . . 1.6599999999999999 109.545 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -85.13 157.79 20.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.271 -1.135 . . . . 4.4500000000000002 109.517 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -49.32 148.48 4.53 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.307 -0.871 . . . . 6.1900000000000004 109.136 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.57 -172.51 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.658 0 C-N-CA 120.97 1.114 . . . . 5.5800000000000001 109.901 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 CA-C-O 117.99 -1.45 . . . . 6.9000000000000004 109.524 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.433 -0.58 . . . . 7.3600000000000003 109.433 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 54.98 14.22 0.89 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.418 -0.801 . . . . 7.1500000000000004 109.855 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' D' ' 323' ' ' LEU . 83.6 mttt 50.89 82.71 0.24 Allowed Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.196 -0.94 . . . . 6.5 110.021 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.9 Cg_endo -66.3 15.49 0.11 Allowed 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 121.416 1.411 . . . . 4.5 110.237 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.7 mt -79.78 31.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 4.3200000000000003 109.271 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' D' ' 322' ' ' PRO . 28.5 m-20 -78.21 -78.99 0.13 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.738 -0.601 . . . . 2.46 110.003 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.81 138.23 33.14 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.901 -1.279 . . . . 0.96999999999999997 109.901 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.36 147.92 49.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.883 . . . . 1.6699999999999999 109.628 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -96.17 145.01 25.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.249 -0.907 . . . . 0.60999999999999999 109.511 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -134.63 -172.72 3.1 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.355 -0.84 . . . . 0.56000000000000005 109.567 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 62.4 p -149.53 150.77 32.8 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.434 -0.95 . . . . 0.42999999999999999 108.434 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.2 tp -142.81 134.47 26.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.231 -0.918 . . . . 0.34999999999999998 109.912 -178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -84.54 127.03 33.83 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.49 -0.93 . . . . 1.3700000000000001 108.49 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.3 109.51 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.431 -0.793 . . . . 0.47999999999999998 109.221 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -75.34 149.59 38.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.645 -0.659 . . . . 2.0800000000000001 109.863 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.11 114.26 1.35 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.973 -1.251 . . . . 0.40000000000000002 109.973 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.479 ' HG2' HH11 ' D' ' 335' ' ' ARG . 11.2 ttt-85 -65.25 -37.2 86.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.274 -1.133 . . . . 2.6400000000000001 108.696 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.82 -51.97 67.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.458 -0.776 . . . . 2.2200000000000002 109.8 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.477 ' HG3' HH11 ' D' ' 337' ' ' ARG . 21.1 ttm-85 -65.02 -36.21 83.67 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.18 -0.95 . . . . 2.7400000000000002 109.926 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -51.48 -52.39 47.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 0.42999999999999999 109.117 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.79 -38.72 70.31 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.222 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.3 ttp -62.88 -53.96 46.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.491 -0.756 . . . . 0.42999999999999999 110.249 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.27 -47.2 87.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.27000000000000002 109.104 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -51.73 -42.1 62.02 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.245 -0.909 . . . . 2.4500000000000002 109.376 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.67 -48.19 82.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.091 -1.006 . . . . 1.75 109.819 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.51 -39.51 88.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.233 -0.917 . . . . 0.31 108.809 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.37 -56.26 24.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.408 -0.807 . . . . 1.22 109.175 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -62.92 -38.12 89.69 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.442 -0.786 . . . . 1.73 110.289 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -57.39 -57.77 11.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.15 -0.969 . . . . 0.28000000000000003 110.235 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -40.86 94.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 0.31 109.585 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.22 -33.93 72.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.174 -0.954 . . . . 1.9099999999999999 109.283 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.38 -51.77 58.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.87 . . . . 0.42999999999999999 109.591 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -62.85 -41.07 99.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.35 -0.844 . . . . 1.5700000000000001 109.06 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -56.83 -36.65 70.21 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.467 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -47.95 68.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.64000000000000001 109.639 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.76 HE22 HE22 ' C' ' 354' ' ' GLN . 36.9 mt-30 -81.03 1.82 29.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 1.21 109.65 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.56 -81.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.177 -0.952 . . . . 1.22 109.527 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.84 63.98 2.32 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.665 -1.374 . . . . 1.5 109.665 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -84.96 157.82 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -1.16 . . . . 4.1799999999999997 109.579 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -49.32 148.55 4.47 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 5.6699999999999999 109.161 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.76 -172.4 0.03 OUTLIER 'Trans proline' 0 C--O 1.215 -0.646 0 C-N-CA 120.938 1.092 . . . . 5.6500000000000004 109.795 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.993 -1.448 . . . . 7.2699999999999996 109.583 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.32 0.581 . . . . 7.3300000000000001 109.7 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 59.9 36.93 21.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.314 -0.866 . . . . 7.21 110.0 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 323' ' ' LEU . 28.2 mmtm 52.83 74.64 0.74 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.013 -1.054 . . . . 6.4699999999999998 109.39 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.86 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.079 0 C-N-CA 121.541 1.494 . . . . 4.5300000000000002 110.361 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 321' ' ' LYS . 14.5 mt -80.07 103.07 9.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.118 -0.989 . . . . 4.3499999999999996 109.157 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.55 ' CB ' ' HE ' ' C' ' 333' ' ' ARG . 17.5 m-20 -81.84 -142.02 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.372 -0.83 . . . . 2.48 109.786 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.472 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.66 163.43 49.73 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.709 -1.357 . . . . 0.97999999999999998 109.709 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 134.51 57.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -1.128 . . . . 1.7 109.609 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -95.16 158.06 15.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.228 -0.92 . . . . 0.60999999999999999 109.633 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -137.05 -168.27 2.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.399 -0.813 . . . . 0.57999999999999996 109.484 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.0 143.33 23.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.276 -0.89 . . . . 0.41999999999999998 108.729 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.8 tp -139.01 137.5 36.39 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 0.35999999999999999 109.834 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.46 131.25 34.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.406 -0.961 . . . . 1.3700000000000001 108.406 178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.7 mt -123.42 116.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.376 -0.828 . . . . 0.46999999999999997 109.512 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.555 ' HE ' ' CB ' ' C' ' 324' ' ' ASP . 31.3 ttt-85 -75.16 151.36 38.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.604 -0.685 . . . . 2.1000000000000001 109.74 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.66 132.89 2.55 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.269 -1.133 . . . . 0.41999999999999998 110.269 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.43 -48.08 14.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.389 -1.066 . . . . 2.6800000000000002 109.38 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.637 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 1.6 pm0 -59.21 -39.71 83.51 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.087 -1.008 . . . . 2.2200000000000002 108.901 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.55 -41.44 98.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.253 -0.904 . . . . 2.77 109.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.57 -57.08 13.41 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.619 -0.676 . . . . 0.42999999999999999 110.009 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.444 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 80.1 mm-40 -51.28 -37.52 47.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 109.859 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.62 58.97 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.288 -0.883 . . . . 0.44 110.318 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -61.14 -43.63 98.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.013 . . . . 0.28999999999999998 109.142 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 41.7 ttp180 -51.42 -44.77 62.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.181 -0.949 . . . . 2.4399999999999999 109.203 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.31 -47.52 85.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.836 . . . . 1.74 109.831 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.76 -41.01 94.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.29999999999999999 109.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.99 -54.49 46.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.885 . . . . 1.22 109.318 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' B' ' 351' ' ' LYS . 61.3 tt0 -63.74 -31.14 72.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 1.72 109.373 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -52.82 64.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.27000000000000002 109.867 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.33 -45.25 95.2 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.212 -0.93 . . . . 0.28999999999999998 109.211 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.93 -36.05 74.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.201 -0.937 . . . . 1.9099999999999999 109.358 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.454 HD11 HE22 ' B' ' 354' ' ' GLN . 45.8 tp -63.72 -48.24 77.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.40999999999999998 109.253 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.19 -46.92 84.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.381 -0.825 . . . . 1.5600000000000001 108.945 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.09 63.49 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.733 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.08 73.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.209 -0.932 . . . . 0.66000000000000003 109.605 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.457 HE22 HD11 ' B' ' 350' ' ' LEU . 58.4 mt-30 -81.59 -8.07 59.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 1.1799999999999999 109.38 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.04 -50.77 25.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.352 -0.842 . . . . 1.23 109.519 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.91 53.16 3.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.743 -1.343 . . . . 1.54 109.743 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.9 144.38 28.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -1.151 . . . . 4.1799999999999997 109.32 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -47.55 110.54 1.37 Allowed Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.275 -0.891 . . . . 5.71 109.425 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.54 111.36 1.14 Allowed 'Trans proline' 0 C--O 1.215 -0.644 0 N-CA-C 109.91 -0.842 . . . . 5.6100000000000003 109.91 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.957 -1.468 . . . . 7.2400000000000002 109.511 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.342 0.591 . . . . 7.3399999999999999 109.747 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 60.05 36.92 21.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 7.1699999999999999 109.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' B' ' 323' ' ' LEU . 28.3 mmtm 52.66 74.72 0.73 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.015 -1.053 . . . . 6.4400000000000004 109.466 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.2 8.74 0.16 Allowed 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 121.455 1.436 . . . . 4.54 110.344 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' B' ' 321' ' ' LYS . 14.4 mt -79.98 103.09 9.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.005 -1.059 . . . . 4.3200000000000003 109.15 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.531 ' CB ' ' HE ' ' D' ' 333' ' ' ARG . 17.4 m-20 -81.87 -142.23 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.379 -0.826 . . . . 2.4700000000000002 109.705 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.448 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -68.39 163.46 48.91 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.68 -1.368 . . . . 0.94999999999999996 109.68 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.91 134.51 57.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.241 -1.152 . . . . 1.6100000000000001 109.626 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.21 157.9 15.7 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.19 -0.944 . . . . 0.56999999999999995 109.615 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.91 -168.15 2.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.53000000000000003 109.482 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -152.07 143.38 23.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.252 -0.905 . . . . 0.38 108.696 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.9 tp -139.08 137.58 36.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.381 -0.824 . . . . 0.35999999999999999 109.839 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.51 131.32 34.39 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.393 -0.966 . . . . 1.3600000000000001 108.393 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.5 mt -123.45 116.89 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.458 -0.776 . . . . 0.48999999999999999 109.523 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.536 ' HE ' ' CB ' ' D' ' 324' ' ' ASP . 31.5 ttt-85 -75.18 151.37 38.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.69 -0.631 . . . . 2.1000000000000001 109.669 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 132.78 2.55 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.267 -1.133 . . . . 0.44 110.267 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.29 -48.29 14.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -1.099 . . . . 2.7200000000000002 109.3 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.646 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 1.6 pm0 -59.17 -39.67 83.23 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.104 -0.997 . . . . 2.21 108.92 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.57 -41.43 98.38 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.305 -0.872 . . . . 2.79 109.191 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.55 -57.18 13.0 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.618 -0.676 . . . . 0.45000000000000001 109.967 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.454 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 80.3 mm-40 -51.21 -37.58 47.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.6799999999999999 109.807 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.92 -52.67 58.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.235 -0.916 . . . . 0.42999999999999999 110.29 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -61.09 -43.64 98.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.02 -1.05 . . . . 0.28000000000000003 109.189 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.454 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 41.6 ttp180 -51.38 -44.76 62.22 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.192 -0.942 . . . . 2.52 109.217 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.37 -47.53 85.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 1.75 109.784 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.75 -40.93 94.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.31 109.057 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -58.11 -54.5 46.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 1.21 109.198 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.74 -31.2 72.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.294 -0.879 . . . . 1.6899999999999999 109.405 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.79 -52.79 64.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.27000000000000002 109.949 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.37 -45.13 95.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 0.29999999999999999 109.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.04 -36.0 74.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 1.9299999999999999 109.301 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.457 HD11 HE22 ' A' ' 354' ' ' GLN . 45.8 tp -63.71 -48.13 78.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -0.861 . . . . 0.40000000000000002 109.267 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' A' ' 346' ' ' GLU . 15.0 ttmm -63.39 -46.84 84.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.402 -0.811 . . . . 1.5900000000000001 108.964 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.02 63.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.645 -0.659 . . . . 1.4299999999999999 109.683 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -47.14 72.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.65000000000000002 109.642 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.454 HE22 HD11 ' A' ' 350' ' ' LEU . 58.5 mt-30 -81.67 -7.89 59.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.265 -0.897 . . . . 1.1899999999999999 109.401 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.05 -50.83 25.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.301 -0.874 . . . . 1.22 109.446 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.87 53.18 3.69 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.779 -1.328 . . . . 1.53 109.779 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -85.02 144.38 28.31 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.178 -1.19 . . . . 4.21 109.331 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.49 110.63 1.39 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 5.6799999999999997 109.442 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.59 111.38 1.15 Allowed 'Trans proline' 0 C--O 1.215 -0.657 0 N-CA-C 109.865 -0.859 . . . . 5.5700000000000003 109.865 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 CA-C-O 118.004 -1.442 . . . . 7.2000000000000002 109.505 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.302 0.573 . . . . 8.9600000000000009 109.691 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 60.01 36.89 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 8.1500000000000004 109.996 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' C' ' 323' ' ' LEU . 28.4 mmtm 52.76 74.68 0.74 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.992 -1.067 . . . . 7.1500000000000004 109.407 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.79 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 121.538 1.492 . . . . 4.3499999999999996 110.321 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' C' ' 321' ' ' LYS . 14.4 mt -80.02 103.06 9.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.026 -1.046 . . . . 4.6299999999999999 109.215 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.555 ' CB ' ' HE ' ' A' ' 333' ' ' ARG . 17.7 m-20 -81.9 -142.1 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 2.8500000000000001 109.747 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.504 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -68.61 163.47 49.54 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.694 -1.363 . . . . 1.1200000000000001 109.694 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.84 134.5 57.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -1.156 . . . . 2.1099999999999999 109.631 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -95.11 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.157 -0.964 . . . . 0.64000000000000001 109.694 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.02 -168.25 2.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.478 -0.764 . . . . 0.48999999999999999 109.44 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.1 p -152.04 143.29 23.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.23 -0.919 . . . . 0.46999999999999997 108.772 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.01 137.55 36.43 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.378 -0.826 . . . . 0.41999999999999998 109.814 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.53 131.22 34.4 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.375 -0.972 . . . . 1.8100000000000001 108.375 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.4 116.93 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.452 -0.78 . . . . 0.41999999999999998 109.446 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.55 ' HE ' ' CB ' ' A' ' 324' ' ' ASP . 31.5 ttt-85 -75.25 151.42 38.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.534 -0.729 . . . . 2.3500000000000001 109.608 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.64 132.87 2.54 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.25 -1.14 . . . . 0.40999999999999998 110.25 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -79.36 -48.17 14.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.327 -1.102 . . . . 2.5899999999999999 109.38 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 1.6 pm0 -59.18 -39.7 83.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.07 -1.019 . . . . 2.54 108.914 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.58 -41.37 98.38 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.358 -0.838 . . . . 3.3900000000000001 109.212 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -55.64 -57.08 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.639 -0.663 . . . . 0.46999999999999997 109.955 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 80.2 mm-40 -51.26 -37.56 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.815 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.91 -52.64 58.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 0.60999999999999999 110.341 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.04 -43.71 98.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.33000000000000002 109.206 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 41.6 ttp180 -51.36 -44.77 62.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.201 -0.937 . . . . 3.2799999999999998 109.16 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -61.42 -47.34 86.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.369 -0.832 . . . . 1.78 109.845 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.91 -40.93 95.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.172 -0.955 . . . . 0.38 108.991 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.09 -54.42 47.17 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 1.2 109.274 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -63.84 -31.03 72.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 2.1200000000000001 109.452 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.89 63.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.26000000000000001 109.867 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.28 -45.17 95.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.40000000000000002 109.306 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.14 -36.0 74.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.313 -0.867 . . . . 2.0899999999999999 109.259 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.71 -48.24 77.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.336 -0.852 . . . . 0.75 109.282 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -63.26 -46.89 84.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 2.1899999999999999 108.891 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.98 -29.99 63.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.781 -0.574 . . . . 1.3400000000000001 109.606 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.09 73.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.71999999999999997 109.614 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -81.58 -8.03 59.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.227 -0.921 . . . . 1.8 109.355 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.0 -50.84 25.33 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 1.3899999999999999 109.519 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.92 53.18 3.71 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.763 -1.335 . . . . 1.6599999999999999 109.763 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.98 144.46 28.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -1.165 . . . . 4.4500000000000002 109.324 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -47.54 110.65 1.4 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 6.1900000000000004 109.372 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.66 111.4 1.16 Allowed 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.875 -0.856 . . . . 5.5800000000000001 109.875 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 117.949 -1.473 . . . . 6.9000000000000004 109.456 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.239 0.543 . . . . 7.3600000000000003 109.788 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 69.4 tttt 59.91 37.02 21.78 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.377 -0.827 . . . . 7.1500000000000004 109.977 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' D' ' 323' ' ' LEU . 28.4 mmtm 52.66 74.69 0.74 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.032 . . . . 6.5 109.485 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.22 8.84 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.528 1.485 . . . . 4.5 110.297 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' D' ' 321' ' ' LYS . 14.4 mt -80.06 103.11 9.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.998 . . . . 4.3200000000000003 109.142 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.536 ' CB ' ' HE ' ' B' ' 333' ' ' ARG . 17.5 m-20 -81.89 -142.07 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.361 -0.837 . . . . 2.46 109.747 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.468 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -68.56 163.44 49.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.665 -1.374 . . . . 0.96999999999999997 109.665 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.84 134.55 57.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -1.099 . . . . 1.6699999999999999 109.673 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -95.11 158.03 15.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.945 . . . . 0.60999999999999999 109.634 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.98 -168.2 2.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.418 -0.801 . . . . 0.56000000000000005 109.427 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -152.08 143.29 23.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.305 -0.872 . . . . 0.42999999999999999 108.78 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -139.0 137.5 36.39 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.387 -0.82 . . . . 0.34999999999999998 109.805 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -85.46 131.18 34.42 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.424 -0.954 . . . . 1.3700000000000001 108.424 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 116.86 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.49 -0.756 . . . . 0.47999999999999998 109.503 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.531 ' HE ' ' CB ' ' B' ' 324' ' ' ASP . 31.7 ttt-85 -75.18 151.34 38.5 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.598 -0.689 . . . . 2.0800000000000001 109.668 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.74 132.81 2.57 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.247 -1.141 . . . . 0.40000000000000002 110.247 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.29 -48.21 14.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -1.09 . . . . 2.6400000000000001 109.339 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.628 ' CD ' ' H ' ' D' ' 336' ' ' GLU . 1.6 pm0 -59.22 -39.61 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.038 -1.039 . . . . 2.2200000000000002 108.904 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.55 -41.52 98.43 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.276 -0.89 . . . . 2.7400000000000002 109.161 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.6 -57.11 13.32 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.66 -0.65 . . . . 0.42999999999999999 109.926 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.457 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 80.3 mm-40 -51.27 -37.56 47.9 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.272 -0.892 . . . . 1.6899999999999999 109.849 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -63.88 -52.68 58.85 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.233 -0.917 . . . . 0.42999999999999999 110.312 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.018 -1.051 . . . . 0.27000000000000002 109.242 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.457 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 41.7 ttp180 -51.44 -44.75 62.44 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.156 -0.965 . . . . 2.4500000000000002 109.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.38 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 1.75 109.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.9 -40.94 94.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.31 108.997 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -58.08 -54.43 47.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.285 -0.884 . . . . 1.22 109.248 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -63.78 -31.08 72.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 1.73 109.405 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.89 63.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.313 -0.867 . . . . 0.28000000000000003 109.931 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.26 -45.23 95.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.23 -0.919 . . . . 0.31 109.266 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.128 -0.982 . . . . 1.9099999999999999 109.334 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.8 -48.17 77.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.42999999999999999 109.224 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -63.28 -46.91 84.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.403 -0.811 . . . . 1.5700000000000001 108.851 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.85 -30.14 63.52 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.647 -0.658 . . . . 1.4399999999999999 109.679 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -47.16 73.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.64000000000000001 109.621 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -81.64 -7.88 59.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 1.21 109.426 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -50.8 25.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.324 -0.86 . . . . 1.22 109.467 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.88 53.15 3.69 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.747 -1.341 . . . . 1.5 109.747 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.95 144.41 28.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -1.152 . . . . 4.1799999999999997 109.383 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -47.54 110.59 1.39 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.352 -0.842 . . . . 5.6699999999999999 109.435 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.6 111.33 1.14 Allowed 'Trans proline' 0 C--O 1.214 -0.682 0 N-CA-C 109.855 -0.864 . . . . 5.6500000000000004 109.855 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.493 -1.443 . . . . 7.2699999999999996 109.493 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.347 0.594 . . . . 7.3300000000000001 109.5 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.36 -107.7 0.39 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 7.21 109.376 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 51.9 82.01 0.25 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.886 -1.133 . . . . 6.4699999999999998 109.694 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -63.95 -170.84 0.13 Allowed 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 121.39 1.393 . . . . 4.5300000000000002 110.042 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.12 109.53 14.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 4.3499999999999996 109.29 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -80.74 -106.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.892 . . . . 2.48 109.657 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.427 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -69.39 147.96 46.45 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.775 -1.33 . . . . 0.97999999999999998 109.775 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.24 141.16 56.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.429 -1.042 . . . . 1.7 109.693 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.31 155.77 16.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.92 . . . . 0.60999999999999999 109.414 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.72 1.67 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.242 -0.911 . . . . 0.57999999999999996 109.533 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.9 p -152.12 147.42 26.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.245 -0.91 . . . . 0.41999999999999998 109.131 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.01 133.89 36.01 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.418 -0.801 . . . . 0.35999999999999999 110.187 -178.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.23 129.34 34.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 1.3700000000000001 109.13 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.96 119.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.506 -0.746 . . . . 0.46999999999999997 109.188 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.439 HH21 ' H ' ' C' ' 325' ' ' GLY . 4.1 tmt_? -74.22 152.02 39.84 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.64 -0.663 . . . . 2.1000000000000001 110.214 -179.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.63 139.93 2.47 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.321 -1.111 . . . . 0.41999999999999998 110.321 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.485 ' HG3' HH11 ' A' ' 335' ' ' ARG . 6.6 ttm-85 -79.78 -44.55 20.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.415 -1.05 . . . . 2.6800000000000002 109.227 179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.03 -41.93 84.25 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.233 -0.917 . . . . 2.2200000000000002 109.121 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -62.49 -43.44 98.81 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.392 -0.817 . . . . 2.77 109.015 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.84 -57.9 10.1 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.621 -0.674 . . . . 0.42999999999999999 109.609 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 30.6 mm-40 -51.66 -39.29 57.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 109.856 -179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.68 -52.41 60.76 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.227 -0.92 . . . . 0.44 110.225 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.11 -47.29 86.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.099 -1.001 . . . . 0.28999999999999998 109.243 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 42.2 ttp180 -50.92 -42.39 59.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 2.4399999999999999 109.543 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.86 -41.85 87.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.917 . . . . 1.74 109.784 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.11 -47.98 82.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.166 -0.959 . . . . 0.29999999999999999 109.36 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.51 -47.71 78.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.154 -0.966 . . . . 1.22 109.516 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -39.62 93.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 1.72 109.765 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -50.61 73.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 0.27000000000000002 109.723 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.06 -44.5 96.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 0.28999999999999998 109.682 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.73 -33.97 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.426 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' B' ' 350' ' ' LEU . 2.4 tt -64.93 -52.23 57.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.333 -0.854 . . . . 0.40999999999999998 109.317 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.26 -44.29 97.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.341 -0.849 . . . . 1.5600000000000001 109.245 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.93 -35.15 68.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.533 -0.73 . . . . 1.4299999999999999 109.53 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.79 84.79 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.278 -0.889 . . . . 0.66000000000000003 109.682 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.65 -6.96 59.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.1799999999999999 109.642 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.03 7.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.059 -1.026 . . . . 1.23 109.451 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.2 -3.02 87.64 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.225 -1.15 . . . . 1.54 110.225 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.8 23.98 1.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.915 -1.344 . . . . 4.1799999999999997 109.626 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' A' ' 360' ' ' GLY . 52.5 mt-10 -46.74 110.04 1.17 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 5.71 109.548 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.33 6.89 0.27 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 120.754 0.969 . . . . 5.6100000000000003 110.27 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.39 0 CA-C-O 117.937 -1.48 . . . . 7.2400000000000002 109.589 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.46 -0.57 . . . . 7.3399999999999999 109.46 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.34 -107.7 0.39 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 7.1699999999999999 109.482 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 51.86 82.04 0.25 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 120.896 -1.128 . . . . 6.4400000000000004 109.667 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -63.94 -170.84 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.378 1.386 . . . . 4.54 110.09 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.3 mt -80.09 109.43 14.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 4.3200000000000003 109.328 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.76 -106.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -0.867 . . . . 2.4700000000000002 109.626 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.459 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -69.36 147.97 46.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.822 -1.311 . . . . 0.94999999999999996 109.822 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.29 141.23 56.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -1.081 . . . . 1.6100000000000001 109.687 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.42 155.8 16.79 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.282 -0.886 . . . . 0.56999999999999995 109.465 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.15 -164.74 1.68 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.363 -0.836 . . . . 0.53000000000000003 109.495 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.6 p -151.99 147.61 26.75 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.192 -0.942 . . . . 0.38 109.13 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.9 tp -137.29 133.74 35.33 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.462 -0.774 . . . . 0.35999999999999999 110.17 -178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.15 129.39 34.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.492 -0.755 . . . . 1.3600000000000001 109.076 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.02 119.04 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.522 -0.736 . . . . 0.48999999999999999 109.203 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.461 HH21 ' H ' ' D' ' 325' ' ' GLY . 4.1 tmt_? -74.23 152.03 39.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.588 -0.695 . . . . 2.1000000000000001 110.153 -179.39 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.47 139.99 2.42 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.381 -1.088 . . . . 0.44 110.381 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 335' ' ' ARG . 6.5 ttm-85 -79.78 -44.57 20.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.446 -1.032 . . . . 2.7200000000000002 109.228 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.0 -41.96 84.18 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 2.21 109.058 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.54 -43.44 98.8 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.331 -0.856 . . . . 2.79 109.007 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.68 -57.98 9.72 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.646 -0.659 . . . . 0.45000000000000001 109.644 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 30.7 mm-40 -51.67 -39.34 58.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.339 -0.85 . . . . 1.6799999999999999 109.741 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.69 -52.46 60.53 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.234 -0.916 . . . . 0.42999999999999999 110.182 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.02 -47.37 86.76 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 0.28000000000000003 109.214 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.453 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 42.1 ttp180 -50.97 -42.33 59.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.239 -0.913 . . . . 2.52 109.536 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.82 -41.93 87.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.909 . . . . 1.75 109.782 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.02 -48.02 82.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.161 -0.962 . . . . 0.31 109.397 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -56.46 -47.73 78.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 1.21 109.515 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.34 -39.85 94.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.932 . . . . 1.6899999999999999 109.744 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.67 72.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.733 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.08 -44.6 96.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.29999999999999999 109.607 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.63 -33.89 72.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 1.9299999999999999 109.516 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.609 HD22 HD22 ' A' ' 350' ' ' LEU . 2.4 tt -65.12 -52.16 57.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.408 -0.808 . . . . 0.40000000000000002 109.247 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.21 -44.35 97.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 1.5900000000000001 109.187 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 -35.16 68.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.503 -0.748 . . . . 1.4299999999999999 109.508 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -38.74 84.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 0.65000000000000002 109.7 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.62 -7.0 59.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 1.1899999999999999 109.687 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.04 7.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 1.22 109.395 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 -2.99 87.49 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.182 -1.167 . . . . 1.53 110.182 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -84.83 24.03 1.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.038 -1.272 . . . . 4.21 109.682 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.481 ' C ' ' H ' ' B' ' 360' ' ' GLY . 52.3 mt-10 -46.73 110.06 1.17 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.359 -0.838 . . . . 5.6799999999999997 109.548 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.33 7.02 0.25 Allowed 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 120.73 0.953 . . . . 5.5700000000000003 110.22 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.529 -1.428 . . . . 7.2000000000000002 109.529 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.487 -0.56 . . . . 8.9600000000000009 109.487 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.22 -107.62 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.875 . . . . 8.1500000000000004 109.495 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 51.82 82.11 0.25 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 7.1500000000000004 109.641 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.07 -170.83 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.811 0 C-N-CA 121.33 1.353 . . . . 4.3499999999999996 110.115 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.13 109.48 14.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 4.6299999999999999 109.363 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.69 -106.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 2.8500000000000001 109.665 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.439 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -69.27 147.95 46.64 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.862 -1.295 . . . . 1.1200000000000001 109.862 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.26 141.24 56.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.375 -1.073 . . . . 2.1099999999999999 109.664 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.41 155.83 16.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.287 -0.883 . . . . 0.64000000000000001 109.388 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -138.12 -164.8 1.68 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.48999999999999999 109.5 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.7 p -152.07 147.42 26.46 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.149 -0.97 . . . . 0.46999999999999997 109.171 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.0 133.81 35.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 110.312 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.12 129.46 34.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.458 -0.776 . . . . 1.8100000000000001 109.08 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -124.11 118.88 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.437 -0.789 . . . . 0.41999999999999998 109.259 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.427 HH21 ' H ' ' A' ' 325' ' ' GLY . 4.1 tmt_? -74.14 151.99 39.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 2.3500000000000001 110.278 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.61 140.1 2.5 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.282 -1.127 . . . . 0.40999999999999998 110.282 179.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.466 HH11 ' HG3' ' C' ' 335' ' ' ARG . 6.6 ttm-85 -79.93 -44.51 20.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -1.087 . . . . 2.5899999999999999 109.247 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.08 -41.92 84.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 2.54 109.106 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.289 -0.882 . . . . 3.3900000000000001 109.061 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -55.83 -57.88 10.19 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.666 -0.646 . . . . 0.46999999999999997 109.641 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 30.5 mm-40 -51.7 -39.19 57.9 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.818 . . . . 1.6599999999999999 109.852 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.5 ttp -63.8 -52.4 60.42 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.213 -0.929 . . . . 0.60999999999999999 110.168 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.18 -47.28 86.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.181 -0.95 . . . . 0.33000000000000002 109.16 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.446 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 42.2 ttp180 -50.86 -42.42 58.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.222 -0.924 . . . . 3.2799999999999998 109.588 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.82 -41.95 88.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.294 -0.879 . . . . 1.78 109.773 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.0 -47.96 82.44 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.899 . . . . 0.38 109.38 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -56.55 -47.74 78.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.877 . . . . 1.2 109.495 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.28 -39.8 94.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 2.1200000000000001 109.729 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.95 -50.76 72.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.199 -0.938 . . . . 0.26000000000000001 109.679 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.02 -44.62 96.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.354 -0.841 . . . . 0.40000000000000002 109.654 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -33.94 72.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 2.0899999999999999 109.482 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' D' ' 350' ' ' LEU . 2.4 tt -65.03 -52.24 57.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.384 -0.823 . . . . 0.75 109.217 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.16 -44.36 97.43 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.326 -0.859 . . . . 2.1899999999999999 109.22 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.85 -35.26 68.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.473 -0.767 . . . . 1.3400000000000001 109.506 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.76 84.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.71999999999999997 109.707 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.71 -6.9 59.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.297 -0.877 . . . . 1.8 109.602 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -1.03 7.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.094 -1.004 . . . . 1.3899999999999999 109.427 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 -2.9 87.5 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.239 -1.144 . . . . 1.6599999999999999 110.239 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.8 23.86 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.955 -1.321 . . . . 4.4500000000000002 109.638 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' C' ' 360' ' ' GLY . 52.5 mt-10 -46.71 110.03 1.16 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 6.1900000000000004 109.487 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.2 6.8 0.27 Allowed 'Trans proline' 0 N--CA 1.479 0.663 0 C-N-CA 120.799 0.999 . . . . 5.5800000000000001 110.251 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.353 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.646 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.315 0.578 . . . . 7.3600000000000003 109.502 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 57.27 -107.73 0.39 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.273 -0.892 . . . . 7.1500000000000004 109.446 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 51.94 82.01 0.25 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 120.824 -1.172 . . . . 6.5 109.658 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -63.97 -170.85 0.13 Allowed 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.378 1.385 . . . . 4.5 110.084 -179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.12 109.44 14.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 4.3200000000000003 109.318 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.76 -106.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 2.46 109.577 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.461 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -69.27 147.94 46.63 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.842 -1.303 . . . . 0.96999999999999997 109.842 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.23 141.22 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.6699999999999999 109.729 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -94.37 155.81 16.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.219 -0.925 . . . . 0.60999999999999999 109.434 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -138.12 -164.67 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.345 -0.847 . . . . 0.56000000000000005 109.571 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.1 p -152.02 147.56 26.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.252 -0.905 . . . . 0.42999999999999999 109.157 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.5 tp -137.14 133.82 35.71 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.511 -0.743 . . . . 0.34999999999999998 110.232 -178.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -86.14 129.4 34.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.484 -0.76 . . . . 1.3700000000000001 109.098 179.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -124.08 119.04 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.515 -0.74 . . . . 0.47999999999999998 109.207 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.459 HH21 ' H ' ' B' ' 325' ' ' GLY . 4.1 tmt_? -74.18 152.07 39.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 2.0800000000000001 110.223 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.48 140.04 2.44 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.335 -1.106 . . . . 0.40000000000000002 110.335 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.486 HH11 ' HG3' ' D' ' 335' ' ' ARG . 6.6 ttm-85 -79.84 -44.54 20.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 2.6400000000000001 109.215 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -58.1 -41.88 84.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.038 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -62.51 -43.5 98.67 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.293 -0.879 . . . . 2.7400000000000002 108.993 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.68 -57.94 9.9 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.404 0.621 . . . . 0.42999999999999999 109.665 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.447 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 30.5 mm-40 -51.66 -39.38 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.389 -0.82 . . . . 1.6899999999999999 109.798 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.4 ttp -63.57 -52.52 60.67 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.252 -0.905 . . . . 0.42999999999999999 110.182 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.07 -47.35 86.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.127 -0.983 . . . . 0.27000000000000002 109.151 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.447 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 42.2 ttp180 -50.87 -42.45 58.92 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.289 -0.882 . . . . 2.4500000000000002 109.548 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.88 -41.82 88.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 1.75 109.706 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.12 -48.01 82.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.971 . . . . 0.31 109.325 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -56.41 -47.76 78.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.22 109.534 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.33 -39.91 94.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 1.73 109.745 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.76 -50.84 72.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.198 -0.939 . . . . 0.28000000000000003 109.712 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.4 mt -61.99 -44.59 96.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.387 -0.82 . . . . 0.31 109.65 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.67 -33.96 72.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.147 -0.971 . . . . 1.9099999999999999 109.399 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.575 HD22 HD22 ' C' ' 350' ' ' LEU . 2.4 tt -64.89 -52.35 57.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 0.42999999999999999 109.248 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -61.2 -44.29 97.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.263 -0.898 . . . . 1.5700000000000001 109.225 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.84 -35.33 68.71 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.542 -0.724 . . . . 1.4399999999999999 109.51 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.76 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.64000000000000001 109.751 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.63 -6.92 59.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 1.21 109.69 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -0.99 7.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.107 -0.996 . . . . 1.22 109.443 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 -2.93 87.56 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.218 -1.153 . . . . 1.5 110.218 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -84.84 23.91 1.12 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.985 -1.303 . . . . 4.1799999999999997 109.6 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' D' ' 360' ' ' GLY . 52.4 mt-10 -46.61 110.03 1.15 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.386 -0.821 . . . . 5.6699999999999999 109.565 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.29 6.83 0.27 Allowed 'Trans proline' 0 N--CA 1.479 0.668 0 C-N-CA 120.792 0.995 . . . . 5.6500000000000004 110.248 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.043 -1.42 . . . . 7.2699999999999996 109.577 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.442 ' CG ' ' H ' ' A' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.347 -0.612 . . . . 7.3300000000000001 109.347 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.442 ' H ' ' CG ' ' A' ' 319' ' ' LYS . 29.5 mtmt 59.16 113.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.329 -0.857 . . . . 7.21 109.479 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 323' ' ' LEU . 63.5 mttm 54.3 70.33 1.75 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.308 -0.87 . . . . 6.4699999999999998 109.338 -179.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.06 24.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.939 0 C-N-CA 122.154 1.903 . . . . 4.5300000000000002 110.749 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.5 mt -79.2 104.75 10.04 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.822 -1.174 . . . . 4.3499999999999996 109.029 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -81.11 -145.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.468 -0.77 . . . . 2.48 109.984 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 172.28 34.46 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.863 -1.295 . . . . 0.97999999999999998 109.863 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.01 135.61 57.76 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.392 -1.064 . . . . 1.7 109.603 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -94.01 155.11 17.3 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.391 -0.818 . . . . 0.60999999999999999 109.517 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.504 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 88.1 m-85 -136.59 -170.0 2.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.742 . . . . 0.57999999999999996 109.162 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.8 p -151.65 150.42 30.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.285 -0.885 . . . . 0.41999999999999998 108.921 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 56.4 tp -145.85 136.79 24.53 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.832 . . . . 0.35999999999999999 109.752 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 26.3 tp60 -84.68 129.68 34.8 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.89 114.72 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.46 -0.775 . . . . 0.46999999999999997 109.537 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.84 151.1 39.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.67 -0.644 . . . . 2.1000000000000001 110.01 -179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.58 2.07 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.372 -1.091 . . . . 0.41999999999999998 110.372 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.534 ' NH1' ' HG2' ' A' ' 335' ' ' ARG . 3.7 tpt180 -78.57 -46.76 18.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.417 -1.049 . . . . 2.6800000000000002 108.974 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.31 -43.85 83.63 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.187 -0.945 . . . . 2.2200000000000002 108.842 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.79 -42.94 99.64 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.453 -0.779 . . . . 2.77 109.087 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.57 -57.3 12.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.42999999999999999 109.774 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -52.02 -37.07 52.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.312 -0.868 . . . . 1.6599999999999999 109.72 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.3 -53.23 56.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.249 -0.907 . . . . 0.44 110.067 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.58 -43.96 97.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.28999999999999998 109.296 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.21 -43.33 61.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.876 . . . . 2.4399999999999999 109.312 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.39 -45.56 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.364 -0.835 . . . . 1.74 109.552 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.8 -44.57 96.6 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.23 -0.919 . . . . 0.29999999999999999 109.253 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.95 -51.11 71.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.851 . . . . 1.22 109.37 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.79 -36.45 81.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.345 -0.847 . . . . 1.72 109.365 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.65 -51.16 71.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.386 -0.822 . . . . 0.27000000000000002 109.565 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.16 -42.34 99.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 0.28999999999999998 109.35 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.42 -40.97 83.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 108.963 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.43 -42.2 98.68 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.277 -0.889 . . . . 0.40999999999999998 108.654 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.17 -46.48 88.75 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.639 -0.874 . . . . 1.5600000000000001 108.639 178.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -34.69 67.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.758 -0.588 . . . . 1.4299999999999999 109.42 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -26.72 67.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.66000000000000003 109.244 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -83.49 -12.93 55.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.362 -0.836 . . . . 1.1799999999999999 109.339 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.25 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 1.23 109.468 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.62 75.54 0.41 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.564 -1.414 . . . . 1.54 109.564 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -85.95 -75.05 0.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -1.107 . . . . 4.1799999999999997 109.087 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 360' ' ' GLY . 28.8 mt-10 -51.7 158.03 1.72 Allowed Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.435 -0.79 . . . . 5.71 109.515 -179.834 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.4 8.34 0.12 Allowed 'Trans proline' 0 C--N 1.322 -0.829 0 C-N-CA 121.417 1.412 . . . . 5.6100000000000003 110.365 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 109.383 -1.487 . . . . 7.2400000000000002 109.383 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.443 ' CG ' ' H ' ' B' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.312 -0.625 . . . . 7.3399999999999999 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.443 ' H ' ' CG ' ' B' ' 319' ' ' LYS . 29.7 mtmt 59.04 113.9 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.264 -0.898 . . . . 7.1699999999999999 109.511 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' B' ' 323' ' ' LEU . 63.9 mttm 54.38 70.03 1.87 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.3 -0.875 . . . . 6.4400000000000004 109.378 -179.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.07 24.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.967 0 C-N-CA 122.114 1.876 . . . . 4.54 110.792 -179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.5 mt -79.21 104.7 10.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.871 -1.143 . . . . 4.3200000000000003 109.041 179.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -81.34 -147.94 0.06 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.418 -0.801 . . . . 2.4700000000000002 109.913 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -65.97 172.26 25.52 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.963 -1.255 . . . . 0.94999999999999996 109.963 -179.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.29 135.71 57.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 1.6100000000000001 109.591 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -93.99 155.16 17.28 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 0.56999999999999995 109.43 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.523 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 87.8 m-85 -136.58 -169.88 2.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.473 -0.767 . . . . 0.53000000000000003 109.122 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.8 p -151.68 150.58 30.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.255 -0.903 . . . . 0.38 108.952 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 56.3 tp -145.98 136.72 24.3 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.35999999999999999 109.83 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 26.2 tp60 -84.66 129.68 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.57 -0.9 . . . . 1.3600000000000001 108.57 178.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -123.88 114.62 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.48 -0.762 . . . . 0.48999999999999999 109.55 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -74.69 151.13 39.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.703 -0.623 . . . . 2.1000000000000001 110.166 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.97 133.35 2.0 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.314 -1.114 . . . . 0.44 110.314 178.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.544 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 3.7 tpt180 -78.44 -46.64 19.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -1.04 . . . . 2.7200000000000002 108.981 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -57.32 -44.17 83.95 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.135 -0.978 . . . . 2.21 108.717 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.71 -42.75 99.37 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 2.79 109.027 179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.69 -57.34 12.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.592 -0.693 . . . . 0.45000000000000001 109.733 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.96 -37.01 51.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.829 . . . . 1.6799999999999999 109.786 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.3 55.19 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.248 -0.908 . . . . 0.42999999999999999 110.083 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.51 -43.89 98.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.28000000000000003 109.356 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.29 -43.35 61.62 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.339 -0.85 . . . . 2.52 109.294 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.55 93.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.75 109.585 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.85 -44.49 96.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.258 -0.901 . . . . 0.31 109.225 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.01 -51.09 71.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.286 -0.884 . . . . 1.21 109.367 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -61.85 -36.36 80.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.309 -0.87 . . . . 1.6899999999999999 109.328 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.5 -51.53 69.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 0.27000000000000002 109.61 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.07 -42.28 99.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.942 . . . . 0.29999999999999999 109.413 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -58.3 -40.95 83.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 1.9299999999999999 109.011 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.7 -42.16 98.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.318 -0.864 . . . . 0.40000000000000002 108.754 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.99 -46.35 89.64 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.585 -0.894 . . . . 1.5900000000000001 108.585 178.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.98 67.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.725 -0.609 . . . . 1.4299999999999999 109.498 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -26.61 67.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -0.901 . . . . 0.65000000000000002 109.195 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -83.47 -12.95 55.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 1.1899999999999999 109.348 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.23 -85.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 1.22 109.502 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.59 75.41 0.41 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.617 -1.393 . . . . 1.53 109.617 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -85.94 -74.96 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -1.083 . . . . 4.21 109.057 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 360' ' ' GLY . 28.2 mt-10 -51.9 157.9 1.89 Allowed Pre-proline 0 C--N 1.302 -1.466 0 O-C-N 121.484 -0.76 . . . . 5.6799999999999997 109.377 -179.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.35 8.57 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 121.479 1.453 . . . . 5.5700000000000003 110.377 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.405 -1.478 . . . . 7.2000000000000002 109.405 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' C' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.3 -0.63 . . . . 8.9600000000000009 109.3 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.44 ' H ' ' CG ' ' C' ' 319' ' ' LYS . 29.7 mtmt 59.13 114.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.321 -0.862 . . . . 8.1500000000000004 109.431 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.555 ' C ' ' H ' ' C' ' 323' ' ' LEU . 63.8 mttm 54.15 70.17 1.83 Allowed Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.425 -0.797 . . . . 7.1500000000000004 109.351 -179.379 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.0 24.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.318 -1.044 0 C-N-CA 122.128 1.886 . . . . 4.3499999999999996 110.757 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.555 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.7 mt -79.17 104.78 10.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.843 -1.16 . . . . 4.6299999999999999 109.02 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -81.26 -146.14 0.06 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.488 -0.758 . . . . 2.8500000000000001 109.952 -179.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.92 172.29 33.39 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.872 -1.291 . . . . 1.1200000000000001 109.872 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.19 135.51 57.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.387 -1.067 . . . . 2.1099999999999999 109.514 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -93.94 155.07 17.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.91 . . . . 0.64000000000000001 109.454 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.502 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 88.1 m-85 -136.58 -170.13 2.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.494 -0.754 . . . . 0.48999999999999999 109.175 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -151.54 150.67 30.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.277 -0.89 . . . . 0.46999999999999997 108.925 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -145.95 136.91 24.53 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.329 -0.857 . . . . 0.41999999999999998 109.769 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 26.7 tp60 -84.72 129.62 34.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.583 -0.895 . . . . 1.8100000000000001 108.583 178.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.0 mt -123.83 114.67 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.391 -0.818 . . . . 0.41999999999999998 109.539 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.75 150.93 39.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.589 -0.694 . . . . 2.3500000000000001 110.052 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.19 133.05 2.03 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.4 -1.08 . . . . 0.40999999999999998 110.4 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.534 ' NH1' ' HG2' ' C' ' 335' ' ' ARG . 3.7 tpt180 -78.13 -46.67 20.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -1.054 . . . . 2.5899999999999999 109.093 179.336 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.32 -44.18 83.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.168 -0.957 . . . . 2.54 108.768 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -61.54 -42.95 99.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.418 -0.801 . . . . 3.3900000000000001 109.04 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -55.5 -57.41 12.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.551 -0.718 . . . . 0.46999999999999997 109.786 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -51.97 -36.96 51.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.717 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.34 -53.22 55.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.24 -0.913 . . . . 0.60999999999999999 110.082 -179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.55 -43.95 97.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.33000000000000002 109.329 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.18 -43.39 61.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.311 -0.868 . . . . 3.2799999999999998 109.42 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.37 -45.51 93.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.78 109.608 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.287 -0.883 . . . . 0.38 109.233 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -57.99 -51.16 70.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.375 -0.828 . . . . 1.2 109.415 179.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -61.88 -36.31 80.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 2.1200000000000001 109.387 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.56 -51.4 70.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -0.846 . . . . 0.26000000000000001 109.598 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.22 -42.27 99.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.40000000000000002 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -58.26 -41.08 83.49 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.377 -0.827 . . . . 2.0899999999999999 108.966 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.55 -42.11 98.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 0.75 108.705 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -62.06 -46.38 89.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.571 -0.9 . . . . 2.1899999999999999 108.571 178.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.79 -34.71 67.91 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.726 -0.609 . . . . 1.3400000000000001 109.478 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -26.61 66.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.71999999999999997 109.206 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -83.62 -12.96 55.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.248 -0.907 . . . . 1.8 109.312 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.2 -85.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.22 -0.925 . . . . 1.3899999999999999 109.541 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.66 75.55 0.41 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.534 -1.427 . . . . 1.6599999999999999 109.534 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -86.0 -75.14 0.39 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.303 -1.116 . . . . 4.4500000000000002 108.958 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' C' ' 360' ' ' GLY . 28.1 mt-10 -51.86 157.95 1.85 Allowed Pre-proline 0 C--N 1.303 -1.428 0 O-C-N 121.385 -0.822 . . . . 6.1900000000000004 109.448 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.26 8.42 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 121.467 1.444 . . . . 5.5800000000000001 110.368 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.388 -1.485 . . . . 6.9000000000000004 109.388 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.45 ' CG ' ' H ' ' D' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.312 -0.625 . . . . 7.3600000000000003 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.45 ' H ' ' CG ' ' D' ' 319' ' ' LYS . 29.5 mtmt 59.06 113.85 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -0.826 . . . . 7.1500000000000004 109.555 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' D' ' 323' ' ' LEU . 63.5 mttm 54.27 70.15 1.83 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.838 . . . . 6.5 109.334 -179.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -64.01 24.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.135 1.89 . . . . 4.5 110.807 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' D' ' 321' ' ' LYS . 18.7 mt -79.09 104.61 9.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.85 -1.156 . . . . 4.3200000000000003 109.072 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -81.21 -146.14 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.454 -0.779 . . . . 2.46 110.019 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 172.09 33.8 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.897 -1.281 . . . . 0.96999999999999997 109.897 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.0 135.66 57.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.406 -1.055 . . . . 1.6699999999999999 109.591 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.99 155.06 17.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.344 -0.847 . . . . 0.60999999999999999 109.422 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.495 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 87.6 m-85 -136.62 -169.93 2.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.493 -0.755 . . . . 0.56000000000000005 109.149 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -151.7 150.4 30.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.181 -0.949 . . . . 0.42999999999999999 108.989 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 56.1 tp -145.88 136.85 24.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.285 -0.884 . . . . 0.34999999999999998 109.766 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 26.2 tp60 -84.67 129.69 34.8 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.578 -0.897 . . . . 1.3700000000000001 108.578 178.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.6 mt -123.96 114.85 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.47999999999999998 109.542 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -74.83 151.01 39.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.612 -0.68 . . . . 2.0800000000000001 110.039 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.04 133.31 2.02 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.409 -1.076 . . . . 0.40000000000000002 110.409 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.538 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 3.7 tpt180 -78.22 -46.79 19.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.44 -1.035 . . . . 2.6400000000000001 109.077 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.28 -44.0 83.61 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 108.822 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.81 -42.79 99.46 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.445 -0.784 . . . . 2.7400000000000002 109.081 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.71 -57.27 12.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.544 -0.723 . . . . 0.42999999999999999 109.689 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.94 -37.21 51.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.6899999999999999 109.662 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.24 -53.17 57.24 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.17 -0.956 . . . . 0.42999999999999999 110.089 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.54 -43.91 98.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.27000000000000002 109.363 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -51.29 -43.4 61.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 2.4500000000000002 109.339 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.36 -45.6 92.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.319 -0.863 . . . . 1.75 109.574 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.79 -44.4 96.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -0.897 . . . . 0.31 109.263 179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -58.04 -51.12 71.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 1.22 109.311 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -61.94 -36.21 80.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 1.73 109.342 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.553 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.64 -51.31 70.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.372 -0.83 . . . . 0.28000000000000003 109.598 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.06 -42.44 99.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.223 -0.923 . . . . 0.31 109.392 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.32 -40.97 83.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.345 -0.847 . . . . 1.9099999999999999 108.96 179.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 49.9 tp -63.52 -42.04 98.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.286 -0.884 . . . . 0.42999999999999999 108.687 179.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -62.23 -46.5 88.57 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.594 -0.891 . . . . 1.5700000000000001 108.594 178.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -34.74 67.63 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.721 -0.612 . . . . 1.4399999999999999 109.413 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -26.71 66.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 0.64000000000000001 109.178 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -83.58 -12.91 55.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.367 -0.833 . . . . 1.21 109.329 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.28 -85.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 1.22 109.464 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -69.55 75.36 0.4 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.623 -1.391 . . . . 1.5 109.623 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -85.83 -75.05 0.39 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -1.139 . . . . 4.1799999999999997 109.086 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' D' ' 360' ' ' GLY . 28.3 mt-10 -51.79 157.93 1.81 Allowed Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.472 -0.767 . . . . 5.6699999999999999 109.382 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.27 8.57 0.11 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.484 1.456 . . . . 5.6500000000000004 110.368 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.302 -1.519 . . . . 7.2699999999999996 109.302 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 320' ' ' LYS . 61.3 mttm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.34 0.591 . . . . 7.3300000000000001 109.56 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 319' ' ' LYS . 75.0 tttt 56.26 105.29 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.346 -0.846 . . . . 7.21 109.907 179.57 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 323' ' ' LEU . 26.5 mmtm 50.44 70.96 1.71 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.374 -0.829 . . . . 6.4699999999999998 109.612 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.47 11.9 0.16 Allowed 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.612 1.541 . . . . 4.5300000000000002 110.016 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 321' ' ' LYS . 18.0 mt -80.22 54.08 1.9 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.242 -0.911 . . . . 4.3499999999999996 109.253 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 0.8 OUTLIER -79.7 -135.21 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.661 -0.649 . . . . 2.48 109.542 -179.914 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.14 152.69 52.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.438 . . . . 0.97999999999999998 109.504 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -58.64 132.3 53.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -1.092 . . . . 1.7 109.531 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.85 157.63 16.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.356 -0.84 . . . . 0.60999999999999999 109.458 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.8 -169.78 2.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 109.4 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.98 149.71 29.92 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.571 -0.9 . . . . 0.41999999999999998 108.571 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -143.27 133.29 24.22 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.367 -0.833 . . . . 0.35999999999999999 109.606 -178.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -84.23 130.67 34.81 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.607 -0.886 . . . . 1.3700000000000001 108.607 179.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.93 117.0 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.465 -0.772 . . . . 0.46999999999999997 109.418 -179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.32 152.38 38.16 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.543 -0.723 . . . . 2.1000000000000001 109.959 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.32 134.23 1.3 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.386 -1.086 . . . . 0.41999999999999998 110.386 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -80.45 -43.56 20.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.399 -1.059 . . . . 2.6800000000000002 109.134 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -58.77 -42.95 90.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.154 -0.966 . . . . 2.2200000000000002 108.911 179.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.18 -41.22 99.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.385 -0.822 . . . . 2.77 109.148 179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -55.77 -55.72 29.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.561 -0.712 . . . . 0.42999999999999999 109.73 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -51.59 -38.36 54.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.6599999999999999 109.823 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.39 -51.57 67.05 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.303 -0.873 . . . . 0.44 109.971 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.1 -45.01 96.45 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.2 -0.937 . . . . 0.28999999999999998 108.959 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.49 -42.39 61.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 2.4399999999999999 109.416 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.38 -53.39 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.302 -0.874 . . . . 1.74 109.631 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.91 -38.3 81.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 0.29999999999999999 108.815 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.74 31.25 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.399 -0.813 . . . . 1.22 109.154 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.41 -31.71 72.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.39 -0.819 . . . . 1.72 109.356 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.56 -54.09 51.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.27000000000000002 109.915 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.0 -44.83 96.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.28999999999999998 109.253 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -58.57 -34.76 71.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 108.993 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -64.19 -50.5 67.85 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.968 -0.753 . . . . 0.40999999999999998 108.968 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.687 -0.857 . . . . 1.5600000000000001 108.687 179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.47 -32.08 64.62 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.205 -0.665 . . . . 1.4299999999999999 109.205 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.89 83.51 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.38 -0.825 . . . . 0.66000000000000003 109.569 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.38 -5.03 57.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.287 -0.883 . . . . 1.1799999999999999 109.344 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.32 -1.84 11.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.218 -0.926 . . . . 1.23 109.068 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.9 -79.03 0.54 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.429 -1.468 . . . . 1.54 109.429 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -82.89 124.94 30.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -1.139 . . . . 4.1799999999999997 109.323 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.73 148.96 6.51 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.314 -0.866 . . . . 5.71 108.985 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -52.01 146.63 29.05 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.098 1.199 . . . . 5.6100000000000003 110.01 179.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.976 -1.458 . . . . 7.2400000000000002 109.482 179.908 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 320' ' ' LYS . 61.4 mttm . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.309 0.576 . . . . 7.3399999999999999 109.515 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 319' ' ' LYS . 74.9 tttt 56.31 105.24 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 7.1699999999999999 109.947 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 323' ' ' LEU . 26.4 mmtm 50.41 70.86 1.77 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 6.4400000000000004 109.669 179.611 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.36 11.9 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.576 1.517 . . . . 4.54 110.042 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' B' ' 321' ' ' LYS . 18.0 mt -80.1 53.94 1.83 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 4.3200000000000003 109.22 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 0.8 OUTLIER -79.67 -135.54 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.701 -0.624 . . . . 2.4700000000000002 109.6 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.6 152.58 52.68 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.518 -1.433 . . . . 0.94999999999999996 109.518 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -58.63 132.25 53.26 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 1.6100000000000001 109.54 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -92.82 157.59 16.32 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.239 -0.913 . . . . 0.56999999999999995 109.434 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.82 -169.85 2.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.53000000000000003 109.319 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.6 p -150.92 149.92 30.22 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.579 -0.897 . . . . 0.38 108.579 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -143.37 133.32 24.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.358 -0.839 . . . . 0.35999999999999999 109.594 -178.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.17 130.59 34.83 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -122.85 117.0 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.427 -0.796 . . . . 0.48999999999999999 109.429 -179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.31 152.31 38.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.678 -0.639 . . . . 2.1000000000000001 109.931 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.37 134.49 1.35 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 110.362 -1.095 . . . . 0.44 110.362 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.67 -43.6 20.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.477 -1.014 . . . . 2.7200000000000002 109.035 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.68 -43.02 89.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.233 -0.917 . . . . 2.21 108.944 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.19 -41.12 99.14 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.345 -0.847 . . . . 2.79 109.133 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -55.84 -55.59 30.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.454 -0.779 . . . . 0.45000000000000001 109.769 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -51.62 -38.49 54.94 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.729 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -62.26 -51.67 66.8 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.227 -0.921 . . . . 0.42999999999999999 110.052 -179.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.08 -44.88 96.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.108 -0.995 . . . . 0.28000000000000003 109.007 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -51.48 -42.61 61.76 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.201 -0.937 . . . . 2.52 109.447 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.1 -53.41 58.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.872 . . . . 1.75 109.748 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -59.86 -38.47 82.23 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.31 108.821 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.84 -55.68 31.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 1.21 109.118 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -31.78 73.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.376 -0.827 . . . . 1.6899999999999999 109.361 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.67 -53.97 52.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 0.27000000000000002 109.83 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.0 -44.86 96.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.226 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.54 -34.75 71.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.901 . . . . 1.9299999999999999 108.942 179.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -64.1 -50.46 68.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.49 -0.756 . . . . 0.40000000000000002 109.001 179.733 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -60.29 -46.8 88.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.646 -0.872 . . . . 1.5900000000000001 108.646 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.1 64.58 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.187 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.01 84.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 0.65000000000000002 109.638 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.41 -5.06 57.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.829 . . . . 1.1899999999999999 109.318 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.16 -2.03 11.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 1.22 109.127 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.87 -78.81 0.55 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.458 -1.457 . . . . 1.53 109.458 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -83.03 124.93 30.9 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.308 -1.113 . . . . 4.21 109.302 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.69 148.97 6.43 Favored Pre-proline 0 N--CA 1.488 1.475 0 O-C-N 121.287 -0.883 . . . . 5.6799999999999997 109.066 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -52.06 146.18 31.02 Favored 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 121.077 1.185 . . . . 5.5700000000000003 110.085 179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.941 -1.477 . . . . 7.2000000000000002 109.552 179.954 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 61.5 mttm . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.337 0.589 . . . . 8.9600000000000009 109.521 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 56.18 105.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.295 -0.878 . . . . 8.1500000000000004 109.956 179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' C' ' 323' ' ' LEU . 26.6 mmtm 50.4 70.92 1.74 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 7.1500000000000004 109.678 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.34 11.93 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.617 1.545 . . . . 4.3499999999999996 110.072 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' C' ' 321' ' ' LYS . 18.0 mt -80.12 53.9 1.83 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 4.6299999999999999 109.304 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 0.8 OUTLIER -79.67 -135.36 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.625 -0.672 . . . . 2.8500000000000001 109.593 -179.88 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.97 152.72 52.68 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.502 -1.439 . . . . 1.1200000000000001 109.502 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -58.67 132.3 53.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.346 -1.091 . . . . 2.1099999999999999 109.536 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -92.92 157.62 16.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.64000000000000001 109.505 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.78 -169.78 2.7 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.435 -0.791 . . . . 0.48999999999999999 109.354 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -150.95 149.75 29.99 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.552 -0.907 . . . . 0.46999999999999997 108.552 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.22 133.27 24.28 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.41999999999999998 109.657 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.25 130.55 34.81 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.576 -0.898 . . . . 1.8100000000000001 108.576 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -122.8 116.93 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.501 -0.75 . . . . 0.41999999999999998 109.409 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -75.31 152.34 38.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.637 -0.665 . . . . 2.3500000000000001 109.949 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.42 134.25 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.289 -1.124 . . . . 0.40999999999999998 110.289 179.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -80.46 -43.74 20.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -1.02 . . . . 2.5899999999999999 109.114 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -58.72 -42.81 89.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.214 -0.929 . . . . 2.54 108.93 179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -63.34 -41.18 98.86 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.352 -0.843 . . . . 3.3900000000000001 109.094 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -55.74 -55.74 28.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.437 -0.79 . . . . 0.46999999999999997 109.747 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.54 -38.52 54.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.6599999999999999 109.784 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.24 -51.73 66.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.368 -0.833 . . . . 0.60999999999999999 109.992 -179.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -44.83 96.85 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.166 -0.959 . . . . 0.33000000000000002 109.091 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.51 -42.42 61.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 3.2799999999999998 109.442 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -60.33 -53.36 58.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.255 -0.903 . . . . 1.78 109.738 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.97 -38.21 81.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.197 -0.939 . . . . 0.38 108.917 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -58.92 -55.74 31.18 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.317 -0.864 . . . . 1.2 109.106 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.43 -31.72 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.36 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.59 -54.09 50.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.26000000000000001 109.882 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.05 -44.75 96.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.40000000000000002 109.232 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -58.63 -34.64 71.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.007 179.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -64.16 -50.41 68.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.45 -0.781 . . . . 0.75 108.936 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -60.43 -46.65 89.28 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.647 -0.872 . . . . 2.1899999999999999 108.647 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.57 -31.96 64.73 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.627 -0.671 . . . . 1.3400000000000001 109.212 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.11 83.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.396 -0.815 . . . . 0.71999999999999997 109.569 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.22 -5.14 57.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.91 . . . . 1.8 109.388 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -1.89 11.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.909 . . . . 1.3899999999999999 109.048 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.8 -79.07 0.54 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.404 -1.479 . . . . 1.6599999999999999 109.404 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -83.03 124.95 30.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.309 -1.112 . . . . 4.4500000000000002 109.303 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -50.75 149.08 6.43 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.301 -0.874 . . . . 6.1900000000000004 108.999 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -52.16 146.31 31.31 Favored 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.083 1.189 . . . . 5.5800000000000001 110.041 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.514 -1.434 . . . . 6.9000000000000004 109.514 179.986 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 61.4 mttm . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.379 0.609 . . . . 7.3600000000000003 109.599 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 56.23 105.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 7.1500000000000004 109.981 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' D' ' 323' ' ' LEU . 26.6 mmtm 50.44 71.0 1.69 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.315 -0.866 . . . . 6.5 109.641 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.42 11.89 0.16 Allowed 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 121.6 1.533 . . . . 4.5 109.986 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.8 mt -80.15 53.9 1.84 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.935 . . . . 4.3200000000000003 109.279 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 0.8 OUTLIER -79.74 -135.28 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.575 -0.703 . . . . 2.46 109.581 -179.854 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.97 152.57 52.6 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.422 -1.471 . . . . 0.96999999999999997 109.422 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -58.68 132.22 53.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.349 -1.089 . . . . 1.6699999999999999 109.53 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -92.78 157.55 16.36 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.315 -0.866 . . . . 0.60999999999999999 109.536 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.68 -169.6 2.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.383 -0.823 . . . . 0.56000000000000005 109.365 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.5 p -151.07 149.82 29.97 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.459 -0.941 . . . . 0.42999999999999999 108.459 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -143.36 133.3 24.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.334 -0.854 . . . . 0.34999999999999998 109.611 -178.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -84.3 130.67 34.79 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.634 -0.876 . . . . 1.3700000000000001 108.634 179.054 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.0 mt -122.94 116.92 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.47 -0.769 . . . . 0.47999999999999998 109.419 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -75.2 152.43 38.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.57 -0.706 . . . . 2.0800000000000001 109.969 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.24 134.46 1.31 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.297 -1.121 . . . . 0.40000000000000002 110.297 179.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -80.64 -43.56 20.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -1.008 . . . . 2.6400000000000001 109.094 179.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -58.75 -43.0 90.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.866 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -63.23 -41.2 99.06 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.427 -0.796 . . . . 2.7400000000000002 109.085 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -55.68 -55.65 29.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.436 -0.79 . . . . 0.42999999999999999 109.829 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -51.63 -38.46 54.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 1.6899999999999999 109.782 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.33 -51.62 66.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.307 -0.87 . . . . 0.42999999999999999 109.941 -179.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.06 -44.85 96.77 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 109.027 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.61 -42.42 61.97 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.32 -0.862 . . . . 2.4500000000000002 109.414 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.29 -53.38 58.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.349 -0.844 . . . . 1.75 109.693 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.98 -38.29 82.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.31 108.819 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.01 -55.63 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.392 -0.818 . . . . 1.22 109.095 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.38 -31.86 73.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.73 109.373 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.63 -53.89 53.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.345 -0.847 . . . . 0.28000000000000003 109.916 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.99 -44.91 96.72 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.216 -0.928 . . . . 0.31 109.247 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -58.52 -34.79 71.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.88 . . . . 1.9099999999999999 108.947 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -64.01 -50.59 67.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.472 -0.767 . . . . 0.42999999999999999 109.047 179.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -60.28 -46.74 88.77 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.6 -0.889 . . . . 1.5700000000000001 108.6 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.44 -32.07 64.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.595 -0.69 . . . . 1.4399999999999999 109.228 179.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.99 83.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.886 . . . . 0.64000000000000001 109.54 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.23 -5.18 57.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.21 109.372 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -1.93 11.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 1.22 109.097 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.91 -78.83 0.56 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.54 -1.424 . . . . 1.5 109.54 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -82.97 124.81 30.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.275 -1.133 . . . . 4.1799999999999997 109.349 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.64 149.06 6.27 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.303 -0.873 . . . . 5.6699999999999999 109.009 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -52.1 146.25 31.07 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.015 1.144 . . . . 5.6500000000000004 110.079 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 CA-C-O 117.948 -1.473 . . . . 7.2699999999999996 109.505 179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 321' ' ' LYS . 97.4 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.486 -0.561 . . . . 7.3300000000000001 109.486 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 322' ' ' PRO . 13.8 tptm 66.79 -10.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.49 -0.756 . . . . 7.21 110.354 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.51 ' H ' ' C ' ' A' ' 319' ' ' LYS . 19.1 mtpp 16.89 -79.74 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.53 0 CA-C-O 118.163 -0.922 . . . . 6.4699999999999998 112.472 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.505 ' N ' ' O ' ' A' ' 320' ' ' LYS . 5.9 Cg_exo -50.54 123.71 11.9 Favored 'Trans proline' 0 C--O 1.215 -0.662 0 CA-C-N 120.446 1.195 . . . . 4.5300000000000002 110.219 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.8 mt -81.07 139.76 35.5 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 4.3499999999999996 109.197 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.71 -146.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.95 . . . . 2.48 109.606 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 166.74 45.4 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.623 -1.391 . . . . 0.97999999999999998 109.623 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.4 134.36 56.56 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -1.112 . . . . 1.7 109.562 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.11 159.39 15.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 0.60999999999999999 109.732 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.39 -168.94 2.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.438 -0.789 . . . . 0.57999999999999996 109.402 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.73 146.96 26.14 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.138 -0.976 . . . . 0.41999999999999998 109.105 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -141.01 137.11 32.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.352 -0.842 . . . . 0.35999999999999999 109.894 -178.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.49 132.74 33.92 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.056 -0.72 . . . . 1.3700000000000001 109.056 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.5 mt -123.52 114.44 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.437 -0.789 . . . . 0.46999999999999997 108.982 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.18 146.64 43.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.524 -0.735 . . . . 2.1000000000000001 109.812 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.56 139.73 8.7 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.862 -1.295 . . . . 0.41999999999999998 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.64 -52.73 6.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.314 -1.109 . . . . 2.6800000000000002 109.477 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.04 -35.56 71.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.365 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -64.52 -40.88 96.44 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.366 -0.834 . . . . 2.77 109.369 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.93 -53.54 55.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.587 -0.695 . . . . 0.42999999999999999 109.922 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.87 62.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 109.997 -179.581 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.32 -52.28 64.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.266 -0.897 . . . . 0.44 109.992 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.52 -43.8 98.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.095 -1.003 . . . . 0.28999999999999998 108.812 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.2 OUTLIER -51.73 -40.9 61.03 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.408 -0.807 . . . . 2.4399999999999999 109.289 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.42 -52.94 63.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 1.74 109.695 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.11 -38.45 83.02 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.128 -0.983 . . . . 0.29999999999999999 108.529 179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.3 -55.18 38.34 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.441 -0.787 . . . . 1.22 109.188 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.13 -32.21 73.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 1.72 109.348 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.66 -51.66 68.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.27000000000000002 109.611 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.426 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.3 mt -61.57 -43.55 98.66 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 0.28999999999999998 109.493 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.41 -36.02 77.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.391 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.45 -51.96 60.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.40999999999999998 109.2 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.466 ' HZ3' ' HB2' ' B' ' 347' ' ' ALA . 3.1 ttmp? -61.74 -44.69 96.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 1.5600000000000001 109.08 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -57.99 -34.52 70.07 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.619 -0.675 . . . . 1.4299999999999999 109.574 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.48 74.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.66000000000000003 109.983 -179.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.1 -8.33 59.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.219 -0.926 . . . . 1.1799999999999999 109.735 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.34 -15.27 61.88 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.165 -0.959 . . . . 1.23 109.318 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 24.24 7.68 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.533 -1.427 . . . . 1.54 109.533 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.4 124.61 32.19 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.225 -1.162 . . . . 4.1799999999999997 109.648 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.33 3.41 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 5.71 109.115 -179.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.31 3.97 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 121.004 1.136 . . . . 5.6100000000000003 110.203 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.581 -1.408 . . . . 7.2400000000000002 109.581 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' B' ' 321' ' ' LYS . 97.3 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.446 -0.575 . . . . 7.3399999999999999 109.446 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' B' ' 322' ' ' PRO . 13.8 tptm 66.78 -10.71 0.28 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.521 -0.737 . . . . 7.1699999999999999 110.252 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' B' ' 319' ' ' LYS . 19.1 mtpp 16.93 -79.76 0.0 OUTLIER Pre-proline 0 N--CA 1.51 2.537 0 CA-C-O 118.139 -0.934 . . . . 6.4400000000000004 112.458 -179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' B' ' 320' ' ' LYS . 6.0 Cg_exo -50.58 123.75 12.01 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 CA-C-N 120.361 1.165 . . . . 4.54 110.238 179.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.11 139.72 35.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 4.3200000000000003 109.167 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.69 -146.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 2.4700000000000002 109.602 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 166.86 45.33 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.652 -1.379 . . . . 0.94999999999999996 109.652 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.49 134.33 56.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.248 -1.148 . . . . 1.6100000000000001 109.543 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -94.06 159.48 15.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.271 -0.893 . . . . 0.56999999999999995 109.785 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.43 -168.94 2.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.403 -0.811 . . . . 0.53000000000000003 109.361 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.4 p -151.7 147.05 26.24 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.38 109.059 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -141.14 137.07 32.48 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.38 -0.825 . . . . 0.35999999999999999 109.858 -178.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -87.58 132.81 33.93 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.974 -0.75 . . . . 1.3600000000000001 108.974 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.53 114.4 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.455 -0.778 . . . . 0.48999999999999999 108.991 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.14 146.72 43.27 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.592 -0.693 . . . . 2.1000000000000001 109.893 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.58 139.69 8.68 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.883 -1.287 . . . . 0.44 109.883 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -82.67 -52.71 6.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -1.076 . . . . 2.7200000000000002 109.461 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.17 -35.46 71.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 2.21 109.349 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.404 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.5 tpp180 -64.64 -40.78 96.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.321 -0.862 . . . . 2.79 109.365 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -55.92 -53.6 54.82 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.606 -0.684 . . . . 0.45000000000000001 109.899 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.54 -36.75 62.15 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.328 -0.857 . . . . 1.6799999999999999 110.002 -179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -52.23 64.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.199 -0.938 . . . . 0.42999999999999999 109.947 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.79 98.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.28000000000000003 108.799 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.597 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.87 60.91 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.376 -0.828 . . . . 2.52 109.373 179.666 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -52.97 62.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.3 -0.875 . . . . 1.75 109.683 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -59.98 -38.57 82.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.132 -0.98 . . . . 0.31 108.572 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.19 -55.21 37.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.536 -0.727 . . . . 1.21 109.221 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.19 -32.12 73.43 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.314 -0.866 . . . . 1.6899999999999999 109.283 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.69 -51.66 68.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.363 -0.836 . . . . 0.27000000000000002 109.547 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.433 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.55 -43.68 98.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.361 -0.837 . . . . 0.29999999999999999 109.466 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.27 -36.04 76.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.416 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.523 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.5 -51.91 60.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.40000000000000002 109.228 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.73 -44.71 96.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 1.5900000000000001 109.084 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.96 -34.54 70.03 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.549 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.38 74.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.192 -0.942 . . . . 0.65000000000000002 109.927 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.17 -8.39 59.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.07 -1.019 . . . . 1.1899999999999999 109.708 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -15.24 61.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.114 -0.991 . . . . 1.22 109.283 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 24.32 7.78 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.48 -1.448 . . . . 1.53 109.48 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -85.35 124.59 32.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -1.187 . . . . 4.21 109.701 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.27 3.45 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 5.6799999999999997 109.123 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.26 3.98 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 121.046 1.164 . . . . 5.5700000000000003 110.21 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 117.946 -1.475 . . . . 7.2000000000000002 109.5 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' C' ' 321' ' ' LYS . 97.4 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.544 -0.539 . . . . 8.9600000000000009 109.544 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' C' ' 322' ' ' PRO . 13.9 tptm 66.82 -10.74 0.28 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.533 -0.73 . . . . 8.1500000000000004 110.273 179.628 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' C' ' 320' ' ' LYS . 19.1 mtpp 16.96 -79.82 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.491 0 CA-C-O 118.211 -0.9 . . . . 7.1500000000000004 112.428 -179.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.503 ' N ' ' O ' ' C' ' 320' ' ' LYS . 6.0 Cg_exo -50.55 123.76 12.0 Favored 'Trans proline' 0 N--CA 1.48 0.73 0 CA-C-N 120.354 1.162 . . . . 4.3499999999999996 110.167 179.509 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -81.18 139.75 35.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 4.6299999999999999 109.169 179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.76 -146.59 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.136 -0.978 . . . . 2.8500000000000001 109.591 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 166.9 45.17 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.647 -1.381 . . . . 1.1200000000000001 109.647 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -58.56 134.31 56.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -1.127 . . . . 2.1099999999999999 109.552 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -93.99 159.43 15.17 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.278 -0.889 . . . . 0.64000000000000001 109.737 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.43 -168.98 2.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.354 -0.841 . . . . 0.48999999999999999 109.354 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.65 147.04 26.26 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.251 -0.905 . . . . 0.46999999999999997 109.069 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.18 137.07 32.4 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.401 -0.812 . . . . 0.41999999999999998 109.855 -178.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.53 132.72 33.94 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.031 -0.729 . . . . 1.8100000000000001 109.031 179.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 114.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.523 -0.736 . . . . 0.41999999999999998 109.049 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.11 146.7 43.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.551 -0.718 . . . . 2.3500000000000001 109.885 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 139.69 8.64 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.931 -1.268 . . . . 0.40999999999999998 109.931 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -82.66 -52.71 6.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.327 -1.102 . . . . 2.5899999999999999 109.512 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.07 -35.55 71.53 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.54 109.416 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.426 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.5 tpp180 -64.54 -40.81 96.28 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.301 -0.874 . . . . 3.3900000000000001 109.385 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.96 -53.59 55.08 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.506 -0.746 . . . . 0.46999999999999997 109.864 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.5 -36.79 62.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.364 -0.835 . . . . 1.6599999999999999 110.01 -179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.47 -52.16 64.62 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.209 -0.932 . . . . 0.60999999999999999 109.956 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.58 -43.86 98.09 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.181 -0.949 . . . . 0.33000000000000002 108.825 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.603 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.6 -40.96 60.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.347 -0.846 . . . . 3.2799999999999998 109.382 179.598 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.35 -52.95 63.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 1.78 109.702 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -60.18 -38.44 83.26 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.173 -0.954 . . . . 0.38 108.502 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.08 -55.35 36.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.521 -0.737 . . . . 1.2 109.257 179.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.05 -32.19 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.346 -0.846 . . . . 2.1200000000000001 109.347 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.73 -51.69 68.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.356 -0.84 . . . . 0.26000000000000001 109.515 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.0 mt -61.49 -43.72 98.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.384 -0.822 . . . . 0.40000000000000002 109.432 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.33 -35.98 76.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.297 -0.877 . . . . 2.0899999999999999 109.383 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.47 -52.03 60.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.373 -0.829 . . . . 0.75 109.207 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -61.66 -44.7 96.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.343 -0.848 . . . . 2.1899999999999999 109.11 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -58.03 -34.47 70.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.596 -0.69 . . . . 1.3400000000000001 109.554 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.37 74.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.71999999999999997 109.984 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.13 -8.47 59.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.096 -1.002 . . . . 1.8 109.667 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -15.31 61.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.149 -0.969 . . . . 1.3899999999999999 109.266 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 24.3 7.63 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.498 -1.441 . . . . 1.6599999999999999 109.498 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -85.39 124.62 32.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.2 -1.176 . . . . 4.4500000000000002 109.676 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' C' ' 360' ' ' GLY . 3.7 pt-20 -51.18 153.34 3.41 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.298 -0.876 . . . . 6.1900000000000004 109.133 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.27 3.92 0.22 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 121.065 1.177 . . . . 5.5800000000000001 110.223 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.963 -1.465 . . . . 6.9000000000000004 109.501 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.501 ' C ' ' H ' ' D' ' 321' ' ' LYS . 97.3 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.453 -0.573 . . . . 7.3600000000000003 109.453 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' D' ' 322' ' ' PRO . 13.9 tptm 66.76 -10.69 0.28 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.481 -0.762 . . . . 7.1500000000000004 110.367 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' D' ' 319' ' ' LYS . 19.1 mtpp 16.9 -79.73 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.491 0 CA-C-O 118.259 -0.877 . . . . 6.5 112.553 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.508 ' N ' ' O ' ' D' ' 320' ' ' LYS . 5.9 Cg_exo -50.56 123.74 11.98 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 CA-C-N 120.35 1.161 . . . . 4.5 110.269 179.384 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.19 139.76 35.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.357 -0.839 . . . . 4.3200000000000003 109.183 179.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.72 -146.58 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 2.46 109.572 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 166.88 45.43 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.637 -1.385 . . . . 0.96999999999999997 109.637 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -58.53 134.33 56.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.299 -1.118 . . . . 1.6699999999999999 109.447 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -94.03 159.38 15.19 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.60999999999999999 109.738 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.35 -168.97 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.458 -0.776 . . . . 0.56000000000000005 109.441 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.71 147.02 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.134 -0.979 . . . . 0.42999999999999999 108.997 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.2 tp -141.1 137.05 32.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.356 -0.84 . . . . 0.34999999999999998 109.833 -178.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -87.51 132.74 33.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.492 -0.755 . . . . 1.3700000000000001 109.073 179.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.5 114.33 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.43 -0.794 . . . . 0.47999999999999998 109.025 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -74.21 146.81 43.06 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.576 -0.702 . . . . 2.0800000000000001 109.831 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.54 139.72 8.68 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.914 -1.274 . . . . 0.40000000000000002 109.914 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -82.72 -52.68 6.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.382 -1.069 . . . . 2.6400000000000001 109.396 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.21 -35.43 71.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.38 -0.825 . . . . 2.2200000000000002 109.356 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.433 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.5 tpp180 -64.66 -40.77 96.02 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.354 -0.841 . . . . 2.7400000000000002 109.345 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.95 -53.56 55.39 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.656 -0.653 . . . . 0.42999999999999999 109.912 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -53.5 -36.77 62.08 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.373 -0.829 . . . . 1.6899999999999999 110.018 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -62.46 -52.29 64.09 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.146 -0.971 . . . . 0.42999999999999999 109.868 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -43.77 98.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.13 -0.981 . . . . 0.27000000000000002 108.816 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.2 OUTLIER -51.7 -40.89 60.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.4 -0.812 . . . . 2.4500000000000002 109.362 179.667 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.39 -53.0 62.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.208 -0.932 . . . . 1.75 109.712 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.97 -38.56 82.88 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.14 -0.975 . . . . 0.31 108.598 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.21 -55.2 38.07 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.483 -0.761 . . . . 1.22 109.22 179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -63.04 -32.31 73.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.479 -0.763 . . . . 1.73 109.336 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.6 -51.69 68.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.28000000000000003 109.575 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.404 HD22 ' NH1' ' B' ' 337' ' ' ARG . 52.4 mt -61.44 -43.73 98.36 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.389 -0.819 . . . . 0.31 109.5 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.3 -35.95 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.491 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.49 -51.99 60.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.42999999999999999 109.197 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HZ3' ' HB2' ' C' ' 347' ' ' ALA . 3.1 ttmp? -61.72 -44.75 96.32 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.372 -0.83 . . . . 1.5700000000000001 109.077 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -57.94 -34.51 69.96 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.549 -0.719 . . . . 1.4399999999999999 109.615 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.44 74.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.64000000000000001 109.98 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -82.16 -8.39 59.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.061 -1.024 . . . . 1.21 109.681 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -15.3 61.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.063 -1.023 . . . . 1.22 109.318 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 24.4 7.54 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.557 -1.417 . . . . 1.5 109.557 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -85.44 124.61 32.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.133 -1.216 . . . . 4.1799999999999997 109.666 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' D' ' 360' ' ' GLY . 3.7 pt-20 -51.16 153.31 3.4 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.308 -0.87 . . . . 5.6699999999999999 109.128 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.26 3.99 0.21 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 121.09 1.193 . . . . 5.6500000000000004 110.181 179.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.501 -1.44 . . . . 7.2699999999999996 109.501 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.509 -0.552 . . . . 7.3300000000000001 109.509 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 321' ' ' LYS . 78.3 tttt 56.91 54.79 6.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 7.21 108.838 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 3.3 pttt 62.27 147.79 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.652 0 N-CA-C 108.656 -0.868 . . . . 6.4699999999999998 108.656 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.86 166.26 12.5 Favored 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 121.167 1.245 . . . . 4.5300000000000002 109.886 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.98 112.93 18.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.94 . . . . 4.3499999999999996 108.891 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -79.92 -122.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -0.934 . . . . 2.48 109.881 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 160.62 51.17 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.867 -1.293 . . . . 0.97999999999999998 109.867 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.83 134.94 57.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.371 -1.076 . . . . 1.7 109.567 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.38 15.7 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.27 -0.894 . . . . 0.60999999999999999 109.566 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -136.73 -169.37 2.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.831 . . . . 0.57999999999999996 109.59 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.0 146.21 26.07 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.53 -0.915 . . . . 0.41999999999999998 108.53 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.85 136.85 32.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.375 -0.828 . . . . 0.35999999999999999 109.696 -178.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.42 132.04 34.29 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.57 -0.9 . . . . 1.3700000000000001 108.57 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.3 mt -123.03 114.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.398 -0.814 . . . . 0.46999999999999997 109.418 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.97 143.13 43.78 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.51 -0.744 . . . . 2.1000000000000001 109.768 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 140.86 9.48 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 110.154 -1.178 . . . . 0.41999999999999998 110.154 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -85.17 -50.4 7.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -1.096 . . . . 2.6800000000000002 109.378 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.84 -39.29 71.21 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.191 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.476 -0.765 . . . . 2.77 109.571 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -58.05 9.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.548 -0.72 . . . . 0.42999999999999999 110.208 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 339' ' ' GLU . 4.3 mp0 -51.26 -36.55 42.62 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.033 -1.042 . . . . 1.6599999999999999 109.897 -179.637 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.04 58.38 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.185 -0.947 . . . . 0.44 110.163 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.0 -43.13 99.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.28999999999999998 108.905 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.76 -42.63 62.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.253 -0.904 . . . . 2.4399999999999999 109.4 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.49 -54.46 46.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.312 -0.868 . . . . 1.74 110.018 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.12 -38.17 82.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.215 -0.928 . . . . 0.29999999999999999 108.658 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.59 -53.7 55.06 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.52 -0.737 . . . . 1.22 109.546 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -63.05 -34.34 77.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.349 -0.845 . . . . 1.72 109.807 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.71 -50.55 73.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.27000000000000002 110.031 -179.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.14 99.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.28999999999999998 109.475 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.86 -35.7 73.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.013 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.7 tt -63.42 -48.07 79.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.415 -0.803 . . . . 0.40999999999999998 109.08 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 15.4 ttmm -60.64 -39.65 89.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.247 -0.908 . . . . 1.5600000000000001 108.672 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.08 -47.41 81.08 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.322 -0.621 . . . . 1.4299999999999999 109.322 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.96 68.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -0.779 . . . . 0.66000000000000003 109.424 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.507 ' NE2' HD11 ' B' ' 350' ' ' LEU . 6.0 tt0 -81.88 -5.05 57.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 1.1799999999999999 109.295 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -80.35 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.226 -0.921 . . . . 1.23 109.318 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.53 63.19 2.27 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.57 -1.412 . . . . 1.54 109.57 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -84.97 23.66 1.18 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.189 -1.183 . . . . 4.1799999999999997 109.397 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -50.03 153.09 2.47 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 5.71 108.902 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.0 148.2 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 120.988 1.125 . . . . 5.6100000000000003 109.791 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.992 -1.449 . . . . 7.2400000000000002 109.52 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.204 0.526 . . . . 7.3399999999999999 109.607 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 321' ' ' LYS . 78.2 tttt 56.75 54.79 6.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.204 -0.935 . . . . 7.1699999999999999 108.911 -179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 3.3 pttt 62.27 147.89 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.565 -0.902 . . . . 6.4400000000000004 108.565 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -61.9 166.25 12.6 Favored 'Trans proline' 0 N--CA 1.48 0.704 0 C-N-CA 121.114 1.209 . . . . 4.54 109.911 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.02 112.84 18.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 4.3200000000000003 108.943 179.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -79.85 -123.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.143 -0.973 . . . . 2.4700000000000002 109.84 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.12 160.62 50.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.952 -1.259 . . . . 0.94999999999999996 109.952 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.86 134.91 57.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.317 -1.107 . . . . 1.6100000000000001 109.528 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -93.63 158.46 15.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.209 -0.932 . . . . 0.56999999999999995 109.649 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.81 -169.44 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.439 -0.788 . . . . 0.53000000000000003 109.553 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -151.05 146.11 25.96 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.535 -0.913 . . . . 0.38 108.535 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -140.76 136.79 32.87 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.359 -0.838 . . . . 0.35999999999999999 109.745 -178.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -85.35 132.1 34.29 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.541 -0.911 . . . . 1.3600000000000001 108.541 179.137 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.08 114.17 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.453 -0.779 . . . . 0.48999999999999999 109.336 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.12 143.23 43.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.562 -0.711 . . . . 2.1000000000000001 109.77 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.89 9.45 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.165 -1.174 . . . . 0.44 110.165 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.579 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -85.04 -50.52 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.462 -1.022 . . . . 2.7200000000000002 109.52 179.794 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.8 -39.24 71.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.393 -0.817 . . . . 2.21 109.213 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.32 -40.53 96.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.434 -0.791 . . . . 2.79 109.63 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.52 -57.95 9.79 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.551 -0.718 . . . . 0.45000000000000001 110.229 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 339' ' ' GLU . 4.3 mp0 -51.31 -36.56 43.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.029 -1.044 . . . . 1.6799999999999999 109.902 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.1 ttp -63.44 -53.04 58.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.141 -0.974 . . . . 0.42999999999999999 110.201 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.96 -43.18 99.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.167 -0.958 . . . . 0.28000000000000003 108.93 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -51.69 -42.68 62.37 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.304 -0.872 . . . . 2.52 109.408 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.46 -54.44 46.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.75 110.028 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.1 -38.27 82.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.178 -0.951 . . . . 0.31 108.67 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.53 -53.68 55.28 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.444 -0.785 . . . . 1.21 109.528 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.412 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.23 77.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.381 -0.825 . . . . 1.6899999999999999 109.755 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.565 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -50.67 73.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.229 -0.919 . . . . 0.27000000000000002 109.952 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.4 -43.32 99.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.105 -0.997 . . . . 0.29999999999999999 109.458 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.75 -35.51 72.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.9299999999999999 109.083 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.7 tt -63.57 -48.02 79.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.527 -0.733 . . . . 0.40000000000000002 109.067 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.75 -39.57 89.21 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.259 -0.901 . . . . 1.5900000000000001 108.611 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' B' ' 352' ' ' ASP . 5.8 m-20 -57.04 -47.41 81.01 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.307 179.547 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.94 68.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.348 -0.845 . . . . 0.65000000000000002 109.356 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.486 ' NE2' HD11 ' A' ' 350' ' ' LEU . 6.0 tt0 -81.9 -4.95 57.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.249 -0.907 . . . . 1.1899999999999999 109.28 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.56 -80.34 0.05 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.22 109.243 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.57 63.28 2.28 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.53 -1.428 . . . . 1.53 109.53 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -85.01 23.67 1.19 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -1.131 . . . . 4.21 109.431 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -50.07 153.12 2.48 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.373 -0.829 . . . . 5.6799999999999997 108.864 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.02 148.14 59.93 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.946 1.097 . . . . 5.5700000000000003 109.818 179.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.952 -1.471 . . . . 7.2000000000000002 109.58 179.92 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.535 -0.543 . . . . 8.9600000000000009 109.535 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 321' ' ' LYS . 78.3 tttt 56.88 54.83 6.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.213 -0.93 . . . . 8.1500000000000004 108.828 -179.586 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 320' ' ' LYS . 3.3 pttt 62.16 147.84 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.675 0 N-CA-C 108.645 -0.872 . . . . 7.1500000000000004 108.645 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.9 166.2 12.7 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 121.208 1.272 . . . . 4.3499999999999996 109.925 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.94 112.85 18.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 4.6299999999999999 108.891 179.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -79.91 -122.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 2.8500000000000001 109.927 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.32 160.62 50.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.875 -1.29 . . . . 1.1200000000000001 109.875 -179.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.87 134.99 57.39 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.406 -1.055 . . . . 2.1099999999999999 109.566 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -93.73 158.38 15.7 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.226 -0.921 . . . . 0.64000000000000001 109.596 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.78 -169.4 2.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.382 -0.824 . . . . 0.48999999999999999 109.503 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.06 146.17 26.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.489 -0.93 . . . . 0.46999999999999997 108.489 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.2 tp -140.75 136.8 32.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 0.41999999999999998 109.751 -178.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.38 132.08 34.29 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.546 -0.909 . . . . 1.8100000000000001 108.546 179.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.06 114.09 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.409 -0.807 . . . . 0.41999999999999998 109.37 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -75.03 143.22 43.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.567 -0.708 . . . . 2.3500000000000001 109.758 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.68 140.84 9.43 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.171 -1.172 . . . . 0.40999999999999998 110.171 179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.4 OUTLIER -85.06 -50.47 7.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.415 -1.05 . . . . 2.5899999999999999 109.474 179.799 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.77 -39.31 71.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 2.54 109.223 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -64.24 -40.61 96.38 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.406 -0.809 . . . . 3.3900000000000001 109.558 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.46 -57.98 9.64 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.542 -0.724 . . . . 0.46999999999999997 110.257 -179.433 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' C' ' 339' ' ' GLU . 4.3 mp0 -51.35 -36.48 43.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.061 -1.024 . . . . 1.6599999999999999 109.846 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.45 -53.1 57.48 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.151 -0.968 . . . . 0.60999999999999999 110.157 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.98 -43.11 99.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.118 -0.989 . . . . 0.33000000000000002 108.884 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.77 -42.66 62.57 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 3.2799999999999998 109.303 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.54 -54.4 46.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.383 -0.823 . . . . 1.78 110.011 -179.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.12 -38.18 82.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.952 . . . . 0.38 108.701 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.75 54.43 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.468 -0.77 . . . . 1.2 109.477 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.424 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 65.2 tt0 -63.15 -34.14 76.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.415 -0.803 . . . . 2.1200000000000001 109.795 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -50.58 73.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.367 -0.833 . . . . 0.26000000000000001 109.958 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.49 -43.24 99.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.188 -0.945 . . . . 0.40000000000000002 109.459 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -35.61 73.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 2.0899999999999999 109.051 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -63.51 -48.07 79.09 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.75 109.047 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.67 -39.58 88.93 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.564 -0.902 . . . . 2.1899999999999999 108.564 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.11 -47.37 81.23 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.446 0.641 . . . . 1.3400000000000001 109.278 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -28.99 68.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.397 -0.815 . . . . 0.71999999999999997 109.393 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.46 ' NE2' HD11 ' D' ' 350' ' ' LEU . 6.0 tt0 -81.86 -4.97 57.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 1.8 109.347 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.51 -80.32 0.05 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.207 -0.933 . . . . 1.3899999999999999 109.297 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.5 63.23 2.25 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.539 -1.424 . . . . 1.6599999999999999 109.539 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -85.01 23.62 1.2 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.317 -1.108 . . . . 4.4500000000000002 109.433 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -49.92 153.05 2.38 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 6.1900000000000004 108.891 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.05 148.14 60.25 Favored 'Trans proline' 0 C--N 1.323 -0.77 0 C-N-CA 121.053 1.169 . . . . 5.5800000000000001 109.743 179.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.962 -1.466 . . . . 6.9000000000000004 109.556 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.254 0.549 . . . . 7.3600000000000003 109.531 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' D' ' 321' ' ' LYS . 78.2 tttt 56.89 54.7 6.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.149 -0.97 . . . . 7.1500000000000004 108.908 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' D' ' 320' ' ' LYS . 3.3 pttt 62.26 147.93 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.651 -0.87 . . . . 6.5 108.651 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -61.92 166.26 12.63 Favored 'Trans proline' 0 C--O 1.214 -0.69 0 C-N-CA 121.146 1.231 . . . . 4.5 109.969 179.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -81.02 112.85 18.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.893 . . . . 4.3200000000000003 108.965 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -79.9 -122.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 2.46 109.873 -179.525 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.37 160.56 51.12 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.859 -1.297 . . . . 0.96999999999999997 109.859 -179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -58.76 134.93 57.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.416 -1.049 . . . . 1.6699999999999999 109.536 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 158.36 15.71 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.276 -0.89 . . . . 0.60999999999999999 109.525 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -136.78 -169.47 2.48 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.373 -0.83 . . . . 0.56000000000000005 109.63 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -150.99 146.27 26.11 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.437 -0.949 . . . . 0.42999999999999999 108.437 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.0 tp -140.79 136.74 32.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.215 -0.928 . . . . 0.34999999999999998 109.796 -178.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -85.46 132.0 34.29 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.592 -0.892 . . . . 1.3700000000000001 108.592 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.0 114.14 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.49 -0.756 . . . . 0.47999999999999998 109.37 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -74.96 143.19 43.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.669 -0.645 . . . . 2.0800000000000001 109.779 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 140.89 9.47 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 110.118 -1.193 . . . . 0.40000000000000002 110.118 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -85.13 -50.6 7.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.394 -1.062 . . . . 2.6400000000000001 109.378 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -39.25 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.256 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -64.3 -40.58 96.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.463 -0.773 . . . . 2.7400000000000002 109.553 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.43 -58.07 9.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.562 -0.711 . . . . 0.42999999999999999 110.178 -179.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' D' ' 339' ' ' GLU . 4.4 mp0 -51.23 -36.59 42.47 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.98 -1.075 . . . . 1.6899999999999999 109.866 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.43 -53.13 57.17 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 110.19 -179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.94 -43.17 99.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.974 . . . . 0.27000000000000002 108.927 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -51.73 -42.6 62.42 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.333 -0.854 . . . . 2.4500000000000002 109.411 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.59 -54.38 47.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 1.75 109.964 -179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.08 -38.27 82.39 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.107 -0.996 . . . . 0.31 108.7 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.56 -53.72 54.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.48 -0.762 . . . . 1.22 109.583 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -63.06 -34.22 77.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 1.73 109.788 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.603 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.83 -50.57 73.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 0.28000000000000003 109.94 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.52 -43.15 99.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.186 -0.946 . . . . 0.31 109.443 -179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.93 -35.5 73.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.9099999999999999 108.96 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.539 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.7 tt -63.62 -47.94 79.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.441 -0.787 . . . . 0.42999999999999999 108.934 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.431 ' HG3' ' HZ3' ' D' ' 351' ' ' LYS . 15.4 ttmm -60.74 -39.69 89.62 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.224 -0.922 . . . . 1.5700000000000001 108.651 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' D' ' 352' ' ' ASP . 5.7 m-20 -57.02 -47.38 81.02 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.655 -0.653 . . . . 1.4399999999999999 109.315 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -28.93 68.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.408 -0.808 . . . . 0.64000000000000001 109.375 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' C' ' 350' ' ' LEU . 6.0 tt0 -81.93 -5.04 57.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 1.21 109.284 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -80.47 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.22 109.263 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.48 63.19 2.25 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.523 -1.431 . . . . 1.5 109.523 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -84.9 23.64 1.17 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -1.137 . . . . 4.1799999999999997 109.387 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -49.92 153.07 2.38 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.186 -0.946 . . . . 5.6699999999999999 108.91 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.08 148.2 60.2 Favored 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.009 1.139 . . . . 5.6500000000000004 109.763 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.941 -1.477 . . . . 7.2699999999999996 109.591 179.957 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.416 -0.587 . . . . 7.3300000000000001 109.416 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.55 174.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.43 -0.793 . . . . 7.21 109.786 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 60.0 mttm 52.58 64.67 7.04 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.422 -0.799 . . . . 6.4699999999999998 110.111 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.5 129.2 24.45 Favored 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.538 1.492 . . . . 4.5300000000000002 109.935 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.26 104.83 11.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.099 -1.001 . . . . 4.3499999999999996 109.451 179.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.66 108.37 15.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.907 . . . . 2.48 109.727 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.555 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -70.97 148.9 45.3 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.639 -1.384 . . . . 0.97999999999999998 109.639 179.78 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -60.84 123.05 16.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -1.114 . . . . 1.7 109.418 179.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 68.7 m-85 -95.98 152.07 18.85 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 0.60999999999999999 109.795 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.83 135.93 30.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 108.877 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.04 160.95 14.05 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.313 -0.867 . . . . 0.41999999999999998 109.549 -179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 36.6 tp -149.24 130.68 14.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.855 . . . . 0.35999999999999999 109.598 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.99 130.12 34.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.545 -0.909 . . . . 1.3700000000000001 108.545 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 56.9 mt -123.54 109.39 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.617 -0.677 . . . . 0.46999999999999997 109.429 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.525 HH21 ' H ' ' C' ' 325' ' ' GLY . 65.7 ttt180 -74.64 152.27 39.23 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.369 -0.832 . . . . 2.1000000000000001 109.342 179.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.4 130.16 5.79 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.943 -1.263 . . . . 0.41999999999999998 109.943 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.15 -55.67 5.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -1.037 . . . . 2.6800000000000002 109.627 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.37 -38.61 74.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.2200000000000002 109.611 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.9 98.13 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.259 -0.901 . . . . 2.77 109.688 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -53.93 -55.77 23.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.811 . . . . 0.42999999999999999 110.012 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -51.04 -38.4 51.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.936 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.3 -52.22 62.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.189 -0.944 . . . . 0.44 110.257 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.097 -1.002 . . . . 0.28999999999999998 109.321 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.0 -43.25 60.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.923 . . . . 2.4399999999999999 109.303 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.84 -45.64 93.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 1.74 109.573 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.75 -47.02 87.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.262 -0.899 . . . . 0.29999999999999999 109.314 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.81 -48.78 78.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 1.22 109.156 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.74 85.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.382 -0.824 . . . . 1.72 109.436 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.98 -52.75 64.43 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.27000000000000002 109.719 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.81 -44.22 97.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.253 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -58.06 -36.91 73.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 108.902 179.588 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.756 HD21 ' NE2' ' B' ' 354' ' ' GLN . 4.8 tp -63.7 -41.95 98.04 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.721 -0.844 . . . . 0.40999999999999998 108.721 179.689 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.43 -48.45 77.71 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.863 -0.791 . . . . 1.5600000000000001 108.863 179.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.51 -32.44 58.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.312 0.577 . . . . 1.4299999999999999 109.615 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.77 34.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -0.909 . . . . 0.66000000000000003 109.504 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.731 ' NE2' HD21 ' B' ' 350' ' ' LEU . 23.3 mt-30 -80.74 1.43 30.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.1799999999999999 109.653 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.45 -79.94 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 1.23 109.795 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.36 0.23 0.66 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 110.03 -1.228 . . . . 1.54 110.03 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 355' ' ' ALA . 16.6 tptp -86.29 145.11 27.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.1 -1.235 . . . . 4.1799999999999997 109.013 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -51.68 139.43 30.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.087 -1.008 . . . . 5.71 109.299 -179.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.88 137.2 74.89 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 120.931 1.087 . . . . 5.6100000000000003 109.875 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 118.068 -1.407 . . . . 7.2400000000000002 109.588 179.76 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.423 -0.584 . . . . 7.3399999999999999 109.423 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 54.55 174.13 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.326 -0.859 . . . . 7.1699999999999999 109.805 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 60.0 mttm 52.66 64.57 7.15 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.476 -0.765 . . . . 6.4400000000000004 110.121 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.42 129.19 24.53 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 121.503 1.469 . . . . 4.54 109.941 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -81.25 104.75 11.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.12 -0.987 . . . . 4.3200000000000003 109.453 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.53 108.88 16.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.293 -0.88 . . . . 2.4700000000000002 109.697 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.545 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -71.82 148.89 43.9 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.588 -1.405 . . . . 0.94999999999999996 109.588 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -60.61 122.98 16.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -1.109 . . . . 1.6100000000000001 109.503 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 68.5 m-85 -95.96 152.0 18.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.331 -0.856 . . . . 0.56999999999999995 109.847 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -141.79 135.8 30.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.315 -0.866 . . . . 0.53000000000000003 108.935 179.044 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -96.92 161.01 14.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.336 -0.852 . . . . 0.38 109.591 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 36.4 tp -149.12 130.65 14.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.328 -0.858 . . . . 0.35999999999999999 109.676 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -85.08 130.22 34.66 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.519 -0.919 . . . . 1.3600000000000001 108.519 179.159 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.52 109.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.591 -0.693 . . . . 0.48999999999999999 109.456 -179.222 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.474 HH21 ' H ' ' D' ' 325' ' ' GLY . 65.7 ttt180 -74.66 152.26 39.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 2.1000000000000001 109.266 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.39 130.04 5.75 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.93 -1.268 . . . . 0.44 109.93 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -77.08 -55.73 5.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.314 -1.109 . . . . 2.7200000000000002 109.619 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -57.41 -38.51 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.616 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.75 -41.86 98.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.372 -0.83 . . . . 2.79 109.716 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -53.99 -55.79 23.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.36 -0.838 . . . . 0.45000000000000001 110.021 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.86 -38.51 49.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.321 -0.862 . . . . 1.6799999999999999 109.952 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.28 -52.19 63.02 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.255 -0.903 . . . . 0.42999999999999999 110.272 -179.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.59 -44.87 95.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.076 -1.015 . . . . 0.28000000000000003 109.296 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.94 -43.24 60.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 2.52 109.305 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.93 -45.54 94.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 1.75 109.535 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.84 -46.94 87.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.31 109.312 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -57.76 -48.92 78.27 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.947 . . . . 1.21 109.156 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.54 -37.79 85.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.847 . . . . 1.6899999999999999 109.449 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.0 -52.75 64.44 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.393 -0.817 . . . . 0.27000000000000002 109.692 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.3 mt -61.77 -44.3 97.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.136 -0.977 . . . . 0.29999999999999999 109.197 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.03 -36.95 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.214 -0.929 . . . . 1.9299999999999999 108.905 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.731 HD21 ' NE2' ' A' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.40000000000000002 108.823 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.46 77.81 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.878 0.846 . . . . 1.5900000000000001 108.88 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -54.5 -32.49 58.05 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.743 -0.598 . . . . 1.4299999999999999 109.682 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -52.77 34.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.65000000000000002 109.585 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.756 ' NE2' HD21 ' A' ' 350' ' ' LEU . 23.2 mt-30 -80.66 1.32 30.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.374 -0.829 . . . . 1.1899999999999999 109.642 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.4 -80.02 0.06 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.214 -0.929 . . . . 1.22 109.739 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.42 0.35 0.65 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.007 -1.237 . . . . 1.53 110.007 -179.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' B' ' 355' ' ' ALA . 16.7 tptp -86.39 145.15 26.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.055 -1.262 . . . . 4.21 108.97 179.479 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -51.82 139.48 31.39 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.156 -0.965 . . . . 5.6799999999999997 109.26 -179.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.87 137.23 75.09 Favored 'Trans proline' 0 C--O 1.215 -0.628 0 C-N-CA 120.916 1.077 . . . . 5.5700000000000003 109.894 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 118.015 -1.436 . . . . 7.2000000000000002 109.561 179.744 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.429 -0.582 . . . . 8.9600000000000009 109.429 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.57 174.03 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.374 -0.828 . . . . 8.1500000000000004 109.733 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 60.2 mttm 52.76 64.52 7.16 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.437 -0.789 . . . . 7.1500000000000004 110.003 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.41 129.18 24.52 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.527 1.485 . . . . 4.3499999999999996 109.986 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.22 104.77 11.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.134 -0.979 . . . . 4.6299999999999999 109.416 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.6 108.64 16.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.372 -0.83 . . . . 2.8500000000000001 109.657 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.525 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -71.26 148.89 44.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.632 -1.387 . . . . 1.1200000000000001 109.632 179.766 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 123.0 16.24 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -1.164 . . . . 2.1099999999999999 109.462 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 69.4 m-85 -95.96 152.08 18.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.209 -0.932 . . . . 0.64000000000000001 109.789 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -141.84 135.88 30.01 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.382 -0.824 . . . . 0.48999999999999999 108.85 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.3 p -97.02 160.92 14.07 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.383 -0.823 . . . . 0.46999999999999997 109.577 -179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 36.7 tp -149.09 130.77 15.0 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.277 -0.889 . . . . 0.41999999999999998 109.654 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -85.04 130.06 34.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.8100000000000001 108.525 179.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -123.54 109.45 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 CA-C-O 121.442 0.639 . . . . 0.41999999999999998 109.394 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.555 HH21 ' H ' ' A' ' 325' ' ' GLY . 65.7 ttt180 -74.55 152.22 39.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 2.3500000000000001 109.267 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.46 130.14 5.8 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.837 -1.305 . . . . 0.40999999999999998 109.837 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.17 -55.69 5.22 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.329 -1.101 . . . . 2.5899999999999999 109.593 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.43 -38.55 74.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 2.54 109.584 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -61.62 -41.92 98.14 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.322 -0.861 . . . . 3.3900000000000001 109.661 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -54.02 -55.83 23.66 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.471 -0.768 . . . . 0.46999999999999997 109.949 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.91 -38.4 49.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 110.002 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.34 -52.2 62.78 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.237 -0.914 . . . . 0.60999999999999999 110.19 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.48 -45.0 95.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.33000000000000002 109.336 -179.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.92 -43.29 59.94 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.223 -0.923 . . . . 3.2799999999999998 109.285 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.86 -45.58 93.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 1.78 109.597 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.8 -46.98 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.938 . . . . 0.38 109.292 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.76 -48.87 78.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 1.2 109.15 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.61 -37.72 84.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 2.1200000000000001 109.423 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.99 -52.82 64.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.26000000000000001 109.701 -179.828 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.7 -44.2 97.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.208 -0.932 . . . . 0.40000000000000002 109.283 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.13 -36.9 73.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.196 -0.94 . . . . 2.0899999999999999 108.867 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.696 HD21 ' NE2' ' D' ' 354' ' ' GLN . 4.7 tp -63.63 -42.04 98.19 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.799 -0.815 . . . . 0.75 108.799 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.44 -48.39 77.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.836 0.827 . . . . 2.1899999999999999 108.828 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -54.52 -32.52 58.26 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.311 0.577 . . . . 1.3400000000000001 109.65 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -52.65 36.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.71999999999999997 109.573 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.749 ' NE2' HD21 ' D' ' 350' ' ' LEU . 23.2 mt-30 -80.84 1.44 30.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.367 -0.833 . . . . 1.8 109.589 -179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.46 -80.0 0.06 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.158 -0.964 . . . . 1.3899999999999999 109.734 -179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.37 0.34 0.64 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.032 -1.227 . . . . 1.6599999999999999 110.032 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' C' ' 355' ' ' ALA . 16.7 tptp -86.46 145.16 26.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -1.233 . . . . 4.4500000000000002 108.955 179.535 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.72 139.45 30.41 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 6.1900000000000004 109.234 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.85 137.24 75.26 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 120.851 1.034 . . . . 5.5800000000000001 109.945 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.522 -1.431 . . . . 6.9000000000000004 109.522 179.732 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.358 0.599 . . . . 7.3600000000000003 109.468 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp 54.5 174.17 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.358 -0.839 . . . . 7.1500000000000004 109.741 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 60.1 mttm 52.62 64.65 7.05 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.416 -0.803 . . . . 6.5 110.034 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.46 129.16 24.37 Favored 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.543 1.495 . . . . 4.5 109.942 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.19 104.81 11.92 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.183 -0.948 . . . . 4.3200000000000003 109.436 179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.59 108.6 16.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.324 -0.86 . . . . 2.46 109.666 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -71.32 148.88 44.71 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.66 -1.376 . . . . 0.96999999999999997 109.66 179.758 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.69 123.07 16.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -1.142 . . . . 1.6699999999999999 109.478 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.493 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 69.1 m-85 -96.06 152.14 18.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.257 -0.902 . . . . 0.60999999999999999 109.751 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -141.89 135.86 29.9 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -0.805 . . . . 0.56000000000000005 108.896 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.0 p -96.99 161.09 13.99 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.552 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 36.5 tp -149.25 130.65 14.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.34999999999999998 109.68 -179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -84.97 130.11 34.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.554 -0.906 . . . . 1.3700000000000001 108.554 179.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.0 mt -123.54 109.34 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 CA-C-O 121.451 0.643 . . . . 0.47999999999999998 109.478 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.545 HH21 ' H ' ' B' ' 325' ' ' GLY . 65.6 ttt180 -74.57 152.29 39.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.396 -0.815 . . . . 2.0800000000000001 109.351 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.41 130.06 5.76 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.913 -1.275 . . . . 0.40000000000000002 109.913 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -77.03 -55.77 5.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.312 -1.11 . . . . 2.6400000000000001 109.62 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.34 -38.54 74.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 2.2200000000000002 109.631 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.74 -41.77 98.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.376 -0.827 . . . . 2.7400000000000002 109.716 -179.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -54.04 -55.77 24.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.775 . . . . 0.42999999999999999 109.997 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.97 -38.4 50.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.952 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.41 -52.21 62.54 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.225 -0.922 . . . . 0.42999999999999999 110.165 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.51 -44.92 95.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.965 . . . . 0.27000000000000002 109.346 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -50.97 -43.16 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.236 -0.915 . . . . 2.4500000000000002 109.378 179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.88 -45.64 93.75 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.75 109.53 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.75 -46.97 87.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.31 109.367 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -57.82 -48.8 78.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.12 -0.987 . . . . 1.22 109.185 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -61.62 -37.75 85.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 1.73 109.39 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.632 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.97 -52.84 64.03 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.28000000000000003 109.678 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.8 -44.09 97.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.31 109.263 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -58.25 -36.88 73.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 1.9099999999999999 108.852 179.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.749 HD21 ' NE2' ' C' ' 354' ' ' GLN . 4.7 tp -63.67 -41.96 98.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.377 -0.827 . . . . 0.42999999999999999 108.809 179.637 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.37 -48.43 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.876 0.846 . . . . 1.5700000000000001 108.869 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -54.53 -32.59 58.47 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.768 -0.582 . . . . 1.4399999999999999 109.521 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.59 36.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.331 -0.856 . . . . 0.64000000000000001 109.572 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.696 ' NE2' HD21 ' C' ' 350' ' ' LEU . 23.2 mt-30 -80.83 1.44 30.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.374 -0.829 . . . . 1.21 109.647 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.4 -80.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.22 109.722 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -59.37 0.35 0.64 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 110.012 -1.235 . . . . 1.5 110.012 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' D' ' 355' ' ' ALA . 16.6 tptp -86.41 145.11 26.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.12 -1.223 . . . . 4.1799999999999997 108.932 179.548 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -51.77 139.48 30.89 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.086 -1.009 . . . . 5.6699999999999999 109.278 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.83 137.24 75.31 Favored 'Trans proline' 0 C--O 1.214 -0.693 0 C-N-CA 120.902 1.068 . . . . 5.6500000000000004 109.887 179.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.991 -1.45 . . . . 7.2699999999999996 109.556 179.694 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.38 -0.6 . . . . 7.3300000000000001 109.38 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 30.7 tttm 60.32 112.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.253 -0.904 . . . . 7.21 109.56 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.86 61.97 11.53 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.397 -0.815 . . . . 6.4699999999999998 110.228 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.52 0.23 Allowed 'Trans proline' 0 C--N 1.321 -0.921 0 C-N-CA 121.432 1.421 . . . . 4.5300000000000002 109.905 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.57 25.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.091 -1.006 . . . . 4.3499999999999996 109.254 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 322' ' ' PRO . 0.9 OUTLIER -80.5 -105.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.712 -0.618 . . . . 2.48 110.301 -179.594 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.04 150.37 48.85 Favored Glycine 0 N--CA 1.494 2.546 0 C-N-CA 120.278 -0.963 . . . . 0.97999999999999998 110.844 -178.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.29 160.95 9.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.618 -0.93 . . . . 1.7 109.41 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.484 -0.76 . . . . 0.60999999999999999 109.697 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.82 -170.75 2.76 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.404 -0.81 . . . . 0.57999999999999996 109.135 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.76 149.38 28.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.249 -0.907 . . . . 0.41999999999999998 108.558 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 53.5 tp -142.6 131.99 23.58 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.282 -0.886 . . . . 0.35999999999999999 109.911 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.13 128.13 34.53 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.719 -0.845 . . . . 1.3700000000000001 108.719 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.06 117.48 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.469 -0.769 . . . . 0.46999999999999997 109.658 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.65 149.71 36.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.501 -0.749 . . . . 2.1000000000000001 109.769 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.22 138.42 6.13 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.538 -1.025 . . . . 0.41999999999999998 110.538 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 335' ' ' ARG . 7.7 ttm-85 -83.62 -51.37 7.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.435 -1.038 . . . . 2.6800000000000002 109.171 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -58.24 -38.95 77.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.413 -0.805 . . . . 2.2200000000000002 109.151 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -63.93 -45.96 86.86 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.562 -0.903 . . . . 2.77 108.562 179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.87 -50.41 70.71 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.396 0.617 . . . . 0.42999999999999999 109.562 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.85 -38.22 61.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.889 -179.703 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.18 -50.08 73.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.249 -0.907 . . . . 0.44 110.087 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.211 -0.93 . . . . 0.28999999999999998 109.189 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -52.19 -43.42 64.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 2.4399999999999999 109.431 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.05 -53.53 56.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.25 -0.906 . . . . 1.74 109.764 -179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.22 -37.12 79.34 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.138 -0.976 . . . . 0.29999999999999999 108.817 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.17 -55.9 29.09 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.337 -0.852 . . . . 1.22 109.189 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.03 -31.51 72.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.349 -0.845 . . . . 1.72 109.717 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -54.81 42.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.27000000000000002 109.942 -179.515 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.99 -44.13 97.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.28999999999999998 109.429 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.08 -37.18 76.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 1.9099999999999999 109.538 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -48.9 75.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.907 . . . . 0.40999999999999998 109.443 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -62.58 -45.41 93.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.329 -0.857 . . . . 1.5600000000000001 109.028 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.44 -28.8 60.53 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.385 -0.822 . . . . 1.4299999999999999 109.216 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.8 80.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.66000000000000003 110.116 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -82.9 -25.73 32.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.097 -1.002 . . . . 1.1799999999999999 109.755 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.88 -3.51 26.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.201 -0.937 . . . . 1.23 109.471 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.82 -79.02 0.86 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.817 -1.313 . . . . 1.54 109.817 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -86.05 99.64 11.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.234 -1.156 . . . . 4.1799999999999997 109.669 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.644 ' H ' ' CD ' ' A' ' 358' ' ' GLU . 2.1 pm0 -50.53 152.33 3.37 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.254 -0.904 . . . . 5.71 108.903 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.66 123.25 13.22 Favored 'Trans proline' 0 C--N 1.322 -0.843 0 C-N-CA 121.027 1.151 . . . . 5.6100000000000003 109.967 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.934 -1.481 . . . . 7.2400000000000002 109.593 179.867 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.375 -0.602 . . . . 7.3399999999999999 109.375 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 30.6 tttm 60.35 112.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 7.1699999999999999 109.639 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.86 61.92 11.63 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.377 -0.827 . . . . 6.4400000000000004 110.251 -179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.51 0.23 Allowed 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.413 1.409 . . . . 4.54 109.916 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.59 25.72 0.32 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 4.3200000000000003 109.209 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' B' ' 322' ' ' PRO . 0.9 OUTLIER -80.44 -105.07 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.683 -0.636 . . . . 2.4700000000000002 110.272 -179.535 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.57 150.49 48.29 Favored Glycine 0 N--CA 1.493 2.497 0 C-N-CA 120.237 -0.982 . . . . 0.94999999999999996 110.785 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.32 160.99 9.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.949 . . . . 1.6100000000000001 109.442 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.96 149.5 23.84 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.392 -0.817 . . . . 0.56999999999999995 109.651 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.85 -170.76 2.77 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.485 -0.76 . . . . 0.53000000000000003 109.18 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -151.81 149.19 28.73 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.589 -0.893 . . . . 0.38 108.589 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 53.1 tp -142.38 132.11 24.1 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.237 -0.914 . . . . 0.35999999999999999 109.927 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.14 128.02 34.49 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.703 -0.851 . . . . 1.3600000000000001 108.703 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.97 117.41 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.494 -0.754 . . . . 0.48999999999999999 109.687 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.49 149.72 36.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.847 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.15 138.36 6.07 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.533 -1.027 . . . . 0.44 110.533 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 335' ' ' ARG . 7.7 ttm-85 -83.52 -51.44 7.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.483 -1.01 . . . . 2.7200000000000002 109.096 179.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.17 -38.94 77.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.325 -0.859 . . . . 2.21 109.236 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.0 -45.87 87.03 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.488 -0.93 . . . . 2.79 108.488 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.89 -50.52 70.43 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.581 -0.699 . . . . 0.45000000000000001 109.511 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.76 -38.2 60.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.6799999999999999 109.971 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -62.3 -49.92 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.155 -0.966 . . . . 0.42999999999999999 110.088 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.15 -41.42 96.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.208 -0.932 . . . . 0.28000000000000003 109.238 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.17 -43.42 64.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.204 -0.935 . . . . 2.52 109.49 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.01 -53.54 56.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 1.75 109.83 -179.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.25 -37.05 79.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 0.31 108.782 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.21 -55.81 30.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.419 -0.801 . . . . 1.21 109.203 179.437 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.04 -31.72 73.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.755 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.638 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.85 -54.96 41.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 0.27000000000000002 109.974 -179.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.2 mt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.922 . . . . 0.29999999999999999 109.37 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.04 -37.15 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 1.9299999999999999 109.543 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.44 -48.95 75.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.816 . . . . 0.40000000000000002 109.488 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.32 93.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.349 -0.844 . . . . 1.5900000000000001 109.076 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.87 60.54 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.512 -0.743 . . . . 1.4299999999999999 109.211 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.77 80.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.416 -0.803 . . . . 0.65000000000000002 110.046 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -82.91 -25.73 32.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.087 -1.008 . . . . 1.1899999999999999 109.713 -179.683 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.85 -3.46 25.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.179 -0.951 . . . . 1.22 109.516 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.86 -78.97 0.87 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.831 -1.308 . . . . 1.53 109.831 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.06 99.65 11.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.196 -1.179 . . . . 4.21 109.606 -179.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.651 ' CD ' ' H ' ' B' ' 358' ' ' GLU . 2.1 pm0 -50.56 152.36 3.39 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 5.6799999999999997 108.886 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.62 123.21 13.13 Favored 'Trans proline' 0 C--N 1.322 -0.831 0 C-N-CA 121.047 1.165 . . . . 5.5700000000000003 109.996 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.987 -1.451 . . . . 7.2000000000000002 109.595 179.868 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.41 -0.589 . . . . 8.9600000000000009 109.41 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 30.6 tttm 60.41 112.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.334 -0.854 . . . . 8.1500000000000004 109.591 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 51.91 61.92 11.58 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.444 -0.785 . . . . 7.1500000000000004 110.195 -179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.4 Cg_endo -63.1 99.44 0.23 Allowed 'Trans proline' 0 C--N 1.32 -0.95 0 C-N-CA 121.447 1.431 . . . . 4.3499999999999996 109.944 179.576 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.57 25.7 0.32 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.986 . . . . 4.6299999999999999 109.224 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' C' ' 322' ' ' PRO . 0.9 OUTLIER -80.5 -105.2 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.663 -0.648 . . . . 2.8500000000000001 110.303 -179.586 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 150.33 48.42 Favored Glycine 0 N--CA 1.494 2.502 0 C-N-CA 120.275 -0.965 . . . . 1.1200000000000001 110.846 -178.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.25 161.04 9.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.584 -0.951 . . . . 2.1099999999999999 109.423 179.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -100.93 149.51 23.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.45 -0.781 . . . . 0.64000000000000001 109.668 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -136.87 -170.82 2.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.443 -0.786 . . . . 0.48999999999999999 109.119 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.72 149.16 28.75 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.649 -0.871 . . . . 0.46999999999999997 108.649 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 53.3 tp -142.4 132.14 24.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.296 -0.877 . . . . 0.41999999999999998 109.896 -178.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -85.19 128.13 34.55 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.707 -0.849 . . . . 1.8100000000000001 108.707 179.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -124.05 117.29 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.455 -0.778 . . . . 0.41999999999999998 109.727 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -76.46 149.61 36.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.574 -0.704 . . . . 2.3500000000000001 109.827 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.28 138.44 6.17 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 110.511 -1.036 . . . . 0.40999999999999998 110.511 178.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.469 HH11 ' HG3' ' C' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.47 7.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.475 -1.015 . . . . 2.5899999999999999 109.082 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -58.23 -38.8 77.56 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.348 -0.845 . . . . 2.54 109.238 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.08 -45.97 86.38 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.476 -0.935 . . . . 3.3900000000000001 108.476 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -55.89 -50.42 70.71 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.637 -0.665 . . . . 0.46999999999999997 109.529 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -52.78 -38.15 60.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 110.031 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttp -62.25 -50.05 73.28 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.11 -0.994 . . . . 0.60999999999999999 110.12 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -61.02 -41.48 96.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.176 -0.953 . . . . 0.33000000000000002 109.218 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.24 -43.36 64.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.107 -0.996 . . . . 3.2799999999999998 109.462 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.03 -53.55 56.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 1.78 109.796 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.21 -37.08 79.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.198 -0.939 . . . . 0.38 108.785 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -59.16 -55.86 29.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.381 -0.824 . . . . 1.2 109.18 179.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.15 -31.58 72.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 2.1200000000000001 109.702 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.94 -54.9 41.94 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.26000000000000001 109.985 -179.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.85 -44.3 97.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.226 -0.921 . . . . 0.40000000000000002 109.423 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.0 -37.23 76.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 2.0899999999999999 109.58 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.36 -48.98 75.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 0.75 109.483 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.54 -45.28 93.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 2.1899999999999999 109.105 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.47 -28.82 60.69 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.506 -0.747 . . . . 1.3400000000000001 109.232 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.76 80.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.71999999999999997 110.129 -179.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -82.84 -25.79 32.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.115 -0.991 . . . . 1.8 109.747 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.49 25.87 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 1.3899999999999999 109.522 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.83 -78.97 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.877 -1.289 . . . . 1.6599999999999999 109.877 -179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -86.09 99.6 11.6 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.211 -1.17 . . . . 4.4500000000000002 109.638 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' C' ' 358' ' ' GLU . 2.1 pm0 -50.47 152.45 3.25 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.831 . . . . 6.1900000000000004 108.909 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.78 123.24 13.25 Favored 'Trans proline' 0 C--N 1.322 -0.865 0 C-N-CA 121.075 1.183 . . . . 5.5800000000000001 109.94 179.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.946 -1.474 . . . . 6.9000000000000004 109.616 179.917 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.395 -0.595 . . . . 7.3600000000000003 109.395 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 30.7 tttm 60.38 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 7.1500000000000004 109.574 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt 51.83 62.02 11.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.398 -0.814 . . . . 6.5 110.223 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.4 Cg_endo -63.13 99.47 0.23 Allowed 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.512 1.475 . . . . 4.5 109.9 179.505 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.64 25.71 0.33 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.187 -0.945 . . . . 4.3200000000000003 109.204 179.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' D' ' 322' ' ' PRO . 0.9 OUTLIER -80.41 -105.29 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.708 -0.62 . . . . 2.46 110.268 -179.609 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.24 150.41 48.61 Favored Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.222 -0.989 . . . . 0.96999999999999997 110.91 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.33 161.05 9.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.636 -0.92 . . . . 1.6699999999999999 109.461 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' O ' ' D' ' 322' ' ' PRO . 21.9 m-85 -101.01 149.31 24.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.374 -0.829 . . . . 0.60999999999999999 109.701 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.6 -170.75 2.75 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.155 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.79 149.2 28.76 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 108.523 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.2 tp -142.37 132.24 24.29 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.348 -0.845 . . . . 0.34999999999999998 109.919 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -85.23 128.07 34.54 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.17 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -124.09 117.35 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.453 -0.78 . . . . 0.47999999999999998 109.678 -179.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -76.55 149.72 36.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.748 . . . . 2.0800000000000001 109.785 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.18 138.34 6.08 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.537 -1.025 . . . . 0.40000000000000002 110.537 179.059 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.48 HH11 ' HG3' ' D' ' 335' ' ' ARG . 7.7 ttm-85 -83.6 -51.39 7.34 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -1.024 . . . . 2.6400000000000001 109.125 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -58.23 -38.95 77.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.146 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -63.97 -45.95 86.81 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.48 -0.933 . . . . 2.7400000000000002 108.48 179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.84 -50.48 70.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.648 -0.658 . . . . 0.42999999999999999 109.537 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -52.81 -38.1 60.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.98 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -62.35 -49.96 73.51 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.225 -0.922 . . . . 0.42999999999999999 110.095 -179.339 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -60.96 -41.51 96.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.205 -0.934 . . . . 0.27000000000000002 109.27 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -52.27 -43.3 64.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 2.4500000000000002 109.438 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.09 -53.58 56.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 1.75 109.751 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.23 -37.0 79.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 0.31 108.868 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -59.2 -55.86 29.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.447 -0.783 . . . . 1.22 109.211 179.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.14 -31.47 72.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 1.73 109.697 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.02 -54.84 42.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.28000000000000003 109.982 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.97 -44.21 97.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.882 . . . . 0.31 109.427 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.08 -37.16 76.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.449 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.46 -48.87 75.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 109.42 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -62.61 -45.37 93.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.312 -0.868 . . . . 1.5700000000000001 109.066 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -28.77 60.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.501 -0.749 . . . . 1.4399999999999999 109.349 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.75 80.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.301 -0.875 . . . . 0.64000000000000001 110.108 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -82.96 -25.75 32.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.108 -0.995 . . . . 1.21 109.7 -179.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -3.47 25.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.108 -0.995 . . . . 1.22 109.489 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.87 -79.03 0.87 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.815 -1.314 . . . . 1.5 109.815 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.0 99.66 11.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.25 -1.147 . . . . 4.1799999999999997 109.711 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.646 ' H ' ' CD ' ' D' ' 358' ' ' GLU . 2.1 pm0 -50.53 152.43 3.32 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.213 -0.93 . . . . 5.6699999999999999 108.855 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -54.69 123.16 13.02 Favored 'Trans proline' 0 C--N 1.323 -0.794 0 C-N-CA 121.078 1.185 . . . . 5.6500000000000004 109.965 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.979 -1.456 . . . . 7.2699999999999996 109.582 179.896 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.516 -0.549 . . . . 7.3300000000000001 109.516 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 65.03 -75.54 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.416 -0.802 . . . . 7.21 109.682 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 319' ' ' LYS . 84.1 mttt -155.34 69.41 5.43 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.141 -0.974 . . . . 6.4699999999999998 109.514 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -71.41 86.79 0.8 Allowed 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.677 1.584 . . . . 4.5300000000000002 109.887 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.55 -19.03 31.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.952 -1.092 . . . . 4.3499999999999996 109.199 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 324' ' ' ASP . 0.9 OUTLIER -87.25 -17.48 32.47 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.498 -0.751 . . . . 2.48 109.791 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -71.76 98.43 0.77 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.012 -1.235 . . . . 0.97999999999999998 110.012 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.29 124.84 22.78 Favored 'General case' 0 C--N 1.291 -1.965 0 O-C-N 121.822 -0.811 . . . . 1.7 109.492 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 66.4 m-85 -98.64 146.18 26.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.173 -0.954 . . . . 0.60999999999999999 109.888 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -141.65 137.02 31.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.32 -0.862 . . . . 0.57999999999999996 109.02 179.188 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.4 p -95.96 163.44 13.14 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.303 -0.873 . . . . 0.41999999999999998 109.06 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 39.2 tp -150.65 133.79 16.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.35999999999999999 110.011 -179.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.08 127.99 34.46 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.615 -0.883 . . . . 1.3700000000000001 108.615 179.244 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.13 110.55 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.526 -0.734 . . . . 0.46999999999999997 109.72 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -74.68 151.72 39.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.574 -0.704 . . . . 2.1000000000000001 109.491 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.52 138.03 6.14 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.26 -1.136 . . . . 0.41999999999999998 110.26 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.24 -47.11 11.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.388 -1.066 . . . . 2.6800000000000002 109.378 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.59 -43.17 89.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 109.377 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.31 -41.27 96.73 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.344 -0.848 . . . . 2.77 109.567 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.71 -55.98 24.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.492 -0.755 . . . . 0.42999999999999999 109.686 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.98 -42.21 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 109.662 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 19.0 ttp -63.39 -52.11 63.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.326 -0.859 . . . . 0.44 110.278 -179.425 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.31 -48.22 82.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.28999999999999998 109.077 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.54 -43.67 62.42 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.227 -0.921 . . . . 2.4399999999999999 109.485 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.99 -43.95 94.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.89 . . . . 1.74 110.087 -179.639 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.31 -42.47 98.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.023 . . . . 0.29999999999999999 109.151 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.69 -54.21 49.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 1.22 109.567 179.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.496 ' HG2' ' HZ1' ' B' ' 351' ' ' LYS . 71.2 tt0 -63.6 -37.32 86.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.341 -0.85 . . . . 1.72 109.994 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.53 45.9 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 110.003 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.7 mt -61.56 -40.09 93.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.251 -0.906 . . . . 0.28999999999999998 109.394 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.11 -36.42 77.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.406 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.31 -47.75 80.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.40999999999999998 109.462 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.442 ' HZ1' ' HG2' ' B' ' 346' ' ' GLU . 17.3 ttmm -62.28 -46.65 87.86 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 1.5600000000000001 108.719 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.55 -38.07 71.39 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.557 -0.714 . . . . 1.4299999999999999 109.164 179.55 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -25.12 65.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.66000000000000003 109.613 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.04 -12.05 57.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 1.1799999999999999 109.478 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.31 -5.81 35.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 1.23 109.312 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.11 0.8 88.96 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.702 -1.359 . . . . 1.54 109.702 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.7 5.31 32.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.207 -1.173 . . . . 4.1799999999999997 109.315 -179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.41 155.11 1.88 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 5.71 108.924 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -53.68 124.02 14.79 Favored 'Trans proline' 0 C--N 1.324 -0.743 0 C-N-CA 121.145 1.23 . . . . 5.6100000000000003 110.105 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.999 -1.445 . . . . 7.2400000000000002 109.579 179.778 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 321' ' ' LYS . 63.4 mttm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.443 -0.577 . . . . 7.3399999999999999 109.443 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 39.0 tttp 65.03 -75.55 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.463 -0.773 . . . . 7.1699999999999999 109.632 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 319' ' ' LYS . 84.1 mttt -155.26 69.29 5.47 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.143 -0.973 . . . . 6.4400000000000004 109.613 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.42 86.93 0.8 Allowed 'Trans proline' 0 C--N 1.317 -1.114 0 C-N-CA 121.632 1.555 . . . . 4.54 109.868 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.66 -19.08 31.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.954 -1.091 . . . . 4.3200000000000003 109.139 179.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 0.9 OUTLIER -87.28 -16.78 34.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.537 -0.727 . . . . 2.4700000000000002 109.866 -179.874 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -72.93 98.68 0.89 Allowed Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.907 -1.277 . . . . 0.94999999999999996 109.907 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.29 124.8 22.65 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.808 -0.819 . . . . 1.6100000000000001 109.451 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 65.8 m-85 -98.64 146.16 26.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.263 -0.898 . . . . 0.56999999999999995 109.938 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -141.65 136.75 31.24 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.311 -0.868 . . . . 0.53000000000000003 109.126 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.0 p -95.66 163.42 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.299 -0.875 . . . . 0.38 109.19 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -150.55 133.76 16.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.118 -0.989 . . . . 0.35999999999999999 109.972 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.08 128.04 34.48 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.625 -0.88 . . . . 1.3600000000000001 108.625 179.164 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -124.1 110.54 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.583 -0.698 . . . . 0.48999999999999999 109.737 -179.259 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.68 151.65 39.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.514 -0.741 . . . . 2.1000000000000001 109.512 179.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.64 138.01 6.2 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.311 -1.115 . . . . 0.44 110.311 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -83.38 -47.04 11.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.48 -1.012 . . . . 2.7200000000000002 109.356 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.49 -43.35 88.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 2.21 109.331 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -61.22 -41.42 96.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.302 -0.874 . . . . 2.79 109.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.52 -56.0 23.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.463 -0.773 . . . . 0.45000000000000001 109.789 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.95 -42.28 62.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 1.6799999999999999 109.686 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.34 -52.11 63.14 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.258 -0.901 . . . . 0.42999999999999999 110.249 -179.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.36 -48.18 82.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.172 -0.955 . . . . 0.28000000000000003 109.053 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.61 -43.57 62.57 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.265 -0.897 . . . . 2.52 109.5 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.09 -43.94 95.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 1.75 110.048 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.18 -42.59 98.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.071 -1.018 . . . . 0.31 109.077 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.64 -54.29 48.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 1.21 109.589 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.442 ' HG2' ' HZ1' ' A' ' 351' ' ' LYS . 71.0 tt0 -63.45 -37.49 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 1.6899999999999999 109.98 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.53 45.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.199 -0.938 . . . . 0.27000000000000002 110.028 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.54 -40.06 93.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.138 -0.976 . . . . 0.29999999999999999 109.35 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.2 -36.38 77.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.884 . . . . 1.9299999999999999 109.443 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 43.3 tp -63.35 -47.77 80.77 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.857 . . . . 0.40000000000000002 109.459 -179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.496 ' HZ1' ' HG2' ' A' ' 346' ' ' GLU . 17.3 ttmm -62.27 -46.51 88.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.5900000000000001 108.833 179.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.65 -38.03 71.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.769 . . . . 1.4299999999999999 109.136 179.495 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -25.17 65.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.242 -0.911 . . . . 0.65000000000000002 109.58 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.05 -12.12 57.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.1899999999999999 109.458 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.99 35.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 1.22 109.339 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.09 0.88 89.0 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.774 -1.331 . . . . 1.53 109.774 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -85.72 5.34 32.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.205 -1.173 . . . . 4.21 109.33 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.45 155.13 1.9 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 109.013 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -53.72 124.07 14.94 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 121.168 1.245 . . . . 5.5700000000000003 110.061 179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 117.987 -1.452 . . . . 7.2000000000000002 109.575 179.808 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' C' ' 321' ' ' LYS . 63.4 mttm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.475 -0.565 . . . . 8.9600000000000009 109.475 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 39.1 tttp 64.98 -75.53 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.406 -0.809 . . . . 8.1500000000000004 109.617 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' C' ' 319' ' ' LYS . 84.0 mttt -155.32 69.43 5.44 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.1 -1.0 . . . . 7.1500000000000004 109.527 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.66 87.67 0.8 Allowed 'Trans proline' 0 C--N 1.317 -1.127 0 C-N-CA 121.469 1.446 . . . . 4.3499999999999996 109.782 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -86.17 -18.99 30.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.024 -1.048 . . . . 4.6299999999999999 109.135 179.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 0.9 OUTLIER -87.43 -17.07 33.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 2.8500000000000001 109.771 -179.857 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -72.2 98.5 0.81 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.973 -1.251 . . . . 1.1200000000000001 109.973 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.41 124.87 22.91 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 121.871 -0.782 . . . . 2.1099999999999999 109.38 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 66.2 m-85 -98.68 146.16 26.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.198 -0.939 . . . . 0.64000000000000001 109.929 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -141.65 136.89 31.37 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.309 -0.869 . . . . 0.48999999999999999 109.04 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -95.82 163.4 13.18 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.274 -0.891 . . . . 0.46999999999999997 109.168 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.55 133.85 16.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.989 . . . . 0.41999999999999998 109.95 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.18 127.96 34.48 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -124.08 110.61 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.539 -0.726 . . . . 0.41999999999999998 109.718 -179.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.64 151.63 39.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.594 -0.691 . . . . 2.3500000000000001 109.503 179.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.55 137.86 6.09 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.295 -1.122 . . . . 0.40999999999999998 110.295 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.12 -47.09 12.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -1.107 . . . . 2.5899999999999999 109.47 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.57 -43.15 89.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.146 -0.972 . . . . 2.54 109.366 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -61.32 -41.26 96.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.392 -0.818 . . . . 3.3900000000000001 109.551 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.69 -55.96 24.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.46999999999999997 109.705 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.92 -42.28 62.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.693 -179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.37 -52.14 62.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.281 -0.887 . . . . 0.60999999999999999 110.256 -179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.35 -48.1 83.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.118 -0.989 . . . . 0.33000000000000002 109.102 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.63 -43.64 62.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.28 -0.888 . . . . 3.2799999999999998 109.449 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.97 -44.02 94.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 1.78 110.013 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.24 -42.51 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.014 . . . . 0.38 109.063 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -58.68 -54.23 49.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.298 -0.876 . . . . 1.2 109.578 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.459 ' HG2' ' HZ1' ' D' ' 351' ' ' LYS . 71.0 tt0 -63.54 -37.39 87.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 2.1200000000000001 110.05 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.52 46.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 0.26000000000000001 110.015 -179.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -40.05 93.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.188 -0.945 . . . . 0.40000000000000002 109.366 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.28 -36.35 77.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 2.0899999999999999 109.376 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.31 -47.77 80.88 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.848 . . . . 0.75 109.485 -179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.467 ' HZ1' ' HG2' ' D' ' 346' ' ' GLU . 17.4 ttmm -62.3 -46.49 88.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.896 . . . . 2.1899999999999999 108.812 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.63 -38.04 71.55 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.526 -0.734 . . . . 1.3400000000000001 109.192 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -25.13 65.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 0.71999999999999997 109.655 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -83.13 -11.97 57.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.8 109.464 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.37 -5.83 35.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 1.3899999999999999 109.256 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 0.86 88.9 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.732 -1.347 . . . . 1.6599999999999999 109.732 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.78 5.43 32.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.161 -1.199 . . . . 4.4500000000000002 109.303 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.52 155.1 1.94 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.159 -0.963 . . . . 6.1900000000000004 108.968 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -53.7 124.05 14.88 Favored 'Trans proline' 0 C--N 1.323 -0.774 0 C-N-CA 121.077 1.185 . . . . 5.5800000000000001 110.108 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.544 -1.422 . . . . 6.9000000000000004 109.544 179.8 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' D' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.531 -0.544 . . . . 7.3600000000000003 109.531 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 38.9 tttp 64.92 -75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.386 -0.821 . . . . 7.1500000000000004 109.691 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' D' ' 319' ' ' LYS . 84.1 mttt -155.26 69.37 5.47 Favored Pre-proline 0 N--CA 1.496 1.875 0 O-C-N 121.19 -0.944 . . . . 6.5 109.479 179.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -71.46 86.88 0.81 Allowed 'Trans proline' 0 C--N 1.316 -1.165 0 C-N-CA 121.659 1.573 . . . . 4.5 109.861 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.64 -18.96 31.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 4.3200000000000003 109.135 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 0.9 OUTLIER -87.37 -17.21 32.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.539 -0.725 . . . . 2.46 109.78 -179.863 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -72.18 98.54 0.82 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.014 -1.235 . . . . 0.96999999999999997 110.014 -179.755 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.33 124.86 22.83 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 121.863 -0.787 . . . . 1.6699999999999999 109.428 179.465 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 66.4 m-85 -98.62 146.22 26.05 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.098 -1.001 . . . . 0.60999999999999999 109.874 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -141.74 137.01 31.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.32 -0.862 . . . . 0.56000000000000005 108.994 179.142 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.2 p -95.89 163.48 13.13 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.256 -0.903 . . . . 0.42999999999999999 109.098 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.3 tp -150.65 133.77 16.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 0.34999999999999998 109.918 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -85.04 128.06 34.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 1.3700000000000001 108.619 179.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -124.13 110.53 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.573 -0.705 . . . . 0.47999999999999998 109.735 -179.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -74.65 151.63 39.28 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.553 -0.717 . . . . 2.0800000000000001 109.54 179.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.59 138.05 6.19 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.285 -1.126 . . . . 0.40000000000000002 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -83.31 -47.04 11.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.444 -1.033 . . . . 2.6400000000000001 109.409 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.58 -43.32 89.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 2.2200000000000002 109.32 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -61.2 -41.28 96.56 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.367 -0.833 . . . . 2.7400000000000002 109.559 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -54.61 -56.09 22.71 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.457 -0.777 . . . . 0.42999999999999999 109.721 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -51.79 -42.39 62.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 1.6899999999999999 109.66 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 19.0 ttp -63.33 -52.05 63.45 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.317 -0.864 . . . . 0.42999999999999999 110.308 -179.382 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.43 -48.07 83.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.091 -1.005 . . . . 0.27000000000000002 109.07 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.62 -43.64 62.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 2.4500000000000002 109.481 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.02 -43.99 94.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 1.75 110.019 -179.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.21 -42.58 98.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.089 -1.007 . . . . 0.31 109.095 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -58.55 -54.38 47.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.338 -0.851 . . . . 1.22 109.59 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.467 ' HG2' ' HZ1' ' C' ' 351' ' ' LYS . 71.1 tt0 -63.44 -37.34 86.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.317 -0.864 . . . . 1.73 110.085 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.64 44.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.955 . . . . 0.28000000000000003 110.041 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.45 -40.19 93.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -0.945 . . . . 0.31 109.369 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -60.18 -36.39 77.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.176 -0.952 . . . . 1.9099999999999999 109.324 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.27 -47.76 81.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 109.425 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.459 ' HZ1' ' HG2' ' C' ' 346' ' ' GLU . 17.4 ttmm -62.35 -46.61 87.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 1.5700000000000001 108.707 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.59 -37.97 71.37 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.484 -0.76 . . . . 1.4399999999999999 109.196 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -25.2 65.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 0.64000000000000001 109.532 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.05 -12.02 57.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.166 -0.959 . . . . 1.21 109.408 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.29 -5.87 35.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 1.22 109.303 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 0.87 88.92 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.629 -1.388 . . . . 1.5 109.629 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -85.73 5.32 32.79 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.09 -1.241 . . . . 4.1799999999999997 109.265 -179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -50.54 155.2 1.92 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.212 -0.93 . . . . 5.6699999999999999 108.936 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -53.81 124.12 15.07 Favored 'Trans proline' 0 C--N 1.324 -0.759 0 C-N-CA 121.134 1.222 . . . . 5.6500000000000004 110.018 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 CA-C-O 117.907 -1.496 . . . . 7.2699999999999996 109.545 179.766 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.544 ' N ' ' HZ3' ' A' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.494 -0.558 . . . . 7.3300000000000001 109.494 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 321' ' ' LYS . 30.1 ttpt 63.79 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 7.21 109.822 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.544 ' HZ3' ' N ' ' A' ' 319' ' ' LYS . 36.7 mmtm 58.96 149.54 0.08 OUTLIER Pre-proline 0 N--CA 1.5 2.029 0 O-C-N 121.884 -0.51 . . . . 6.4699999999999998 110.0 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.23 -166.82 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 121.183 1.256 . . . . 4.5300000000000002 110.521 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.7 169.62 17.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.406 -0.808 . . . . 4.3499999999999996 109.792 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.51 -140.26 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 2.48 110.211 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.1 172.29 37.69 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.415 -1.074 . . . . 0.97999999999999998 110.415 -179.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -60.91 136.9 58.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.467 -1.02 . . . . 1.7 109.88 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 26.0 m-85 -99.0 158.9 15.34 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.4 -0.812 . . . . 0.60999999999999999 109.906 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.55 140.66 35.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.342 -0.849 . . . . 0.57999999999999996 108.984 179.517 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 51.3 p -92.52 164.0 13.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.245 -0.909 . . . . 0.41999999999999998 109.395 -179.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.08 131.76 14.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.148 -0.97 . . . . 0.35999999999999999 110.14 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.26 128.38 34.66 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.834 -0.802 . . . . 1.3700000000000001 108.834 179.303 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 67.2 mt -124.1 119.76 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.513 -0.742 . . . . 0.46999999999999997 109.955 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.3 152.68 36.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.943 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.89 138.87 1.93 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.607 -0.997 . . . . 0.41999999999999998 110.607 178.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.05 -44.09 14.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -1.04 . . . . 2.6800000000000002 109.374 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.58 -43.14 93.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.05 . . . . 2.2200000000000002 109.052 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 21.5 ttm180 -62.3 -41.45 98.53 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.261 -0.899 . . . . 2.77 109.243 179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.07 -57.16 12.84 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.483 -0.761 . . . . 0.42999999999999999 109.594 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.21 -35.77 50.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 1.6599999999999999 109.721 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.24 -53.82 47.07 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.21 -0.931 . . . . 0.44 109.926 -179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.2 -41.97 97.77 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.18 -0.95 . . . . 0.28999999999999998 108.834 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -51.57 -43.79 62.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.341 -0.85 . . . . 2.4399999999999999 109.141 179.447 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.92 -45.2 95.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 1.74 109.793 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.66 -44.23 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.29999999999999999 109.246 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -57.82 -49.89 75.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.183 -0.948 . . . . 1.22 109.301 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.71 -37.87 88.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.851 . . . . 1.72 109.587 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -53.11 61.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.27000000000000002 109.841 -179.801 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.46 -44.62 96.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.152 -0.968 . . . . 0.28999999999999998 109.372 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.41 -35.13 73.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.544 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.567 HD11 HE22 ' B' ' 354' ' ' GLN . 31.6 tp -64.58 -50.65 66.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.40999999999999998 109.457 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.67 -46.74 86.8 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 1.5600000000000001 108.875 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 1.2 m-20 -58.55 -43.31 89.27 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.436 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.62 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.66000000000000003 109.773 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.47 HE22 HD11 ' B' ' 350' ' ' LEU . 12.3 tt0 -84.17 -20.62 32.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.146 -0.972 . . . . 1.1799999999999999 109.638 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.94 -10.96 60.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -0.931 . . . . 1.23 109.247 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 23.62 7.92 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.606 -1.398 . . . . 1.54 109.606 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.51 109.83 18.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -1.193 . . . . 4.1799999999999997 109.413 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.38 152.61 4.28 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.449 -0.782 . . . . 5.71 109.357 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.71 138.17 80.45 Favored 'Trans proline' 0 C--O 1.215 -0.641 0 C-N-CA 121.054 1.169 . . . . 5.6100000000000003 110.133 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.429 -1.468 . . . . 7.2400000000000002 109.429 179.872 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.55 ' N ' ' HZ3' ' B' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.45 -0.574 . . . . 7.3399999999999999 109.45 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' B' ' 321' ' ' LYS . 30.1 ttpt 63.76 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.577 -0.702 . . . . 7.1699999999999999 109.773 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.55 ' HZ3' ' N ' ' B' ' 319' ' ' LYS . 36.7 mmtm 58.87 149.52 0.08 OUTLIER Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.89 -0.506 . . . . 6.4400000000000004 110.068 179.776 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -55.23 -166.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.479 0.657 0 C-N-CA 121.146 1.23 . . . . 4.54 110.534 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.73 169.65 17.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.393 -0.817 . . . . 4.3200000000000003 109.723 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.56 -140.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 2.4700000000000002 110.193 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 172.16 37.5 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.403 -1.079 . . . . 0.94999999999999996 110.403 -179.302 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.71 136.95 58.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.503 -0.998 . . . . 1.6100000000000001 109.911 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 26.1 m-85 -99.16 158.91 15.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.405 -0.81 . . . . 0.56999999999999995 109.875 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -140.54 140.6 35.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.413 -0.805 . . . . 0.53000000000000003 108.984 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 50.1 p -92.51 164.03 13.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.358 -0.839 . . . . 0.38 109.345 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.09 131.62 14.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.35999999999999999 110.169 -179.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -85.16 128.5 34.69 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.792 -0.818 . . . . 1.3600000000000001 108.792 179.328 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.22 119.62 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.2 0 O-C-N 121.44 -0.788 . . . . 0.48999999999999999 109.985 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 152.72 36.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.499 -0.751 . . . . 2.1000000000000001 110.001 179.688 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.71 138.9 1.87 Allowed Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.203 -0.998 . . . . 0.44 110.702 178.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -84.08 -44.0 14.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.324 -1.103 . . . . 2.7200000000000002 109.321 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.72 -43.06 94.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.952 -1.093 . . . . 2.21 109.072 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.48 98.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.409 -0.807 . . . . 2.79 109.248 179.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -55.0 -57.19 12.68 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.596 -0.69 . . . . 0.45000000000000001 109.632 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.22 -35.86 50.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 1.6799999999999999 109.639 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.09 -53.78 48.2 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.233 -0.917 . . . . 0.42999999999999999 109.973 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.33 -41.88 97.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.11 -0.994 . . . . 0.28000000000000003 108.814 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.581 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.6 OUTLIER -51.6 -43.78 62.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.104 179.489 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.02 -45.12 96.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.346 -0.846 . . . . 1.75 109.738 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.67 -44.24 97.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.31 109.281 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -57.82 -49.93 75.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 1.21 109.23 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.75 -37.91 88.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.249 -0.907 . . . . 1.6899999999999999 109.552 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.542 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.28 -52.98 63.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.27000000000000002 109.88 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.62 -44.45 96.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.29999999999999999 109.346 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.5 -35.12 73.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.489 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.47 HD11 HE22 ' A' ' 354' ' ' GLN . 31.9 tp -64.68 -50.64 66.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.248 -0.907 . . . . 0.40000000000000002 109.436 -179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.58 -46.71 87.06 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.344 -0.847 . . . . 1.5900000000000001 108.957 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 1.2 m-20 -58.6 -43.34 89.51 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.411 179.687 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.11 -23.59 64.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 0.65000000000000002 109.809 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.567 HE22 HD11 ' A' ' 350' ' ' LEU . 12.3 tt0 -84.21 -20.64 31.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.144 -0.973 . . . . 1.1899999999999999 109.64 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.86 -10.94 60.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.191 -0.943 . . . . 1.22 109.254 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 23.58 7.98 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.57 -1.412 . . . . 1.53 109.57 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -85.54 109.83 18.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.285 -1.127 . . . . 4.21 109.381 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -51.33 152.62 4.19 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.321 -0.862 . . . . 5.6799999999999997 109.4 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.73 138.12 80.37 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.083 1.189 . . . . 5.5700000000000003 110.126 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.475 -1.45 . . . . 7.2000000000000002 109.475 179.843 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.538 ' N ' ' HZ3' ' C' ' 321' ' ' LYS . 85.3 tttt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.453 -0.573 . . . . 8.9600000000000009 109.453 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' C' ' 321' ' ' LYS . 30.1 ttpt 63.83 -73.28 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.637 -0.664 . . . . 8.1500000000000004 109.765 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.538 ' HZ3' ' N ' ' C' ' 319' ' ' LYS . 36.7 mmtm 58.96 149.49 0.08 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 O-C-N 122.002 -0.436 . . . . 7.1500000000000004 110.083 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.24 -166.8 0.02 OUTLIER 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.202 1.268 . . . . 4.3499999999999996 110.527 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.69 169.62 17.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.382 -0.824 . . . . 4.6299999999999999 109.77 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.55 -140.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.81 . . . . 2.8500000000000001 110.193 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.04 172.1 37.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.335 -1.106 . . . . 1.1200000000000001 110.335 -179.235 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.7 136.94 58.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.498 -1.001 . . . . 2.1099999999999999 109.928 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 25.7 m-85 -99.05 158.94 15.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.379 -0.826 . . . . 0.64000000000000001 109.881 179.808 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.61 35.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.348 -0.845 . . . . 0.48999999999999999 108.981 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 51.0 p -92.55 163.9 13.64 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.299 -0.876 . . . . 0.46999999999999997 109.298 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -150.02 131.77 15.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.211 -0.931 . . . . 0.41999999999999998 110.154 -179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.27 128.46 34.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.399 -0.813 . . . . 1.8100000000000001 108.833 179.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 67.4 mt -124.2 119.67 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.488 -0.757 . . . . 0.41999999999999998 109.95 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.17 152.74 36.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.459 -0.776 . . . . 2.3500000000000001 109.937 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.75 138.76 1.86 Allowed Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.198 -1.001 . . . . 0.40999999999999998 110.684 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -83.92 -44.04 14.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -1.063 . . . . 2.5899999999999999 109.43 179.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.57 -43.13 93.71 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.944 -1.098 . . . . 2.54 109.087 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 21.4 ttm180 -62.3 -41.41 98.49 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.36 -0.838 . . . . 3.3900000000000001 109.235 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -55.18 -57.13 13.02 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.573 -0.705 . . . . 0.46999999999999997 109.554 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.28 -35.7 50.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.648 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.25 -53.78 47.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.214 -0.929 . . . . 0.60999999999999999 109.933 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.3 -41.92 97.78 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.187 -0.945 . . . . 0.33000000000000002 108.809 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.6 OUTLIER -51.58 -43.73 62.55 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.402 -0.811 . . . . 3.2799999999999998 109.213 179.412 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.05 -45.24 95.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 1.78 109.625 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.6 -44.17 97.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.38 109.293 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.83 75.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.183 -0.948 . . . . 1.2 109.267 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.75 -38.04 88.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 2.1200000000000001 109.507 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.19 -53.09 62.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.26000000000000001 109.773 -179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.59 -44.36 97.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.412 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -59.61 -34.98 73.46 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.909 . . . . 2.0899999999999999 109.543 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.408 HD11 HE22 ' D' ' 354' ' ' GLN . 31.9 tp -64.68 -50.7 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 0.75 109.445 -179.813 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.54 -46.77 86.88 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.346 -0.846 . . . . 2.1899999999999999 108.971 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 1.2 m-20 -58.53 -43.28 89.17 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.585 -0.697 . . . . 1.3400000000000001 109.479 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -23.63 64.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 0.71999999999999997 109.774 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.476 HE22 HD11 ' D' ' 350' ' ' LEU . 12.3 tt0 -84.09 -20.74 32.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 1.8 109.626 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.84 -10.98 60.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.883 . . . . 1.3899999999999999 109.311 179.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 23.63 7.91 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.594 -1.402 . . . . 1.6599999999999999 109.594 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.58 109.95 18.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -1.165 . . . . 4.4500000000000002 109.375 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -51.47 152.61 4.43 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.427 -0.796 . . . . 6.1900000000000004 109.326 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -55.66 138.11 80.11 Favored 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 121.102 1.201 . . . . 5.5800000000000001 110.12 179.479 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 CA-C-O 117.985 -1.453 . . . . 6.9000000000000004 109.471 179.807 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.54 ' N ' ' HZ3' ' D' ' 321' ' ' LYS . 85.4 tttt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.38 -0.6 . . . . 7.3600000000000003 109.38 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' D' ' 321' ' ' LYS . 30.1 ttpt 63.88 -73.24 0.05 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.479 -0.763 . . . . 7.1500000000000004 109.713 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.54 ' HZ3' ' N ' ' D' ' 319' ' ' LYS . 36.6 mmtm 58.93 149.5 0.08 OUTLIER Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.827 -0.545 . . . . 6.5 110.05 179.771 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.2 -166.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 121.183 1.255 . . . . 4.5 110.534 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.68 169.68 17.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.433 -0.792 . . . . 4.3200000000000003 109.724 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.61 -140.24 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 2.46 110.212 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.07 172.22 37.7 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.429 -1.068 . . . . 0.96999999999999997 110.429 -179.25 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.75 136.88 58.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -1.022 . . . . 1.6699999999999999 109.898 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.6 m-85 -99.0 158.91 15.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 109.963 179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -140.59 140.6 35.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.417 -0.802 . . . . 0.56000000000000005 108.948 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 50.5 p -92.45 163.93 13.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.266 -0.896 . . . . 0.42999999999999999 109.382 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.01 131.76 15.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.34999999999999998 110.148 -179.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -85.33 128.41 34.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 108.75 179.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 67.5 mt -124.17 119.72 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.535 -0.728 . . . . 0.47999999999999998 109.94 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 152.76 36.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.792 . . . . 2.0800000000000001 109.915 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.74 138.82 1.86 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 120.207 -0.997 . . . . 0.40000000000000002 110.685 178.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -84.12 -43.93 14.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.395 -1.062 . . . . 2.6400000000000001 109.323 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.61 -43.13 93.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.031 -1.043 . . . . 2.2200000000000002 109.084 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 21.5 ttm180 -62.32 -41.44 98.54 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.298 -0.876 . . . . 2.7400000000000002 109.258 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -55.01 -57.18 12.76 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.481 -0.762 . . . . 0.42999999999999999 109.628 -179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -52.2 -35.81 50.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.261 -0.899 . . . . 1.6899999999999999 109.708 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.21 -53.82 47.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.259 -0.901 . . . . 0.42999999999999999 109.927 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.31 -41.86 97.7 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 108.849 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.6 OUTLIER -51.54 -43.82 62.47 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.335 -0.853 . . . . 2.4500000000000002 109.173 179.36 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.0 -45.23 95.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.378 -0.826 . . . . 1.75 109.713 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.55 -44.21 97.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.923 . . . . 0.31 109.319 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -57.9 -49.86 75.3 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.155 -0.966 . . . . 1.22 109.221 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -37.99 88.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 1.73 109.498 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.33 -53.1 62.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.28000000000000003 109.783 -179.681 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.48 -44.46 97.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 0.31 109.397 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.58 -35.1 73.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.933 . . . . 1.9099999999999999 109.492 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.476 HD11 HE22 ' C' ' 354' ' ' GLN . 31.7 tp -64.58 -50.8 65.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.42999999999999999 109.413 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.46 -46.82 86.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.339 -0.851 . . . . 1.5700000000000001 108.943 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.406 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 1.2 m-20 -58.56 -43.26 89.31 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.562 -0.711 . . . . 1.4399999999999999 109.463 179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.67 64.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.339 -0.851 . . . . 0.64000000000000001 109.684 -179.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.408 HE22 HD11 ' C' ' 350' ' ' LEU . 12.3 tt0 -84.11 -20.78 31.97 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 1.21 109.541 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.81 -10.9 60.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 1.22 109.334 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 23.61 7.99 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.586 -1.406 . . . . 1.5 109.586 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -85.59 109.87 18.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.228 -1.16 . . . . 4.1799999999999997 109.401 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.47 152.6 4.46 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 5.6699999999999999 109.317 -179.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -55.65 138.06 79.94 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.066 1.178 . . . . 5.6500000000000004 110.121 179.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.008 -1.44 . . . . 7.2699999999999996 109.502 179.77 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.344 -0.613 . . . . 7.3300000000000001 109.344 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 60.58 27.11 16.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.417 -0.802 . . . . 7.21 109.649 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 52.66 71.81 1.35 Allowed Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.19 -0.944 . . . . 6.4699999999999998 109.834 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.58 139.07 51.99 Favored 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.539 1.493 . . . . 4.5300000000000002 109.725 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 39.3 mt -80.32 111.56 16.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.955 . . . . 4.3499999999999996 109.217 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.15 106.58 13.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.354 -0.841 . . . . 2.48 109.861 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.496 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.93 154.38 50.92 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.795 -1.322 . . . . 0.97999999999999998 109.795 179.672 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.53 125.22 22.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -1.197 . . . . 1.7 109.2 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 26.4 m-85 -96.46 149.12 22.09 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.236 -0.915 . . . . 0.60999999999999999 110.328 -179.395 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.54 137.87 35.8 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.544 -0.91 . . . . 0.57999999999999996 108.544 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.8 p -95.27 163.89 13.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.275 -0.89 . . . . 0.41999999999999998 108.991 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -149.13 131.8 15.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.043 -1.036 . . . . 0.35999999999999999 110.193 -179.106 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.65 125.39 32.44 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.354 -0.98 . . . . 1.3700000000000001 108.354 179.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.99 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.562 -0.711 . . . . 0.46999999999999997 109.726 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.5 ttt-85 -75.64 155.75 35.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.491 -0.755 . . . . 2.1000000000000001 109.801 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.98 134.88 3.16 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.033 -1.227 . . . . 0.41999999999999998 110.033 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.87 -50.1 9.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.284 -1.127 . . . . 2.6800000000000002 109.461 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.87 -40.85 81.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 2.2200000000000002 109.165 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.443 HH22 ' CG ' ' C' ' 352' ' ' ASP . 26.2 ttm180 -62.05 -43.96 97.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.351 -0.843 . . . . 2.77 109.33 179.802 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.63 -56.46 18.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.554 -0.716 . . . . 0.42999999999999999 109.585 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.31 -37.6 48.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 1.6599999999999999 109.867 -179.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -63.51 -53.11 57.11 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.231 -0.918 . . . . 0.44 110.445 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.45 -42.95 99.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.039 -1.038 . . . . 0.28999999999999998 109.174 -179.569 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.86 -42.5 62.67 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.206 -0.934 . . . . 2.4399999999999999 109.298 179.642 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -61.09 -46.4 90.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.267 -0.896 . . . . 1.74 109.766 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.28 -44.07 97.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.29999999999999999 109.355 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -57.38 -49.76 75.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.22 109.425 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.64 -37.35 86.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.895 . . . . 1.72 109.449 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.84 -52.53 65.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.798 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 352' ' ' ASP . 48.9 mt -61.26 -43.38 98.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.217 -0.927 . . . . 0.28999999999999998 109.504 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.38 -35.98 74.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.406 179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.61 -50.92 65.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.411 -0.806 . . . . 0.40999999999999998 109.171 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.45 -43.28 99.14 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 1.5600000000000001 109.07 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.516 ' CG ' HH22 ' C' ' 337' ' ' ARG . 1.3 m-20 -56.56 -33.45 66.14 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.571 -0.706 . . . . 1.4299999999999999 109.449 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -37.77 82.5 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.66000000000000003 109.736 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.68 -2.55 50.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.189 -0.944 . . . . 1.1799999999999999 109.593 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.2 -81.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 1.23 109.792 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.53 68.88 0.94 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.033 -1.227 . . . . 1.54 110.033 -179.65 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.98 -80.72 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.236 . . . . 4.1799999999999997 109.205 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' A' ' 360' ' ' GLY . 15.4 mm-40 -47.5 110.03 1.24 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 5.71 109.419 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.37 4.24 0.83 Allowed 'Trans proline' 0 CA--C 1.538 0.688 0 N-CA-C 109.79 -0.889 . . . . 5.6100000000000003 109.79 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 118.036 -1.424 . . . . 7.2400000000000002 109.552 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.27 -0.641 . . . . 7.3399999999999999 109.27 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.59 27.12 16.8 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.537 -0.727 . . . . 7.1699999999999999 109.684 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 52.66 71.85 1.34 Allowed Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.141 -0.975 . . . . 6.4400000000000004 109.72 179.585 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.58 139.01 51.79 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 121.59 1.527 . . . . 4.54 109.718 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 39.0 mt -80.27 111.57 16.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.95 . . . . 4.3200000000000003 109.197 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.12 107.1 13.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.401 -0.812 . . . . 2.4700000000000002 109.8 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.504 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.88 154.4 49.8 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.672 -1.371 . . . . 0.94999999999999996 109.672 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.38 125.21 22.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -1.146 . . . . 1.6100000000000001 109.222 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 25.9 m-85 -96.41 149.02 22.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.134 -0.979 . . . . 0.56999999999999995 110.417 -179.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.47 137.73 35.81 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.602 -0.888 . . . . 0.53000000000000003 108.602 179.156 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.19 163.93 13.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.279 -0.888 . . . . 0.38 108.964 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.15 131.72 15.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.35999999999999999 110.256 -179.091 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.47 32.52 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.304 -0.999 . . . . 1.3600000000000001 108.304 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 55.5 mt -123.92 112.02 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.542 -0.724 . . . . 0.48999999999999999 109.697 -179.161 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -75.75 155.79 35.23 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.484 -0.76 . . . . 2.1000000000000001 109.709 179.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.92 134.87 3.14 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.07 -1.212 . . . . 0.44 110.07 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -81.93 -50.08 9.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.347 -1.09 . . . . 2.7200000000000002 109.364 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.84 -40.87 81.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 2.21 109.148 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.475 HH22 ' CG ' ' D' ' 352' ' ' ASP . 26.1 ttm180 -62.03 -43.97 97.7 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 2.79 109.349 179.831 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.62 -56.38 19.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.568 -0.708 . . . . 0.45000000000000001 109.625 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.43 -37.53 49.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -0.877 . . . . 1.6799999999999999 109.845 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.64 -53.04 57.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.331 -0.856 . . . . 0.42999999999999999 110.414 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.49 -42.81 99.36 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.09 -1.006 . . . . 0.28000000000000003 109.227 -179.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.88 -42.46 62.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.263 -0.898 . . . . 2.52 109.348 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.09 -46.46 90.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.324 -0.86 . . . . 1.75 109.693 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.23 -44.14 97.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 0.31 109.351 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -57.42 -49.79 75.09 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 1.21 109.269 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.62 -37.39 86.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.6899999999999999 109.434 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.608 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.73 -52.58 65.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.484 -0.76 . . . . 0.27000000000000002 109.86 -179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' B' ' 352' ' ' ASP . 49.0 mt -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.29999999999999999 109.421 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.54 -35.93 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 1.9299999999999999 109.333 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.565 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.64 -50.81 65.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.40000000000000002 109.209 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.58 -43.19 99.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.88 . . . . 1.5900000000000001 109.125 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.476 ' CG ' HH22 ' D' ' 337' ' ' ARG . 1.3 m-20 -56.57 -33.53 66.25 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.376 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.84 82.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.65000000000000002 109.729 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.58 -2.63 50.75 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 1.1899999999999999 109.66 -179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -82.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 1.22 109.776 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.49 68.84 0.93 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.985 -1.246 . . . . 1.53 109.985 -179.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.89 -80.83 0.22 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.151 -1.205 . . . . 4.21 109.208 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' B' ' 360' ' ' GLY . 15.3 mm-40 -47.37 109.88 1.19 Allowed Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.8 . . . . 5.6799999999999997 109.418 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.3 4.28 0.8 Allowed 'Trans proline' 0 C--O 1.214 -0.711 0 N-CA-C 109.854 -0.864 . . . . 5.5700000000000003 109.854 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 118.04 -1.422 . . . . 7.2000000000000002 109.565 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.301 -0.629 . . . . 8.9600000000000009 109.301 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 60.52 27.1 16.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.497 -0.752 . . . . 8.1500000000000004 109.667 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 52.7 71.79 1.35 Allowed Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.218 -0.926 . . . . 7.1500000000000004 109.762 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.61 139.02 51.65 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 C-N-CA 121.512 1.474 . . . . 4.3499999999999996 109.773 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 39.3 mt -80.25 111.56 16.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -0.915 . . . . 4.6299999999999999 109.159 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.16 106.83 13.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 2.8500000000000001 109.883 -179.718 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.497 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -72.35 154.46 50.51 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.73 -1.348 . . . . 1.1200000000000001 109.73 179.804 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.59 125.22 22.75 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.246 -1.15 . . . . 2.1099999999999999 109.202 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 25.6 m-85 -96.32 149.01 22.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.189 -0.944 . . . . 0.64000000000000001 110.439 -179.446 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -139.51 137.65 35.67 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.579 -0.897 . . . . 0.48999999999999999 108.579 179.088 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.2 p -95.09 163.84 13.13 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.248 -0.908 . . . . 0.46999999999999997 109.048 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.05 131.8 15.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.12 -0.987 . . . . 0.41999999999999998 110.175 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.64 125.26 32.32 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 179.078 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 55.7 mt -123.83 111.95 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.505 -0.747 . . . . 0.41999999999999998 109.718 -179.142 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.5 ttt-85 -75.52 155.9 35.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 2.3500000000000001 109.728 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.77 134.94 3.09 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.062 -1.215 . . . . 0.40999999999999998 110.062 179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.98 -50.03 9.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -1.135 . . . . 2.5899999999999999 109.486 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.93 -40.74 81.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 2.54 109.141 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.516 HH22 ' CG ' ' A' ' 352' ' ' ASP . 26.2 ttm180 -62.12 -43.95 97.71 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.318 -0.864 . . . . 3.3900000000000001 109.365 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.543 -0.723 . . . . 0.46999999999999997 109.604 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.28 -37.66 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.6599999999999999 109.846 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.58 -53.04 57.85 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.273 -0.892 . . . . 0.60999999999999999 110.428 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.49 -42.91 99.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.119 -0.988 . . . . 0.33000000000000002 109.168 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -51.85 -42.4 62.57 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.193 -0.942 . . . . 3.2799999999999998 109.374 179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.13 -46.4 90.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.887 . . . . 1.78 109.73 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.24 -44.17 97.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.38 109.302 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.42 -49.68 75.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.26 -0.9 . . . . 1.2 109.365 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.67 -37.38 86.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.1200000000000001 109.446 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.85 -52.51 65.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.26000000000000001 109.833 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.415 ' O ' ' OD1' ' C' ' 352' ' ' ASP . 48.5 mt -61.26 -43.23 99.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.966 . . . . 0.40000000000000002 109.475 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.59 -35.96 75.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 2.0899999999999999 109.347 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.66 -50.84 65.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.448 -0.783 . . . . 0.75 109.152 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.41 -43.24 99.21 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 2.1899999999999999 109.172 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.443 ' CG ' HH22 ' A' ' 337' ' ' ARG . 1.3 m-20 -56.69 -33.36 66.35 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.58 -0.7 . . . . 1.3400000000000001 109.412 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.74 82.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.71999999999999997 109.743 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.69 -2.54 50.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.251 -0.906 . . . . 1.8 109.616 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.19 -81.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 1.3899999999999999 109.838 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.46 68.85 0.93 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.114 -1.195 . . . . 1.6599999999999999 110.114 -179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.98 -80.79 0.22 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.123 -1.222 . . . . 4.4500000000000002 109.118 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' C' ' 360' ' ' GLY . 15.3 mm-40 -47.4 110.02 1.23 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 6.1900000000000004 109.418 179.796 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.43 4.32 0.82 Allowed 'Trans proline' 0 CA--C 1.537 0.643 0 N-CA-C 109.777 -0.894 . . . . 5.5800000000000001 109.777 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.531 -1.428 . . . . 6.9000000000000004 109.531 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.358 -0.608 . . . . 7.3600000000000003 109.358 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm 60.67 27.09 16.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.493 -0.755 . . . . 7.1500000000000004 109.625 -179.715 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 52.71 71.76 1.36 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.24 -0.912 . . . . 6.5 109.781 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -66.52 139.01 52.13 Favored 'Trans proline' 0 C--N 1.316 -1.163 0 C-N-CA 121.515 1.477 . . . . 4.5 109.808 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.29 111.57 16.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.917 . . . . 4.3200000000000003 109.195 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.12 106.78 13.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.322 -0.862 . . . . 2.46 109.892 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.504 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.31 154.41 50.5 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.727 -1.349 . . . . 0.96999999999999997 109.727 179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.48 125.19 22.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -1.168 . . . . 1.6699999999999999 109.238 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 25.9 m-85 -96.36 149.02 22.16 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.151 -0.968 . . . . 0.60999999999999999 110.345 -179.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -139.49 137.72 35.76 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.666 -0.864 . . . . 0.56000000000000005 108.666 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.9 p -95.17 163.84 13.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.239 -0.913 . . . . 0.42999999999999999 109.012 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.04 131.82 16.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.34999999999999998 110.163 -179.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -84.66 125.4 32.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.408 -0.96 . . . . 1.3700000000000001 108.408 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.95 111.97 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.543 -0.723 . . . . 0.47999999999999998 109.74 -179.151 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.5 ttt-85 -75.55 155.84 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.426 -0.796 . . . . 2.0800000000000001 109.7 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.9 134.84 3.12 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.069 -1.212 . . . . 0.40000000000000002 110.069 179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -81.83 -50.16 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.381 -1.07 . . . . 2.6400000000000001 109.438 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -57.83 -40.89 81.11 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.971 . . . . 2.2200000000000002 109.135 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.476 HH22 ' CG ' ' B' ' 352' ' ' ASP . 26.2 ttm180 -62.13 -43.85 97.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 2.7400000000000002 109.346 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.71 -56.32 20.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.523 -0.736 . . . . 0.42999999999999999 109.64 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.34 -37.63 48.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.389 -0.819 . . . . 1.6899999999999999 109.851 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.0 ttp -63.55 -53.1 57.1 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 110.442 -179.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.44 -42.9 99.48 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.047 -1.033 . . . . 0.27000000000000002 109.179 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -51.9 -42.41 62.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 2.4500000000000002 109.353 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.07 -46.46 90.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.75 109.757 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.33 -44.01 97.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.216 -0.928 . . . . 0.31 109.36 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -57.34 -49.82 74.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.262 -0.899 . . . . 1.22 109.362 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.72 -37.28 85.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.333 -0.854 . . . . 1.73 109.416 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.77 -52.59 65.07 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.428 -0.795 . . . . 0.28000000000000003 109.893 -179.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' D' ' 352' ' ' ASP . 49.6 mt -61.3 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.31 109.39 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.4 -35.94 74.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.361 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.577 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.69 -50.86 65.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.376 -0.827 . . . . 0.42999999999999999 109.156 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.5 -43.18 99.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 1.5700000000000001 109.061 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.475 ' CG ' HH22 ' B' ' 337' ' ' ARG . 1.3 m-20 -56.61 -33.37 66.19 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.66 -0.65 . . . . 1.4399999999999999 109.426 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.78 82.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.237 -0.914 . . . . 0.64000000000000001 109.669 -179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.55 -2.72 50.96 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 1.21 109.692 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.14 -81.93 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 1.22 109.82 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.51 68.88 0.94 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.975 -1.25 . . . . 1.5 109.975 -179.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -85.93 -80.86 0.22 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.162 -1.199 . . . . 4.1799999999999997 109.118 179.561 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' D' ' 360' ' ' GLY . 15.4 mm-40 -47.33 109.92 1.2 Allowed Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.43 -0.794 . . . . 5.6699999999999999 109.39 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.37 4.25 0.82 Allowed 'Trans proline' 0 C--O 1.214 -0.706 0 N-CA-C 109.833 -0.872 . . . . 5.6500000000000004 109.833 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.336 0 CA-C-O 117.973 -1.46 . . . . 7.2699999999999996 109.583 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 321' ' ' LYS . 52.6 mtpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.492 -0.558 . . . . 7.3300000000000001 109.492 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 66.2 tttt 68.94 -24.89 0.14 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.482 -0.761 . . . . 7.21 109.838 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 319' ' ' LYS . 53.5 mttm 55.83 68.76 2.19 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 6.4699999999999998 110.133 179.598 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.25 -153.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.408 1.405 . . . . 4.5300000000000002 109.661 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.53 105.7 11.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 4.3499999999999996 109.404 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -81.09 -120.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.417 -0.802 . . . . 2.48 109.441 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.95 158.61 53.06 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.421 -1.472 . . . . 0.97999999999999998 109.421 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.47 135.98 57.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.206 -1.173 . . . . 1.7 109.468 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.16 159.46 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -0.91 . . . . 0.60999999999999999 109.778 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.46 -170.75 3.06 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 109.387 -179.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.1 118.85 5.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.317 -0.864 . . . . 0.41999999999999998 109.007 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.34 137.99 42.26 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.541 -0.725 . . . . 0.35999999999999999 109.709 -179.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.77 130.46 34.84 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.606 -0.887 . . . . 1.3700000000000001 108.606 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.59 114.03 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.346 -0.846 . . . . 0.46999999999999997 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.5 134.35 40.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.566 -0.708 . . . . 2.1000000000000001 109.393 179.466 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.06 144.17 12.57 Favored Glycine 0 N--CA 1.5 2.906 0 N-CA-C 109.881 -1.288 . . . . 0.41999999999999998 109.881 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -84.97 -55.68 3.94 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.421 -1.046 . . . . 2.6800000000000002 109.72 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.19 -37.02 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.306 -0.871 . . . . 2.2200000000000002 109.482 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.64 -45.04 95.74 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.349 -0.844 . . . . 2.77 109.161 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -55.47 -57.81 10.34 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.53 -0.731 . . . . 0.42999999999999999 109.763 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -51.61 -37.19 48.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.671 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.6 -53.15 56.1 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 0.44 110.128 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -45.07 95.97 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.228 -0.92 . . . . 0.28999999999999998 108.969 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.47 -43.22 55.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.167 -0.958 . . . . 2.4399999999999999 109.293 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.89 -45.43 92.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 1.74 109.843 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.56 -45.27 94.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.174 -0.954 . . . . 0.29999999999999999 109.178 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.16 -49.79 75.77 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.319 -0.863 . . . . 1.22 109.464 179.825 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.76 -36.22 82.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 1.72 109.673 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -54.01 51.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -0.843 . . . . 0.27000000000000002 109.899 -179.663 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.79 -43.92 97.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.9 . . . . 0.28999999999999998 109.427 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.49 72.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.406 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.403 HD11 HE22 ' B' ' 354' ' ' GLN . 35.5 tp -64.3 -48.64 74.86 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.194 -0.941 . . . . 0.40999999999999998 109.422 -179.777 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.9 -47.23 84.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.374 -0.829 . . . . 1.5600000000000001 108.863 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.53 -41.69 81.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.352 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -22.51 64.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.66000000000000003 109.731 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.52 HE22 HD11 ' B' ' 350' ' ' LEU . 10.7 tt0 -83.47 -15.05 51.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 1.1799999999999999 109.687 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.29 -2.95 20.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.241 -0.912 . . . . 1.23 109.314 179.586 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.2 51.88 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.905 -1.278 . . . . 1.54 109.905 -179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.99 118.37 24.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.086 -1.243 . . . . 4.1799999999999997 109.335 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -51.37 152.44 4.42 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.258 -0.901 . . . . 5.71 109.352 -179.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.93 147.83 60.71 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 C-N-CA 121.048 1.165 . . . . 5.6100000000000003 110.109 179.469 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.999 -1.445 . . . . 7.2400000000000002 109.74 179.842 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' B' ' 321' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.537 -0.542 . . . . 7.3399999999999999 109.537 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 66.3 tttt 68.98 -24.9 0.14 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 7.1699999999999999 109.806 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' B' ' 319' ' ' LYS . 53.6 mttm 55.86 68.76 2.18 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.151 -0.968 . . . . 6.4400000000000004 110.101 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -153.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 121.443 1.429 . . . . 4.54 109.67 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.53 105.8 11.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.057 -1.027 . . . . 4.3200000000000003 109.35 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -81.18 -120.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.373 -0.829 . . . . 2.4700000000000002 109.362 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 158.62 52.97 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.469 -1.452 . . . . 0.94999999999999996 109.469 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -58.55 135.96 57.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -1.167 . . . . 1.6100000000000001 109.462 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -93.12 159.49 15.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.56999999999999995 109.695 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.48 -170.7 3.05 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.316 -0.865 . . . . 0.53000000000000003 109.381 -179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.08 118.91 5.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.38 109.037 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.6 tp -105.39 137.95 42.37 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.45 -0.781 . . . . 0.35999999999999999 109.723 -179.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.81 130.43 34.87 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.682 -0.858 . . . . 1.3600000000000001 108.682 178.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.6 113.96 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.405 -0.809 . . . . 0.48999999999999999 109.707 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.59 134.34 40.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.606 -0.684 . . . . 2.1000000000000001 109.332 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.2 12.52 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.03 -55.69 3.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.371 -1.076 . . . . 2.7200000000000002 109.747 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -57.23 -37.01 71.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.321 -0.862 . . . . 2.21 109.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.54 -45.07 95.73 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.349 -0.845 . . . . 2.79 109.14 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.55 -57.76 10.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.564 -0.71 . . . . 0.45000000000000001 109.724 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.58 -37.33 49.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.28 -0.888 . . . . 1.6799999999999999 109.679 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.53 -53.12 56.78 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.42999999999999999 110.146 -179.469 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.32 -45.06 96.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.173 -0.954 . . . . 0.28000000000000003 108.963 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -50.51 -43.16 55.65 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 2.52 109.353 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.84 -45.48 92.27 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 1.75 109.856 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.66 -45.21 95.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.187 -0.946 . . . . 0.31 109.188 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.09 -49.84 75.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.378 -0.826 . . . . 1.21 109.445 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -62.77 -36.1 81.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.618 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.74 -53.96 52.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 0.27000000000000002 109.844 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.73 -44.07 97.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 0.29999999999999999 109.433 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.25 -34.44 72.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.52 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.52 HD11 HE22 ' A' ' 354' ' ' GLN . 35.3 tp -64.31 -48.67 74.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.40000000000000002 109.391 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.83 -47.32 83.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.227 -0.921 . . . . 1.5900000000000001 108.804 179.842 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -57.46 -41.77 81.21 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.553 -0.717 . . . . 1.4299999999999999 109.357 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.39 64.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.46 -0.775 . . . . 0.65000000000000002 109.751 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.403 HE22 HD11 ' A' ' 350' ' ' LEU . 10.6 tt0 -83.5 -15.04 50.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.174 -0.954 . . . . 1.1899999999999999 109.651 -179.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.38 -2.94 21.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 1.22 109.197 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.22 51.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.893 -1.283 . . . . 1.53 109.893 -179.658 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -84.95 118.37 24.5 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.1 -1.235 . . . . 4.21 109.359 179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.42 152.47 4.47 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.266 -0.896 . . . . 5.6799999999999997 109.3 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.91 147.73 61.0 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 121.093 1.195 . . . . 5.5700000000000003 110.1 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.966 -1.463 . . . . 7.2000000000000002 109.727 179.817 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' C' ' 321' ' ' LYS . 52.6 mtpt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.467 -0.568 . . . . 8.9600000000000009 109.467 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 66.4 tttt 68.91 -24.96 0.14 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.458 -0.776 . . . . 8.1500000000000004 109.813 -179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' C' ' 319' ' ' LYS . 53.3 mttm 55.84 68.76 2.19 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.203 -0.935 . . . . 7.1500000000000004 110.165 179.663 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.34 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.021 0 C-N-CA 121.423 1.415 . . . . 4.3499999999999996 109.618 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 105.75 11.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.07 -1.019 . . . . 4.6299999999999999 109.341 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -81.17 -120.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.374 -0.829 . . . . 2.8500000000000001 109.41 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 158.63 53.1 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.369 -1.493 . . . . 1.1200000000000001 109.369 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -58.6 136.03 57.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.248 -1.148 . . . . 2.1099999999999999 109.47 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -93.15 159.42 15.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.306 -0.872 . . . . 0.64000000000000001 109.775 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -140.42 -170.74 3.06 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.449 -0.782 . . . . 0.48999999999999999 109.329 -179.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 32.1 p -153.12 118.84 5.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.258 -0.901 . . . . 0.46999999999999997 108.983 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.8 tp -105.3 137.87 42.41 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.498 -0.751 . . . . 0.41999999999999998 109.794 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.72 130.43 34.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.602 -0.888 . . . . 1.8100000000000001 108.602 178.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.0 mt -123.63 113.97 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.341 -0.849 . . . . 0.41999999999999998 109.739 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.19 40.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.557 -0.715 . . . . 2.3500000000000001 109.45 179.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.19 144.23 12.54 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.911 -1.276 . . . . 0.40999999999999998 109.911 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.0 -55.77 3.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.265 -1.138 . . . . 2.5899999999999999 109.646 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -57.18 -36.99 71.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 2.54 109.48 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.66 -45.01 95.86 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.306 -0.871 . . . . 3.3900000000000001 109.19 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.51 -57.81 10.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.535 -0.728 . . . . 0.46999999999999997 109.735 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.62 -37.24 49.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.73 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.9 ttp -63.48 -53.22 55.44 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.167 -0.958 . . . . 0.60999999999999999 110.154 -179.553 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.2 -45.2 95.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.33000000000000002 108.925 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.5 -43.2 55.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.302 -0.873 . . . . 3.2799999999999998 109.274 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.82 -45.57 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.354 -0.841 . . . . 1.78 109.819 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.49 -45.23 95.1 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -0.91 . . . . 0.38 109.239 179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.17 -49.75 75.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.231 -0.918 . . . . 1.2 109.478 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -62.75 -36.36 82.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1200000000000001 109.617 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.39 -54.19 49.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.26000000000000001 109.939 -179.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.7 -43.85 98.07 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.40000000000000002 109.544 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.35 -34.49 72.44 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.466 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.455 HD11 HE22 ' D' ' 354' ' ' GLN . 35.0 tp -64.24 -48.68 74.86 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.179 -0.95 . . . . 0.75 109.437 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.89 -47.22 84.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.346 -0.846 . . . . 2.1899999999999999 108.821 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -57.56 -41.71 81.57 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.563 -0.71 . . . . 1.3400000000000001 109.353 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -22.43 64.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.383 -0.823 . . . . 0.71999999999999997 109.725 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.511 HE22 HD11 ' D' ' 350' ' ' LEU . 10.6 tt0 -83.51 -14.97 51.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.142 -0.974 . . . . 1.8 109.677 -179.887 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -2.95 21.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.307 -0.871 . . . . 1.3899999999999999 109.263 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.97 8.29 51.53 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.92 -1.272 . . . . 1.6599999999999999 109.92 -179.691 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -84.98 118.33 24.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.084 -1.245 . . . . 4.4500000000000002 109.36 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.43 152.44 4.53 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.847 . . . . 6.1900000000000004 109.284 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.81 147.79 59.63 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 121.075 1.183 . . . . 5.5800000000000001 110.081 179.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 117.909 -1.495 . . . . 6.9000000000000004 109.695 179.762 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' D' ' 321' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.5 -0.556 . . . . 7.3600000000000003 109.5 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 68.98 -24.93 0.14 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.534 -0.729 . . . . 7.1500000000000004 109.764 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' D' ' 319' ' ' LYS . 53.4 mttm 55.82 68.75 2.2 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.104 -0.997 . . . . 6.5 110.148 179.642 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.26 -153.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.472 1.448 . . . . 4.5 109.568 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.55 105.78 11.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.096 -1.003 . . . . 4.3200000000000003 109.329 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -81.14 -120.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 2.46 109.386 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.91 158.62 52.99 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.468 -1.453 . . . . 0.96999999999999997 109.468 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.54 136.01 57.45 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -1.177 . . . . 1.6699999999999999 109.455 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -93.17 159.52 15.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.292 -0.88 . . . . 0.60999999999999999 109.684 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -140.54 -170.76 3.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.832 . . . . 0.56000000000000005 109.332 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 32.2 p -153.11 118.73 5.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.197 -0.939 . . . . 0.42999999999999999 109.106 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.26 137.89 42.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.553 -0.717 . . . . 0.34999999999999998 109.764 -179.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -87.82 130.56 34.83 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.546 -0.909 . . . . 1.3700000000000001 108.546 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.74 113.92 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.407 -0.808 . . . . 0.47999999999999998 109.664 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 134.38 40.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.589 -0.695 . . . . 2.0800000000000001 109.406 179.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 105.1 144.24 12.6 Favored Glycine 0 N--CA 1.5 2.905 0 N-CA-C 109.86 -1.296 . . . . 0.40000000000000002 109.86 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -85.08 -55.68 3.93 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.391 -1.064 . . . . 2.6400000000000001 109.659 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -57.15 -36.97 71.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.828 . . . . 2.2200000000000002 109.434 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.7 -45.03 95.75 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.297 -0.877 . . . . 2.7400000000000002 109.171 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.56 -57.81 10.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.601 -0.687 . . . . 0.42999999999999999 109.634 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.55 -37.32 48.97 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 109.675 -179.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.52 -53.2 55.65 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.234 -0.916 . . . . 0.42999999999999999 110.133 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.24 -45.13 95.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.181 -0.95 . . . . 0.27000000000000002 108.94 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -50.53 -43.18 55.89 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.222 -0.924 . . . . 2.4500000000000002 109.31 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.9 -45.49 92.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.75 109.796 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.53 -45.31 94.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.31 109.233 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -58.1 -49.81 75.67 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.335 -0.853 . . . . 1.22 109.458 179.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.76 -36.19 82.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.262 -0.899 . . . . 1.73 109.63 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.59 -54.02 51.72 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -0.894 . . . . 0.28000000000000003 109.88 -179.633 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.8 -43.87 98.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.31 109.472 -179.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.34 -34.53 72.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.438 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.511 HD11 HE22 ' C' ' 354' ' ' GLN . 35.0 tp -64.2 -48.74 74.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 0.42999999999999999 109.46 -179.854 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.88 -47.26 84.08 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.352 -0.843 . . . . 1.5700000000000001 108.767 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -57.5 -41.69 81.25 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.576 -0.702 . . . . 1.4399999999999999 109.378 179.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -0.808 . . . . 0.64000000000000001 109.737 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.455 HE22 HD11 ' C' ' 350' ' ' LEU . 10.6 tt0 -83.51 -14.91 51.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.088 -1.008 . . . . 1.21 109.682 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.89 21.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 1.22 109.231 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.95 8.24 51.65 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.897 -1.281 . . . . 1.5 109.897 -179.706 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -85.02 118.29 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.015 -1.285 . . . . 4.1799999999999997 109.358 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.32 152.44 4.33 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.269 -0.894 . . . . 5.6699999999999999 109.342 -179.668 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.91 147.8 60.7 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 C-N-CA 121.132 1.221 . . . . 5.6500000000000004 110.058 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 117.973 -1.459 . . . . 7.2699999999999996 109.747 179.816 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 320' ' ' LYS . 91.9 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.449 -0.574 . . . . 7.3300000000000001 109.449 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 319' ' ' LYS . 39.0 tttp 60.88 136.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.577 -0.702 . . . . 7.21 109.933 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 37.8 tttp 57.57 67.72 2.28 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 6.4699999999999998 109.777 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.82 109.19 2.07 Favored 'Trans proline' 0 C--N 1.318 -1.032 0 C-N-CA 121.907 1.738 . . . . 4.5300000000000002 110.695 -179.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.5 mm? -83.53 19.6 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.208 -0.932 . . . . 4.3499999999999996 108.734 178.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.51 -176.47 4.26 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 2.48 110.337 -179.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.509 ' H ' ' CZ ' ' C' ' 333' ' ' ARG . . . -69.48 -177.17 16.71 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.794 -0.922 . . . . 0.97999999999999998 110.794 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.52 148.9 36.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.602 -0.94 . . . . 1.7 110.41 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.22 161.66 13.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.568 -0.708 . . . . 0.60999999999999999 109.464 179.166 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.38 -170.39 2.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.384 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 32.9 p -153.96 125.03 7.32 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.268 -0.895 . . . . 0.41999999999999998 109.089 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.7 tp -116.8 139.61 50.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.507 -0.746 . . . . 0.35999999999999999 109.947 -178.657 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 17.8 tt0 -87.66 129.68 35.05 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.656 -0.653 . . . . 1.3700000000000001 109.278 179.147 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -124.1 118.08 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.546 -0.721 . . . . 0.46999999999999997 109.082 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.609 ' CG ' HH11 ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.53 152.67 39.31 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 2.1000000000000001 109.577 -179.891 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 86.06 137.61 4.6 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.537 -1.025 . . . . 0.41999999999999998 110.537 178.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.72 -51.76 11.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.511 -0.993 . . . . 2.6800000000000002 109.278 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.0 -38.6 76.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.25 -0.906 . . . . 2.2200000000000002 109.175 179.675 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.81 -44.94 90.94 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.357 -0.839 . . . . 2.77 109.723 179.884 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.41 -57.42 11.92 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.526 -0.734 . . . . 0.42999999999999999 109.729 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -51.45 -39.95 58.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 1.6599999999999999 110.145 -179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -63.21 -51.1 67.66 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.071 -1.018 . . . . 0.44 110.249 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.01 -44.6 96.37 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.103 -0.998 . . . . 0.28999999999999998 109.063 -179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -50.86 -42.74 59.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 2.4399999999999999 109.175 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -59.67 -45.79 90.99 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.224 -0.922 . . . . 1.74 109.569 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.58 -48.42 81.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.209 179.781 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 45.8 t-20 -58.2 -48.64 79.72 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.387 -0.82 . . . . 1.22 109.654 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -61.56 -38.19 86.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.353 -0.842 . . . . 1.72 109.463 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.78 -52.49 65.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 0.27000000000000002 109.723 -179.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.86 -41.55 97.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.28999999999999998 109.356 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.28 -38.02 76.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.196 179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.451 HD11 HE22 ' B' ' 354' ' ' GLN . 54.8 tp -63.69 -49.19 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.837 . . . . 0.40999999999999998 109.242 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -62.03 -40.16 94.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.853 . . . . 1.5600000000000001 108.982 179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -56.32 -34.53 66.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.5 -0.75 . . . . 1.4299999999999999 109.526 179.689 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.06 -44.64 75.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 0.66000000000000003 109.602 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.458 HE22 HD11 ' B' ' 350' ' ' LEU . 59.9 mt-30 -80.57 1.1 31.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 1.1799999999999999 109.524 -179.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.58 -86.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 1.23 109.332 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.33 89.03 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.465 -1.454 . . . . 1.54 109.465 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -86.76 -75.01 0.41 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.215 -1.167 . . . . 4.1799999999999997 109.282 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.97 155.42 1.57 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 5.71 109.429 -179.612 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.84 157.17 20.65 Favored 'Trans proline' 0 C--N 1.322 -0.83 0 C-N-CA 121.292 1.328 . . . . 5.6100000000000003 110.208 179.245 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 118.016 -1.435 . . . . 7.2400000000000002 109.667 179.721 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 320' ' ' LYS . 92.6 mttt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.41 -0.589 . . . . 7.3399999999999999 109.41 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 319' ' ' LYS . 39.2 tttp 60.96 136.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.504 -0.748 . . . . 7.1699999999999999 109.887 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 38.1 tttp 57.43 67.69 2.33 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.325 -0.859 . . . . 6.4400000000000004 109.791 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.82 109.15 2.05 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.905 1.736 . . . . 4.54 110.714 -179.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.439 ' N ' HD22 ' B' ' 323' ' ' LEU . 4.5 mm? -83.53 19.76 1.52 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.195 -0.941 . . . . 4.3200000000000003 108.763 178.791 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -77.53 -176.07 4.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.415 -0.803 . . . . 2.4700000000000002 110.302 -179.066 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.506 ' H ' ' CZ ' ' D' ' 333' ' ' ARG . . . -69.91 -177.17 18.96 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.752 -0.939 . . . . 0.94999999999999996 110.752 -178.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 148.69 37.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.675 -0.897 . . . . 1.6100000000000001 110.292 -179.703 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -100.13 161.82 13.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.53 -0.731 . . . . 0.56999999999999995 109.343 179.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.5 -170.4 2.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.397 -0.815 . . . . 0.53000000000000003 109.371 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 32.8 p -153.95 125.19 7.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.398 -0.814 . . . . 0.38 109.037 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.82 139.54 50.48 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.556 0.693 . . . . 0.35999999999999999 109.847 -178.613 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.506 ' O ' ' ND2' ' D' ' 345' ' ' ASN . 17.7 tt0 -87.68 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.571 -0.705 . . . . 1.3600000000000001 109.27 179.059 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -124.16 118.24 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.503 -0.748 . . . . 0.48999999999999999 109.104 179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.65 152.74 39.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.211 -0.93 . . . . 2.1000000000000001 109.572 -179.89 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.495 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 85.75 137.54 4.4 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.509 -1.037 . . . . 0.44 110.509 178.626 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -75.39 -51.98 11.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.621 -0.929 . . . . 2.7200000000000002 109.308 179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.03 -38.34 76.03 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 2.21 109.188 179.844 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.69 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.92 -45.05 91.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.217 -0.927 . . . . 2.79 109.712 179.8 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.28 -57.47 11.67 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.518 -0.739 . . . . 0.45000000000000001 109.72 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.41 -40.01 58.45 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 110.152 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.1 ttp -63.23 -51.06 67.79 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.116 -0.99 . . . . 0.42999999999999999 110.206 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.01 -44.65 96.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.188 -0.945 . . . . 0.28000000000000003 109.051 -179.691 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -50.68 -42.79 57.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.251 -0.905 . . . . 2.52 109.194 179.415 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -59.76 -45.79 91.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.341 -0.849 . . . . 1.75 109.499 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.59 -48.41 81.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.31 109.27 179.761 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 45.6 t-20 -58.11 -48.72 79.34 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 1.21 109.625 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.6 -38.1 86.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.6899999999999999 109.504 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.763 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.77 -52.52 65.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.329 -0.857 . . . . 0.27000000000000002 109.756 -179.703 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.84 -41.53 97.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.964 . . . . 0.29999999999999999 109.423 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -58.29 -38.04 76.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.9299999999999999 109.198 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.458 HD11 HE22 ' A' ' 354' ' ' GLN . 54.9 tp -63.77 -49.03 74.56 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.239 -0.913 . . . . 0.40000000000000002 109.279 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.05 -40.16 94.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 1.5900000000000001 108.965 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -56.41 -34.47 66.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.5 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.62 76.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 0.65000000000000002 109.653 -179.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.451 HE22 HD11 ' A' ' 350' ' ' LEU . 59.9 mt-30 -80.66 1.03 31.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.318 -0.864 . . . . 1.1899999999999999 109.578 -179.851 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.6 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.125 -0.985 . . . . 1.22 109.299 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.18 89.01 0.69 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.529 -1.428 . . . . 1.53 109.529 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -86.79 -75.13 0.4 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.186 -1.184 . . . . 4.21 109.241 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.14 155.43 1.65 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.383 -0.823 . . . . 5.6799999999999997 109.461 -179.554 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.97 156.86 22.22 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 C-N-CA 121.276 1.317 . . . . 5.5700000000000003 110.264 179.277 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.974 -1.459 . . . . 7.2000000000000002 109.621 179.757 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 320' ' ' LYS . 92.3 mttt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.426 -0.583 . . . . 8.9600000000000009 109.426 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 319' ' ' LYS . 38.9 tttp 60.91 136.23 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.511 -0.743 . . . . 8.1500000000000004 109.873 179.805 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 37.9 tttp 57.51 67.55 2.37 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.293 -0.879 . . . . 7.1500000000000004 109.793 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.69 109.13 2.02 Favored 'Trans proline' 0 C--N 1.317 -1.088 0 C-N-CA 121.93 1.753 . . . . 4.3499999999999996 110.764 -179.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' C' ' 323' ' ' LEU . 4.5 mm? -83.5 19.84 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.108 -0.995 . . . . 4.6299999999999999 108.696 178.88 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -77.6 -176.39 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.405 -0.809 . . . . 2.8500000000000001 110.289 -179.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.485 ' H ' ' CZ ' ' A' ' 333' ' ' ARG . . . -69.67 -176.98 17.15 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.838 -0.905 . . . . 1.1200000000000001 110.838 -179.059 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.61 148.91 36.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.607 -0.937 . . . . 2.1099999999999999 110.34 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.22 161.64 13.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.486 -0.759 . . . . 0.64000000000000001 109.424 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.27 -170.37 2.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.322 -0.862 . . . . 0.48999999999999999 109.405 -179.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.0 p -154.01 124.95 7.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.308 -0.87 . . . . 0.46999999999999997 109.096 -179.673 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 60.4 tp -116.72 139.66 50.3 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.665 -0.647 . . . . 0.41999999999999998 109.963 -178.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.483 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 17.8 tt0 -87.69 129.67 35.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.634 -0.666 . . . . 1.8100000000000001 109.273 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.0 mt -124.05 118.2 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.469 -0.769 . . . . 0.41999999999999998 109.103 179.614 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.58 152.7 39.25 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.231 -0.918 . . . . 2.3500000000000001 109.565 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.502 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 86.05 137.8 4.66 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.494 -1.042 . . . . 0.40999999999999998 110.494 178.6 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -75.78 -51.92 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.479 -1.012 . . . . 2.5899999999999999 109.278 179.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.63 76.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.248 -0.908 . . . . 2.54 109.172 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.698 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.77 -45.1 90.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.251 -0.906 . . . . 3.3900000000000001 109.624 179.901 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -57.49 11.6 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.518 -0.739 . . . . 0.46999999999999997 109.725 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.4 -40.05 58.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 110.093 -179.571 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.062 -1.024 . . . . 0.60999999999999999 110.211 -179.058 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.237 -0.914 . . . . 0.33000000000000002 109.067 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.7 -42.82 57.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 3.2799999999999998 109.236 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -59.59 -45.82 90.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.192 -0.942 . . . . 1.78 109.553 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.64 -48.4 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.38 109.209 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 45.5 t-20 -58.14 -48.67 79.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 1.2 109.636 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.56 -38.07 86.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.461 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.73 -52.62 64.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -0.908 . . . . 0.26000000000000001 109.82 -179.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.76 -41.54 97.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.179 -0.951 . . . . 0.40000000000000002 109.375 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -58.26 -38.11 76.29 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 2.0899999999999999 109.254 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 55.5 tp -63.74 -49.09 74.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.75 109.204 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.06 -40.15 94.82 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.373 -0.83 . . . . 2.1899999999999999 108.981 179.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.44 -34.59 66.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.529 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.53 76.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.71999999999999997 109.69 -179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.496 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 59.4 mt-30 -80.71 1.04 31.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.289 -0.882 . . . . 1.8 109.493 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -86.75 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.19 -0.944 . . . . 1.3899999999999999 109.377 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.17 89.16 0.69 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.482 -1.447 . . . . 1.6599999999999999 109.482 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -86.92 -74.99 0.41 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.162 -1.199 . . . . 4.4500000000000002 109.195 179.713 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.95 155.47 1.55 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.821 . . . . 6.1900000000000004 109.41 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.76 156.9 21.27 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.332 1.355 . . . . 5.5800000000000001 110.203 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 117.956 -1.469 . . . . 6.9000000000000004 109.731 179.678 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 320' ' ' LYS . 92.2 mttt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.405 -0.591 . . . . 7.3600000000000003 109.405 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 319' ' ' LYS . 39.1 tttp 60.82 136.24 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.461 -0.774 . . . . 7.1500000000000004 109.924 179.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 37.9 tttp 57.41 67.65 2.35 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 6.5 109.724 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.72 109.19 2.04 Favored 'Trans proline' 0 C--N 1.319 -0.997 0 C-N-CA 121.865 1.71 . . . . 4.5 110.804 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.43 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.5 mm? -83.54 19.83 1.51 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.156 -0.965 . . . . 4.3200000000000003 108.757 178.856 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.63 -176.36 4.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.433 -0.792 . . . . 2.46 110.261 -179.052 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.445 ' H ' ' CZ ' ' B' ' 333' ' ' ARG . . . -69.58 -176.79 16.34 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.758 -0.937 . . . . 0.96999999999999997 110.758 -178.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.87 148.92 37.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.632 -0.922 . . . . 1.6699999999999999 110.313 -179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.34 161.42 13.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.60999999999999999 109.325 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.15 -170.48 2.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.271 -0.893 . . . . 0.56000000000000005 109.332 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -153.75 125.29 7.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 0.42999999999999999 109.008 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.9 139.54 50.51 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.605 -0.685 . . . . 0.34999999999999998 109.901 -178.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.486 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 17.7 tt0 -87.69 129.78 35.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.215 -0.661 . . . . 1.3700000000000001 109.215 179.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -124.12 118.18 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.471 -0.768 . . . . 0.47999999999999998 109.119 179.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.61 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.66 152.69 39.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 2.0800000000000001 109.513 -179.826 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.494 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 85.98 137.8 4.62 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.466 -1.054 . . . . 0.40000000000000002 110.466 178.585 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -75.63 -52.02 11.49 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.466 -1.02 . . . . 2.6400000000000001 109.275 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.94 -38.49 76.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 2.2200000000000002 109.166 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.691 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.93 -44.97 91.44 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 2.7400000000000002 109.725 179.891 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.32 -57.37 12.12 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.595 -0.69 . . . . 0.42999999999999999 109.793 -179.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -51.44 -40.06 58.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 1.6899999999999999 110.078 -179.647 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.5 ttp -63.33 -50.93 68.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.059 -1.026 . . . . 0.42999999999999999 110.216 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.01 -44.6 96.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.148 -0.97 . . . . 0.27000000000000002 109.136 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -50.81 -42.79 58.58 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 109.201 179.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -59.66 -45.75 91.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 1.75 109.548 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.62 -48.42 80.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.31 109.193 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 45.6 t-20 -58.23 -48.63 79.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 1.22 109.661 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.54 -38.1 86.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.892 . . . . 1.73 109.453 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.74 -52.65 64.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.358 -0.839 . . . . 0.28000000000000003 109.797 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.79 -41.59 97.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.31 109.279 -179.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.31 -37.99 76.19 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.17 -0.956 . . . . 1.9099999999999999 109.185 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.79 -49.16 74.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.86 . . . . 0.42999999999999999 109.226 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.0 -40.07 94.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.332 -0.855 . . . . 1.5700000000000001 108.944 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.46 -34.53 66.98 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.519 -0.738 . . . . 1.4399999999999999 109.567 179.677 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.51 76.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.163 -0.961 . . . . 0.64000000000000001 109.698 -179.751 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.496 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 59.3 mt-30 -80.6 1.0 31.62 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.325 -0.859 . . . . 1.21 109.497 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.52 -86.73 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 1.22 109.342 179.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.27 89.16 0.7 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.48 -1.448 . . . . 1.5 109.48 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -86.84 -74.96 0.41 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.219 -1.165 . . . . 4.1799999999999997 109.278 179.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.04 155.51 1.58 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.434 -0.791 . . . . 5.6699999999999999 109.514 -179.629 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.96 157.0 21.61 Favored 'Trans proline' 0 C--N 1.322 -0.847 0 C-N-CA 121.196 1.264 . . . . 5.6500000000000004 110.17 179.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 117.965 -1.464 . . . . 7.2699999999999996 109.647 179.716 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.41 -0.589 . . . . 7.3300000000000001 109.41 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.31 62.65 2.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.955 . . . . 7.21 109.185 -179.767 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.75 62.87 7.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.403 -0.811 . . . . 6.4699999999999998 109.927 -179.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -65.97 131.0 25.85 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.424 1.416 . . . . 4.5300000000000002 109.658 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.56 90.44 5.71 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.023 . . . . 4.3499999999999996 108.999 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.36 -158.17 0.36 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.496 -0.753 . . . . 2.48 109.897 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 170.36 42.87 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.721 -1.352 . . . . 0.97999999999999998 109.721 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.64 139.9 57.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -1.11 . . . . 1.7 109.732 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -93.75 156.74 16.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.209 -0.932 . . . . 0.60999999999999999 109.301 179.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.22 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.226 -0.921 . . . . 0.57999999999999996 109.338 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.3 p -150.35 151.07 32.29 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.307 -0.871 . . . . 0.41999999999999998 108.683 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.4 132.83 23.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.363 -0.836 . . . . 0.35999999999999999 109.601 -178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.53 127.6 34.13 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.586 -0.894 . . . . 1.3700000000000001 108.586 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.42 116.34 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.49 -0.756 . . . . 0.46999999999999997 109.222 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.68 154.57 36.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.475 -0.766 . . . . 2.1000000000000001 110.109 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.38 136.68 2.47 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.566 -1.014 . . . . 0.41999999999999998 110.566 179.02 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 41.4 ttm-85 -81.64 -45.76 15.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.441 -1.034 . . . . 2.6800000000000002 109.078 179.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -57.64 -47.72 81.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.064 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -62.55 -42.84 99.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.311 -0.868 . . . . 2.77 109.038 179.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -55.34 -58.47 7.59 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.707 -0.621 . . . . 0.42999999999999999 109.768 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.29 -37.28 46.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.346 -0.846 . . . . 1.6599999999999999 109.93 -179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.86 -50.59 68.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.44 110.338 -179.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.028 -1.045 . . . . 0.28999999999999998 109.387 -179.675 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.412 ' NH1' ' HG3' ' A' ' 342' ' ' ARG . 12.9 ttm-85 -51.3 -42.67 61.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.071 -1.018 . . . . 2.4399999999999999 109.176 179.57 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.3 -45.21 95.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.74 109.945 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.19 -43.42 98.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.107 -0.996 . . . . 0.29999999999999999 109.29 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.34 -51.29 70.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.203 -0.936 . . . . 1.22 109.348 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.67 -34.44 77.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 1.72 109.521 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.92 -53.36 59.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.352 -0.843 . . . . 0.27000000000000002 109.857 -179.651 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.24 -43.71 98.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.28999999999999998 109.286 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -58.34 -39.86 80.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.251 -0.906 . . . . 1.9099999999999999 109.16 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.49 HD13 HE22 ' B' ' 354' ' ' GLN . 27.1 tp -64.3 -37.81 88.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.247 -0.908 . . . . 0.40999999999999998 109.035 179.741 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.89 -43.8 98.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.597 -0.89 . . . . 1.5600000000000001 108.597 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.29 -36.09 68.24 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.252 -0.648 . . . . 1.4299999999999999 109.252 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.87 66.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.316 -0.865 . . . . 0.66000000000000003 109.037 179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.412 HE22 HD13 ' B' ' 350' ' ' LEU . 14.4 tt0 -82.37 -11.68 58.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.305 -0.872 . . . . 1.1799999999999999 109.262 179.676 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.94 -83.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.251 -0.906 . . . . 1.23 109.483 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 73.83 0.52 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.546 -1.422 . . . . 1.54 109.546 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.16 133.09 33.88 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.305 -1.115 . . . . 4.1799999999999997 109.482 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -50.98 152.68 3.55 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.258 -0.901 . . . . 5.71 108.972 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.85 142.34 84.13 Favored 'Trans proline' 0 C--N 1.323 -0.807 0 C-N-CA 120.983 1.122 . . . . 5.6100000000000003 109.871 179.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.562 -1.415 . . . . 7.2400000000000002 109.562 -179.971 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.431 -0.581 . . . . 7.3399999999999999 109.431 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.25 62.74 2.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.22 -0.925 . . . . 7.1699999999999999 109.161 -179.791 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.72 62.85 7.72 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.326 -0.859 . . . . 6.4400000000000004 109.94 -179.613 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -65.97 131.0 25.82 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.394 1.396 . . . . 4.54 109.703 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.5 90.35 5.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.007 . . . . 4.3200000000000003 108.996 179.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.28 -158.09 0.35 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 2.4700000000000002 109.904 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.74 170.3 43.49 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.685 -1.366 . . . . 0.94999999999999996 109.685 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.56 139.94 57.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.283 -1.128 . . . . 1.6100000000000001 109.751 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -93.75 156.8 16.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.232 -0.917 . . . . 0.56999999999999995 109.276 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.28 -174.18 3.87 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.53000000000000003 109.281 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -150.32 151.02 32.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.38 108.693 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 68.3 tp -143.32 132.81 23.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.23 -0.919 . . . . 0.35999999999999999 109.61 -178.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.58 34.14 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.592 -0.892 . . . . 1.3600000000000001 108.592 179.236 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.6 mt -123.39 116.37 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.549 -0.719 . . . . 0.48999999999999999 109.237 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.67 154.56 36.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 2.1000000000000001 110.092 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.28 136.7 2.43 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.567 -1.013 . . . . 0.44 110.567 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 41.5 ttm-85 -81.68 -45.71 15.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -1.037 . . . . 2.7200000000000002 109.051 179.421 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.69 -47.68 81.68 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.884 . . . . 2.21 109.104 179.815 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.5 -43.0 99.88 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 2.79 108.988 179.734 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.3 -58.43 7.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.674 -0.641 . . . . 0.45000000000000001 109.785 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -51.35 -37.28 47.06 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.908 -179.522 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.73 -50.62 68.42 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.197 -0.94 . . . . 0.42999999999999999 110.456 -179.312 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.66 -43.47 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.076 -1.015 . . . . 0.28000000000000003 109.41 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' B' ' 342' ' ' ARG . 12.8 ttm-85 -51.26 -42.79 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.082 . . . . 2.52 109.124 179.545 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.23 -45.15 95.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.32 -0.863 . . . . 1.75 109.999 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.2 -43.53 98.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.2 -0.938 . . . . 0.31 109.261 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -58.2 -51.39 69.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.213 -0.929 . . . . 1.21 109.35 179.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -62.67 -34.43 77.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.875 . . . . 1.6899999999999999 109.549 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.659 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.82 -53.45 58.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.369 -0.832 . . . . 0.27000000000000002 109.9 -179.739 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.25 -43.68 98.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.221 -0.924 . . . . 0.29999999999999999 109.194 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.45 -39.82 80.9 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.164 179.766 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.412 HD13 HE22 ' A' ' 354' ' ' GLN . 26.8 tp -64.31 -37.72 88.48 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.314 -0.866 . . . . 0.40000000000000002 109.071 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.94 -43.84 98.0 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.588 -0.893 . . . . 1.5900000000000001 108.588 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -56.24 -36.1 68.13 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.228 -0.656 . . . . 1.4299999999999999 109.228 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -25.89 66.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.65000000000000002 109.021 179.743 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.49 HE22 HD13 ' A' ' 350' ' ' LEU . 14.4 tt0 -82.49 -11.56 58.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -0.847 . . . . 1.1899999999999999 109.272 179.735 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.1 -83.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.832 . . . . 1.22 109.487 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.12 73.89 0.53 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.488 -1.445 . . . . 1.53 109.488 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -86.2 133.11 33.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -1.156 . . . . 4.21 109.509 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -51.0 152.7 3.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 5.6799999999999997 108.925 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.88 142.33 84.38 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.04 1.16 . . . . 5.5700000000000003 109.826 179.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.033 -1.426 . . . . 7.2000000000000002 109.54 179.918 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.5 -0.556 . . . . 8.9600000000000009 109.5 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.34 62.72 2.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.143 -0.973 . . . . 8.1500000000000004 109.189 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.69 62.88 7.7 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 7.1500000000000004 109.936 -179.579 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.02 130.94 25.6 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.434 1.423 . . . . 4.3499999999999996 109.676 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.47 90.43 5.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.087 -1.008 . . . . 4.6299999999999999 109.032 179.551 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.36 -158.2 0.36 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.524 -0.735 . . . . 2.8500000000000001 109.859 -179.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.52 170.38 42.66 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.738 -1.345 . . . . 1.1200000000000001 109.738 179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.7 139.87 57.71 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -1.144 . . . . 2.1099999999999999 109.744 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.75 156.79 16.48 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.306 -0.871 . . . . 0.64000000000000001 109.289 179.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.26 -174.16 3.86 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.48999999999999999 109.304 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -150.39 151.02 32.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.27 -0.894 . . . . 0.46999999999999997 108.681 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 68.5 tp -143.37 132.83 23.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.3 -0.875 . . . . 0.41999999999999998 109.584 -178.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -84.61 127.6 34.15 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.617 -0.883 . . . . 1.8100000000000001 108.617 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.4 116.34 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.534 -0.729 . . . . 0.41999999999999998 109.193 -179.543 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -75.66 154.59 36.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.504 -0.747 . . . . 2.3500000000000001 110.06 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.35 136.7 2.46 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.507 -1.037 . . . . 0.40999999999999998 110.507 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttm-85 -81.68 -45.72 15.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -1.063 . . . . 2.5899999999999999 109.055 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -57.68 -47.69 81.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.85 . . . . 2.54 109.088 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.44 -42.98 99.86 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.371 -0.83 . . . . 3.3900000000000001 109.123 179.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -55.24 -58.45 7.63 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.556 -0.715 . . . . 0.46999999999999997 109.822 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.42 -37.11 46.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.964 -179.574 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.89 -50.55 68.31 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.19 -0.944 . . . . 0.60999999999999999 110.407 -179.273 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.45 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.965 -1.084 . . . . 0.33000000000000002 109.422 -179.718 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' C' ' 342' ' ' ARG . 12.8 ttm-85 -51.23 -42.84 61.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.031 -1.043 . . . . 3.2799999999999998 109.091 179.491 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.27 -45.23 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -0.864 . . . . 1.78 109.923 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.16 -43.47 98.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.18 -0.95 . . . . 0.38 109.302 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.38 70.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.2 109.326 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.34 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.561 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.92 -53.45 58.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.26000000000000001 109.854 -179.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.1 -43.77 98.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.096 -1.003 . . . . 0.40000000000000002 109.255 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.37 -39.89 80.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 2.0899999999999999 109.108 179.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.46 HD13 HE22 ' D' ' 354' ' ' GLN . 27.1 tp -64.36 -37.77 88.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.309 -0.869 . . . . 0.75 108.98 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.92 -43.78 98.13 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.605 -0.887 . . . . 2.1899999999999999 108.605 179.243 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -56.16 -36.22 68.07 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.296 -0.631 . . . . 1.3400000000000001 109.296 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -25.85 66.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.317 -0.864 . . . . 0.71999999999999997 109.053 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.527 HE22 HD13 ' D' ' 350' ' ' LEU . 14.4 tt0 -82.44 -11.58 58.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 1.8 109.303 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 -83.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.204 -0.935 . . . . 1.3899999999999999 109.489 179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.07 73.92 0.52 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.531 -1.427 . . . . 1.6599999999999999 109.531 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.19 133.12 33.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.237 -1.154 . . . . 4.4500000000000002 109.461 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -51.09 152.7 3.7 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.914 . . . . 6.1900000000000004 108.888 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.83 142.35 83.93 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.028 1.152 . . . . 5.5800000000000001 109.856 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.999 -1.445 . . . . 6.9000000000000004 109.523 -179.976 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.507 -0.553 . . . . 7.3600000000000003 109.507 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 53.4 tttp 55.27 62.72 2.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 7.1500000000000004 109.19 -179.74 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 54.8 62.81 7.68 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 6.5 109.881 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -65.93 130.97 25.82 Favored 'Trans proline' 0 C--N 1.318 -1.048 0 C-N-CA 121.449 1.433 . . . . 4.5 109.671 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.3 mt -80.47 90.39 5.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.072 -1.018 . . . . 4.3200000000000003 109.0 179.529 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.36 -158.15 0.36 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 2.46 109.837 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 170.4 42.87 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.694 -1.363 . . . . 0.96999999999999997 109.694 179.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.72 139.86 57.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -1.141 . . . . 1.6699999999999999 109.679 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.68 156.78 16.51 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.203 -0.936 . . . . 0.60999999999999999 109.306 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.25 -174.26 3.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.262 -0.899 . . . . 0.56000000000000005 109.266 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.8 p -150.34 151.03 32.25 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.627 -0.879 . . . . 0.42999999999999999 108.627 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 68.1 tp -143.32 132.88 23.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.34999999999999998 109.548 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -84.7 127.62 34.19 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.249 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.4 116.32 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.444 -0.785 . . . . 0.47999999999999998 109.145 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -75.68 154.67 36.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.482 -0.762 . . . . 2.0800000000000001 110.093 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.26 136.63 2.41 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.623 -0.991 . . . . 0.40000000000000002 110.623 179.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -81.67 -45.67 15.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.395 -1.062 . . . . 2.6400000000000001 109.067 179.445 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -57.67 -47.67 81.67 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.34 -0.85 . . . . 2.2200000000000002 109.13 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.391 -0.818 . . . . 2.7400000000000002 109.04 179.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.33 -58.42 7.8 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.58 -0.7 . . . . 0.42999999999999999 109.773 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.41 -37.17 47.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 110.014 -179.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -63.74 -50.63 68.35 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.25 -0.906 . . . . 0.42999999999999999 110.455 -179.326 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -61.67 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.027 -1.046 . . . . 0.27000000000000002 109.393 -179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.403 ' NH1' ' HG3' ' D' ' 342' ' ' ARG . 12.8 ttm-85 -51.31 -42.75 61.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.006 -1.059 . . . . 2.4500000000000002 109.089 179.519 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.34 -45.14 95.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.414 -0.804 . . . . 1.75 109.953 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.22 -43.47 98.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.169 -0.957 . . . . 0.31 109.274 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.27 -51.26 70.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.935 . . . . 1.22 109.421 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.67 -34.49 77.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 1.73 109.556 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.651 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.87 -53.46 58.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.292 -0.88 . . . . 0.28000000000000003 109.827 -179.661 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.8 mt -61.16 -43.78 98.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.31 109.201 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.32 -39.83 80.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.303 -0.873 . . . . 1.9099999999999999 109.203 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.527 HD13 HE22 ' C' ' 354' ' ' GLN . 27.1 tp -64.39 -37.78 88.73 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 0.42999999999999999 108.977 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -61.93 -43.76 98.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.241 -0.912 . . . . 1.5700000000000001 108.609 179.276 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.3 -36.11 68.29 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.247 -0.649 . . . . 1.4399999999999999 109.247 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -25.71 66.38 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.303 -0.873 . . . . 0.64000000000000001 109.172 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.46 HE22 HD13 ' C' ' 350' ' ' LEU . 14.4 tt0 -82.55 -11.56 58.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.397 -0.814 . . . . 1.21 109.198 179.679 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.03 -83.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.241 -0.912 . . . . 1.22 109.447 179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 73.9 0.52 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.56 -1.416 . . . . 1.5 109.56 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -86.13 133.01 33.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.242 -1.152 . . . . 4.1799999999999997 109.514 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -50.99 152.65 3.58 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 5.6699999999999999 108.98 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.75 142.38 83.21 Favored 'Trans proline' 0 C--N 1.323 -0.792 0 C-N-CA 120.979 1.12 . . . . 5.6500000000000004 109.836 179.44 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.011 -1.438 . . . . 7.2699999999999996 109.559 179.897 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.198 -0.667 . . . . 7.3300000000000001 109.198 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 321' ' ' LYS . 55.6 mttp 52.24 92.31 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 7.21 110.084 179.511 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 320' ' ' LYS . 34.8 mtpt 59.93 137.42 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.719 -0.613 . . . . 6.4699999999999998 110.25 179.392 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.43 -153.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 120.877 1.051 . . . . 4.5300000000000002 109.533 179.065 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.98 131.81 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.175 -0.953 . . . . 4.3499999999999996 109.209 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -80.04 -141.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 2.48 109.869 -179.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.54 173.7 33.02 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.979 -1.248 . . . . 0.97999999999999998 109.979 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.96 135.28 57.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.399 -1.059 . . . . 1.7 109.679 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.8 155.23 16.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.3 -0.875 . . . . 0.60999999999999999 109.733 179.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.83 139.79 34.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.327 -0.858 . . . . 0.57999999999999996 109.068 179.397 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.9 p -96.4 163.89 12.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 0.41999999999999998 108.894 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.7 134.87 18.1 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.063 -1.023 . . . . 0.35999999999999999 110.045 -179.273 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.04 127.58 34.27 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.79 -0.819 . . . . 1.3700000000000001 108.79 179.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.3 mt -123.42 111.17 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.524 -0.735 . . . . 0.46999999999999997 109.198 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.54 40.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 2.1000000000000001 110.027 -179.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.19 135.98 4.13 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.468 -1.053 . . . . 0.41999999999999998 110.468 179.098 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -38.4 31.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -1.037 . . . . 2.6800000000000002 108.902 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.558 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 9.9 mp0 -59.28 -46.88 87.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 2.2200000000000002 109.183 179.706 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.95 -39.86 93.55 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.529 -0.732 . . . . 2.77 109.506 179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -55.04 -53.38 56.58 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.431 -0.793 . . . . 0.42999999999999999 109.598 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.13 -42.74 66.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.798 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.9 -50.47 70.74 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.313 -0.867 . . . . 0.44 110.23 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.26 -45.93 92.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.12 -0.987 . . . . 0.28999999999999998 108.986 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.83 -42.83 62.85 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.217 -0.927 . . . . 2.4399999999999999 109.38 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.97 -45.32 95.22 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 1.74 109.985 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.145 -0.972 . . . . 0.29999999999999999 109.252 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.34 -50.98 71.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 1.22 109.485 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.63 99.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 1.72 109.823 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.86 -51.48 69.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.27000000000000002 109.757 -179.602 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.26 -45.46 93.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.28999999999999998 109.392 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.79 -34.46 73.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.226 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.42 HD11 HE22 ' B' ' 354' ' ' GLN . 51.3 tp -63.86 -48.73 75.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.433 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.65 -43.67 98.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.4 -0.812 . . . . 1.5600000000000001 109.017 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -32.49 64.26 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.696 -0.627 . . . . 1.4299999999999999 109.404 179.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -44.19 78.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.66000000000000003 109.672 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' A' ' 356' ' ' GLY . 56.9 mt-30 -80.93 -1.37 43.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 1.1799999999999999 109.565 -179.775 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.1 8.64 0.52 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.272 -0.892 . . . . 1.23 109.185 179.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 354' ' ' GLN . . . -85.16 -70.19 1.34 Allowed Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.492 -1.443 . . . . 1.54 109.492 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.78 133.58 35.35 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.307 -1.114 . . . . 4.1799999999999997 109.658 -179.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 358' ' ' GLU . 2.6 pt-20 -49.88 153.91 2.04 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.342 -0.849 . . . . 5.71 109.222 -179.603 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.25 -175.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 121.213 1.275 . . . . 5.6100000000000003 109.919 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.942 -1.477 . . . . 7.2400000000000002 109.525 179.954 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.178 -0.675 . . . . 7.3399999999999999 109.178 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 321' ' ' LYS . 55.6 mttp 52.14 92.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.392 -0.818 . . . . 7.1699999999999999 110.176 179.598 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 320' ' ' LYS . 34.8 mtpt 60.08 137.39 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.765 -0.584 . . . . 6.4400000000000004 110.226 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.42 -153.77 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 120.974 1.116 . . . . 4.54 109.536 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.98 131.79 36.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 4.3200000000000003 109.204 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -80.08 -141.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -0.886 . . . . 2.4700000000000002 109.865 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 173.62 32.04 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.957 -1.257 . . . . 0.94999999999999996 109.957 -179.649 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.93 135.25 57.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.356 -1.084 . . . . 1.6100000000000001 109.685 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.76 155.31 16.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.26 -0.9 . . . . 0.56999999999999995 109.744 179.789 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -140.89 139.78 34.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.319 -0.863 . . . . 0.53000000000000003 109.029 179.402 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.37 163.93 12.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.375 -0.828 . . . . 0.38 108.86 179.737 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.72 134.98 18.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.093 -1.004 . . . . 0.35999999999999999 110.047 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -85.09 127.63 34.31 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.839 -0.8 . . . . 1.3600000000000001 108.839 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 60.7 mt -123.44 111.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.584 0.707 . . . . 0.48999999999999999 109.215 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.58 40.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 2.1000000000000001 110.05 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.08 136.02 4.08 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.462 -1.055 . . . . 0.44 110.462 179.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.26 -38.4 31.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.357 -1.084 . . . . 2.7200000000000002 108.863 179.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' B' ' 336' ' ' GLU . 9.9 mp0 -59.32 -46.84 87.48 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.288 -0.883 . . . . 2.21 109.155 179.736 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.87 -39.98 93.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.485 -0.759 . . . . 2.79 109.501 179.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -54.97 -53.36 56.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.471 -0.768 . . . . 0.45000000000000001 109.675 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.57 66.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.887 . . . . 1.6799999999999999 109.757 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.89 -50.56 70.4 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.333 -0.854 . . . . 0.42999999999999999 110.279 -179.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -45.98 92.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.28000000000000003 109.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.77 -42.8 62.67 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.251 -0.906 . . . . 2.52 109.486 179.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.03 -45.32 95.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.31 -0.869 . . . . 1.75 109.925 -179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.48 -43.38 98.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 0.31 109.26 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.29 -50.99 71.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.894 . . . . 1.21 109.509 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.0 -42.6 99.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.908 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.423 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.84 -51.42 69.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.258 -0.901 . . . . 0.27000000000000002 109.834 -179.693 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.32 -45.55 92.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.381 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.67 -34.34 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.238 -0.914 . . . . 1.9299999999999999 109.282 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.4 HD11 HE22 ' A' ' 354' ' ' GLN . 51.2 tp -63.99 -48.7 75.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.472 -0.767 . . . . 0.40000000000000002 109.437 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.6 -43.62 98.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.846 . . . . 1.5900000000000001 109.008 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.677 -0.64 . . . . 1.4299999999999999 109.413 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.08 78.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.65000000000000002 109.706 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' B' ' 356' ' ' GLY . 56.9 mt-30 -81.03 -1.31 43.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 1.1899999999999999 109.54 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.04 8.61 0.52 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 1.22 109.169 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' B' ' 354' ' ' GLN . . . -85.17 -70.17 1.34 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.502 -1.439 . . . . 1.53 109.502 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -81.79 133.55 35.35 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.265 -1.138 . . . . 4.21 109.652 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.72 153.87 1.94 Allowed Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.366 -0.834 . . . . 5.6799999999999997 109.166 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -54.29 -175.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.324 -0.74 0 C-N-CA 121.169 1.246 . . . . 5.5700000000000003 109.916 179.328 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 117.979 -1.456 . . . . 7.2000000000000002 109.515 179.979 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.206 -0.665 . . . . 8.9600000000000009 109.206 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' C' ' 321' ' ' LYS . 55.6 mttp 52.19 92.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.347 -0.846 . . . . 8.1500000000000004 110.117 179.546 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' C' ' 320' ' ' LYS . 34.8 mtpt 59.97 137.37 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.84 -0.538 . . . . 7.1500000000000004 110.204 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.34 -153.8 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 120.965 1.11 . . . . 4.3499999999999996 109.542 179.039 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.96 131.82 36.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.131 -0.981 . . . . 4.6299999999999999 109.17 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -80.06 -141.13 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.273 -0.892 . . . . 2.8500000000000001 109.826 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 173.65 32.61 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.913 -1.275 . . . . 1.1200000000000001 109.913 -179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.01 135.34 57.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.418 -1.048 . . . . 2.1099999999999999 109.699 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -95.87 155.3 16.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.239 -0.913 . . . . 0.64000000000000001 109.679 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.88 139.8 34.46 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.424 -0.798 . . . . 0.48999999999999999 109.027 179.403 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.35 163.8 12.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.423 -0.798 . . . . 0.46999999999999997 108.861 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.67 134.92 18.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.019 -1.051 . . . . 0.41999999999999998 110.039 -179.355 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.03 127.65 34.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.815 -0.809 . . . . 1.8100000000000001 108.815 179.303 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.2 mt -123.42 111.11 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 N-CA-C 109.206 -0.665 . . . . 0.41999999999999998 109.206 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.94 147.58 40.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -0.804 . . . . 2.3500000000000001 110.059 -179.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.14 135.96 4.1 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.518 -1.033 . . . . 0.40999999999999998 110.518 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -80.22 -38.36 31.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.405 -1.056 . . . . 2.5899999999999999 108.888 179.353 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 mp0 -59.29 -46.88 87.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 2.54 109.105 179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -61.96 -39.84 93.52 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.427 -0.796 . . . . 3.3900000000000001 109.502 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -55.11 -53.33 57.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.487 -0.758 . . . . 0.46999999999999997 109.578 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.28 -42.6 66.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.342 -0.849 . . . . 1.6599999999999999 109.754 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.95 -50.51 70.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.267 -0.896 . . . . 0.60999999999999999 110.25 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.27 -45.94 92.42 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.071 -1.018 . . . . 0.33000000000000002 108.95 -179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.8 -42.86 62.8 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.283 -0.885 . . . . 3.2799999999999998 109.484 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -60.95 -45.34 95.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.352 -0.842 . . . . 1.78 109.919 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.172 -0.955 . . . . 0.38 109.262 -179.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.21 -51.07 71.57 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.243 -0.911 . . . . 1.2 109.525 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.97 -42.57 99.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 2.1200000000000001 109.884 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.98 -51.4 69.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.26000000000000001 109.752 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.28 -45.65 92.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.147 -0.97 . . . . 0.40000000000000002 109.326 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.62 -34.39 72.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -0.893 . . . . 2.0899999999999999 109.281 179.822 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.511 HD11 HE22 ' D' ' 354' ' ' GLN . 51.0 tp -63.92 -48.73 75.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.366 -0.834 . . . . 0.75 109.456 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -62.56 -43.72 98.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 108.95 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.07 -32.51 64.19 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.389 179.772 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -44.0 78.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.3 -0.875 . . . . 0.71999999999999997 109.702 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.504 HE22 HD11 ' D' ' 350' ' ' LEU . 56.9 mt-30 -81.04 -1.34 43.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.82 . . . . 1.8 109.55 -179.816 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.07 8.66 0.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.925 . . . . 1.3899999999999999 109.218 179.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' C' ' 354' ' ' GLN . . . -85.22 -70.21 1.34 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.459 -1.456 . . . . 1.6599999999999999 109.459 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -81.81 133.54 35.34 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.21 -1.171 . . . . 4.4500000000000002 109.616 -179.621 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.74 153.83 1.97 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.348 -0.845 . . . . 6.1900000000000004 109.207 -179.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.23 -175.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 121.175 1.25 . . . . 5.5800000000000001 109.918 179.334 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 CA-C-O 117.963 -1.465 . . . . 6.9000000000000004 109.541 -179.965 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.4 mptt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 109.143 -0.688 . . . . 7.3600000000000003 109.143 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' D' ' 321' ' ' LYS . 55.6 mttp 52.12 92.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.44 -0.787 . . . . 7.1500000000000004 110.202 179.556 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' D' ' 320' ' ' LYS . 34.8 mtpt 59.98 137.38 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 121.742 -0.599 . . . . 6.5 110.225 179.418 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -62.36 -153.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 120.976 1.117 . . . . 4.5 109.538 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.9 131.86 36.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.101 -0.999 . . . . 4.3200000000000003 109.184 179.66 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.16 -141.16 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 2.46 109.828 -179.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 173.59 32.67 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.945 -1.262 . . . . 0.96999999999999997 109.945 -179.624 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.95 135.28 57.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.42 -1.047 . . . . 1.6699999999999999 109.687 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.81 155.26 16.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.267 -0.895 . . . . 0.60999999999999999 109.676 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.89 139.86 34.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.276 -0.89 . . . . 0.56000000000000005 109.045 179.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.1 p -96.38 163.83 12.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.321 -0.862 . . . . 0.42999999999999999 108.856 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.7 tp -149.65 134.97 18.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.07 -1.019 . . . . 0.34999999999999998 110.023 -179.389 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -85.06 127.61 34.29 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.851 -0.796 . . . . 1.3700000000000001 108.851 179.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.0 mt -123.4 111.14 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.554 -0.716 . . . . 0.47999999999999998 109.219 -179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -74.91 147.53 40.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.512 -0.743 . . . . 2.0800000000000001 110.192 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.21 135.96 4.14 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.505 -1.038 . . . . 0.40000000000000002 110.505 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.19 -38.44 31.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.6400000000000001 108.885 179.331 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' D' ' 336' ' ' GLU . 9.9 mp0 -59.27 -46.84 87.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.315 -0.866 . . . . 2.2200000000000002 109.186 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.89 -39.93 93.66 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.475 -0.766 . . . . 2.7400000000000002 109.579 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.0 -53.42 55.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.433 -0.792 . . . . 0.42999999999999999 109.643 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.21 -42.6 66.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.427 -0.795 . . . . 1.6899999999999999 109.75 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -62.98 -50.5 70.53 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.42999999999999999 110.236 -179.245 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.17 -46.0 92.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.069 -1.019 . . . . 0.27000000000000002 108.967 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -51.87 -42.77 62.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.286 -0.884 . . . . 2.4500000000000002 109.406 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -61.03 -45.24 95.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 1.75 109.935 -179.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.5 -43.42 98.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 0.31 109.258 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -59.26 -51.01 71.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.22 109.533 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -63.02 -42.53 99.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 1.73 109.908 -179.701 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.98 -51.37 69.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.28000000000000003 109.807 -179.646 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.28 -45.6 92.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.31 109.35 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.65 -34.43 72.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.266 179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.504 HD11 HE22 ' C' ' 354' ' ' GLN . 51.2 tp -63.91 -48.72 75.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 109.374 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -62.57 -43.68 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.356 -0.84 . . . . 1.5700000000000001 109.131 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.15 -32.44 64.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.652 -0.655 . . . . 1.4399999999999999 109.442 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -44.06 78.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.64000000000000001 109.756 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.511 HE22 HD11 ' C' ' 350' ' ' LEU . 57.1 mt-30 -80.99 -1.28 43.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.886 . . . . 1.21 109.604 -179.848 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.11 8.66 0.52 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.211 -0.93 . . . . 1.22 109.136 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' D' ' 354' ' ' GLN . . . -85.14 -70.18 1.34 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.547 -1.421 . . . . 1.5 109.547 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -81.83 133.49 35.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.189 -1.183 . . . . 4.1799999999999997 109.658 -179.69 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -49.81 153.86 2.0 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.401 -0.812 . . . . 5.6699999999999999 109.259 -179.624 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -54.34 -175.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 121.2 1.267 . . . . 5.6500000000000004 109.868 179.491 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.943 -1.476 . . . . 7.2699999999999996 109.57 -179.921 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.3300000000000001 109.434 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.01 -121.7 1.92 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.249 -0.907 . . . . 7.21 109.26 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 323' ' ' LEU . 33.5 ttpt 52.57 72.09 1.27 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.187 -0.946 . . . . 6.4699999999999998 109.329 179.825 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -62.86 5.7 0.26 Allowed 'Trans proline' 0 C--N 1.317 -1.113 0 C-N-CA 121.519 1.479 . . . . 4.5300000000000002 110.167 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.8 mt -81.4 41.43 0.62 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.223 -0.923 . . . . 4.3499999999999996 109.218 179.704 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.41 -129.79 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.73 -0.606 . . . . 2.48 109.983 -179.415 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.11 156.9 52.77 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.037 -1.225 . . . . 0.97999999999999998 110.037 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.08 136.33 57.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -1.044 . . . . 1.7 109.573 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -94.44 153.14 18.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 0.60999999999999999 109.602 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -135.91 -169.52 2.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.362 -0.836 . . . . 0.57999999999999996 109.397 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.7 p -152.21 146.88 25.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.41999999999999998 108.73 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -141.18 135.29 30.64 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.35999999999999999 109.69 -178.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.68 130.31 34.6 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.839 -0.801 . . . . 1.3700000000000001 108.839 179.214 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.54 118.8 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.555 -0.716 . . . . 0.46999999999999997 109.465 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.17 152.84 36.56 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 2.1000000000000001 110.076 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.09 136.29 1.2 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.476 -1.05 . . . . 0.41999999999999998 110.476 179.028 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.83 -41.5 20.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -1.042 . . . . 2.6800000000000002 108.937 179.245 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.56 -45.7 88.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.304 -0.872 . . . . 2.2200000000000002 108.658 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -62.67 -41.09 98.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.506 -0.746 . . . . 2.77 109.12 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.68 -56.37 21.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.535 -0.728 . . . . 0.42999999999999999 109.545 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.97 -36.9 51.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.315 -0.866 . . . . 1.6599999999999999 109.464 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.97 -53.58 51.79 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.402 -0.811 . . . . 0.44 109.883 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.72 -44.42 96.63 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.135 -0.978 . . . . 0.28999999999999998 108.901 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.69 -43.73 62.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.318 -0.864 . . . . 2.4399999999999999 109.225 179.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -60.19 -52.03 67.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.74 109.664 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.25 -36.28 77.41 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.186 -0.946 . . . . 0.29999999999999999 108.665 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.23 -56.83 17.18 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.439 -0.788 . . . . 1.22 109.298 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.58 -31.1 72.16 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.366 -0.834 . . . . 1.72 109.492 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.66 -54.06 51.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.82 . . . . 0.27000000000000002 109.909 -179.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.53 -46.56 89.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.166 -0.959 . . . . 0.28999999999999998 109.225 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.82 -35.2 72.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.367 -0.833 . . . . 1.9099999999999999 109.197 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.19 -46.93 81.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.326 -0.859 . . . . 0.40999999999999998 109.317 179.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.36 -39.78 94.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.393 -0.817 . . . . 1.5600000000000001 108.975 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.27 -33.98 65.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.45 179.763 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -52.57 35.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.66000000000000003 109.745 -179.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.02 1.73 26.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 1.1799999999999999 109.608 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.59 -82.39 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 1.23 109.349 179.917 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.5 77.5 0.9 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.563 -1.415 . . . . 1.54 109.563 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.34 141.71 29.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.25 -1.147 . . . . 4.1799999999999997 109.504 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.12 148.72 7.65 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 5.71 108.953 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.9 150.48 46.04 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 120.965 1.11 . . . . 5.6100000000000003 109.846 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 118.025 -1.431 . . . . 7.2400000000000002 109.59 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 42.2 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.468 -0.567 . . . . 7.3399999999999999 109.468 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.06 -121.76 1.93 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.282 -0.887 . . . . 7.1699999999999999 109.291 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 323' ' ' LEU . 33.5 ttpt 52.6 72.06 1.28 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.181 -0.949 . . . . 6.4400000000000004 109.297 179.773 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -62.84 5.67 0.26 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.568 1.512 . . . . 4.54 110.139 -179.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.7 mt -81.39 41.38 0.61 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.912 . . . . 4.3200000000000003 109.199 179.728 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.39 -130.05 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.58 -0.7 . . . . 2.4700000000000002 109.914 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.74 156.73 52.48 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.019 -1.233 . . . . 0.94999999999999996 110.019 -179.423 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -59.99 136.4 58.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -1.024 . . . . 1.6100000000000001 109.524 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -94.52 153.04 18.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.295 -0.878 . . . . 0.56999999999999995 109.598 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -135.76 -169.42 2.4 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.351 -0.843 . . . . 0.53000000000000003 109.314 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.7 p -152.31 146.83 25.69 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.32 -0.863 . . . . 0.38 108.723 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.1 135.23 30.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.372 -0.83 . . . . 0.35999999999999999 109.716 -178.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.67 130.37 34.58 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.766 -0.827 . . . . 1.3600000000000001 108.766 179.23 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.61 118.77 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.508 -0.745 . . . . 0.48999999999999999 109.352 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.19 152.79 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.548 -0.72 . . . . 2.1000000000000001 109.985 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.1 136.34 1.22 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.473 -1.051 . . . . 0.44 110.473 179.056 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.93 -41.4 20.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.437 -1.037 . . . . 2.7200000000000002 108.934 179.274 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.63 -45.66 88.76 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.642 -0.873 . . . . 2.21 108.642 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -62.81 -40.94 98.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.427 -0.796 . . . . 2.79 109.122 179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -55.67 -56.42 20.59 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.45000000000000001 109.534 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.89 -36.98 50.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 1.6799999999999999 109.509 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.4 ttp -62.93 -53.58 51.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.3 -0.875 . . . . 0.42999999999999999 109.929 -179.57 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.69 -44.53 96.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28000000000000003 108.925 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.59 -43.72 62.58 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.253 -0.904 . . . . 2.52 109.277 179.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.12 -52.12 66.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.84 . . . . 1.75 109.657 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.15 -36.35 77.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.244 -0.91 . . . . 0.31 108.719 179.749 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.94 15.72 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.423 -0.798 . . . . 1.21 109.248 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.51 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.486 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.569 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.61 -54.08 51.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.356 -0.84 . . . . 0.27000000000000002 109.951 -179.618 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.4 -46.6 89.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.173 -0.954 . . . . 0.29999999999999999 109.294 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.76 -35.24 72.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 1.9299999999999999 109.273 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.94 81.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.341 -0.849 . . . . 0.40000000000000002 109.3 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -62.36 -39.78 94.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 1.5900000000000001 109.018 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.33 -33.83 66.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.651 -0.655 . . . . 1.4299999999999999 109.447 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.83 -52.57 35.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.769 -179.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.06 1.71 26.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 1.1899999999999999 109.574 -179.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.55 -82.31 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.915 . . . . 1.22 109.427 179.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.57 77.58 0.91 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.42 -1.472 . . . . 1.53 109.42 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.48 141.7 28.91 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.289 -1.124 . . . . 4.21 109.461 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.05 148.74 7.42 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -0.9 . . . . 5.6799999999999997 108.995 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.92 150.51 46.01 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 120.973 1.115 . . . . 5.5700000000000003 109.87 179.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.986 -1.452 . . . . 7.2000000000000002 109.602 179.935 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.454 -0.573 . . . . 8.9600000000000009 109.454 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 52.91 -121.71 1.92 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -0.949 . . . . 8.1500000000000004 109.267 -179.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' C' ' 323' ' ' LEU . 33.5 ttpt 52.58 72.08 1.28 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.115 -0.99 . . . . 7.1500000000000004 109.383 179.865 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -62.89 5.62 0.27 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.497 1.465 . . . . 4.3499999999999996 110.198 -179.495 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.8 mt -81.36 41.54 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 4.6299999999999999 109.222 179.716 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -78.5 -129.87 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.704 -0.622 . . . . 2.8500000000000001 109.961 -179.441 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 156.73 52.65 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 110.031 -1.228 . . . . 1.1200000000000001 110.031 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.98 136.4 58.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -1.044 . . . . 2.1099999999999999 109.63 179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.39 153.03 18.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.262 -0.898 . . . . 0.64000000000000001 109.633 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -135.87 -169.43 2.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.344 -0.848 . . . . 0.48999999999999999 109.341 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.0 p -152.24 146.87 25.76 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.68 -0.859 . . . . 0.46999999999999997 108.68 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.6 tp -141.13 135.2 30.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.283 -0.886 . . . . 0.41999999999999998 109.721 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.64 130.31 34.6 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.793 -0.818 . . . . 1.8100000000000001 108.793 179.229 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.8 mt -123.58 118.82 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.526 -0.734 . . . . 0.41999999999999998 109.418 -179.711 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -76.11 152.82 36.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.585 -0.697 . . . . 2.3500000000000001 110.078 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.0 136.37 1.18 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.468 -1.053 . . . . 0.40999999999999998 110.468 179.061 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -81.89 -41.47 20.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -1.045 . . . . 2.5899999999999999 108.89 179.322 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.67 -45.56 89.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 2.54 108.641 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -62.83 -41.02 99.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.4 -0.813 . . . . 3.3900000000000001 109.124 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.76 -56.29 22.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.481 -0.762 . . . . 0.46999999999999997 109.513 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.94 -36.97 51.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.481 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.89 -53.63 51.14 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.299 -0.876 . . . . 0.60999999999999999 109.876 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -44.41 96.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.168 -0.957 . . . . 0.33000000000000002 108.921 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.7 -43.67 62.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.239 -0.913 . . . . 3.2799999999999998 109.233 179.629 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.07 66.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 1.78 109.66 -179.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.26 -36.31 77.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 0.38 108.644 179.768 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.17 -56.91 16.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.408 -0.808 . . . . 1.2 109.232 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.57 -31.08 72.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.1200000000000001 109.446 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.62 -54.12 50.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 0.26000000000000001 109.918 -179.63 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.3 mt -61.44 -46.56 89.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.40000000000000002 109.24 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -58.86 -35.18 72.54 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 2.0899999999999999 109.262 179.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.18 -46.92 81.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 0.75 109.297 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.48 -39.68 94.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.377 -0.827 . . . . 2.1899999999999999 108.969 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.37 -33.83 66.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.559 -0.713 . . . . 1.3400000000000001 109.453 179.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.54 35.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.71999999999999997 109.787 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -80.09 1.74 26.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 1.8 109.61 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.49 -82.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.257 -0.902 . . . . 1.3899999999999999 109.435 179.862 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.41 77.49 0.89 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.507 -1.437 . . . . 1.6599999999999999 109.507 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -86.41 141.72 28.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.258 -1.142 . . . . 4.4500000000000002 109.511 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.14 148.66 7.8 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 6.1900000000000004 108.985 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.79 150.42 45.37 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 120.967 1.111 . . . . 5.5800000000000001 109.914 179.486 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.973 -1.459 . . . . 6.9000000000000004 109.557 179.906 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 42.3 mttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.501 -0.555 . . . . 7.3600000000000003 109.501 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 53.08 -121.84 1.94 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.929 . . . . 7.1500000000000004 109.204 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' D' ' 323' ' ' LEU . 33.6 ttpt 52.71 71.99 1.3 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.156 -0.965 . . . . 6.5 109.366 179.857 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -62.86 5.68 0.26 Allowed 'Trans proline' 0 C--N 1.316 -1.136 0 C-N-CA 121.516 1.477 . . . . 4.5 110.194 -179.51 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.8 mt -81.37 41.49 0.62 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 4.3200000000000003 109.225 179.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -78.43 -129.9 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.632 -0.668 . . . . 2.46 109.961 -179.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.93 156.96 52.58 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.973 -1.251 . . . . 0.96999999999999997 109.973 -179.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.06 136.33 57.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -1.065 . . . . 1.6699999999999999 109.561 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.47 153.1 18.09 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.286 -0.884 . . . . 0.60999999999999999 109.557 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -135.91 -169.48 2.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.385 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.9 p -152.22 146.89 25.79 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 108.671 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.3 tp -141.18 135.24 30.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.271 -0.893 . . . . 0.34999999999999998 109.73 -178.753 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -85.57 130.36 34.59 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.797 -0.816 . . . . 1.3700000000000001 108.797 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -123.61 118.85 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.449 -0.782 . . . . 0.47999999999999998 109.407 -179.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -76.25 152.8 36.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.553 -0.717 . . . . 2.0800000000000001 110.034 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.08 136.37 1.21 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.498 -1.041 . . . . 0.40000000000000002 110.498 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -81.86 -41.49 20.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.398 -1.06 . . . . 2.6400000000000001 108.886 179.344 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.62 -45.57 88.92 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 108.71 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -62.85 -40.97 99.09 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.456 -0.778 . . . . 2.7400000000000002 109.078 179.63 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.71 -56.41 20.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.488 -0.757 . . . . 0.42999999999999999 109.471 179.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -51.87 -36.99 50.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.236 -0.915 . . . . 1.6899999999999999 109.517 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.3 ttp -62.9 -53.54 52.49 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.275 -0.891 . . . . 0.42999999999999999 109.936 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.78 -44.45 96.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 108.854 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -51.61 -43.76 62.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.26 -0.9 . . . . 2.4500000000000002 109.235 179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.19 -52.09 66.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.312 -0.867 . . . . 1.75 109.665 -179.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.17 -36.37 77.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.91 . . . . 0.31 108.671 179.697 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.18 -56.81 17.43 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.445 -0.784 . . . . 1.22 109.323 179.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.66 -31.02 72.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.365 -0.834 . . . . 1.73 109.499 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -54.15 50.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.28000000000000003 109.95 -179.71 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.5 -46.57 89.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.143 -0.973 . . . . 0.31 109.258 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -58.74 -35.24 72.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.308 -0.87 . . . . 1.9099999999999999 109.257 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.14 -46.97 81.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.42999999999999999 109.339 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -62.39 -39.7 94.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.359 -0.838 . . . . 1.5700000000000001 108.991 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.39 -33.89 66.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.572 -0.705 . . . . 1.4399999999999999 109.367 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.81 -52.6 35.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 0.64000000000000001 109.722 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.03 1.64 26.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -0.823 . . . . 1.21 109.565 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.43 -82.44 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.271 -0.893 . . . . 1.22 109.415 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.49 77.6 0.89 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.484 -1.447 . . . . 1.5 109.484 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -86.44 141.65 28.97 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.176 -1.191 . . . . 4.1799999999999997 109.48 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.01 148.63 7.45 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.947 . . . . 5.6699999999999999 109.041 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.78 150.46 45.06 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.949 1.099 . . . . 5.6500000000000004 109.899 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.412 0 CA-C-O 118.025 -1.43 . . . . 7.2699999999999996 109.607 179.923 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 41.0 mttm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.25 -0.648 . . . . 7.3300000000000001 109.25 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 321' ' ' LYS . 6.7 tptm 62.01 140.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 7.21 109.657 179.723 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 320' ' ' LYS . 45.8 pttt 35.41 62.6 2.39 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 122.029 -0.419 . . . . 6.4699999999999998 111.033 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.86 105.9 1.03 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.446 1.431 . . . . 4.5300000000000002 109.72 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.6 101.48 10.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.939 . . . . 4.3499999999999996 109.605 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.14 -164.83 0.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 2.48 109.423 179.658 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.53 -174.35 11.8 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.888 -1.285 . . . . 0.97999999999999998 109.888 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.72 135.66 57.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.34 -1.094 . . . . 1.7 109.644 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.78 159.57 14.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.23 -0.919 . . . . 0.60999999999999999 109.568 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -139.56 -171.62 3.18 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.415 -0.803 . . . . 0.57999999999999996 109.309 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 64.6 p -150.64 148.78 29.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.224 -0.922 . . . . 0.41999999999999998 108.58 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.08 135.6 29.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 0.35999999999999999 109.803 -178.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.63 130.82 34.67 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.547 -0.909 . . . . 1.3700000000000001 108.547 178.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -123.39 111.86 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.503 -0.748 . . . . 0.46999999999999997 109.072 -179.516 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.87 146.47 44.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 2.1000000000000001 110.068 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 135.64 5.87 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.792 -1.323 . . . . 0.41999999999999998 109.792 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.07 -49.05 10.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.254 -1.145 . . . . 2.6800000000000002 109.642 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.29 -40.56 78.05 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.131 -0.981 . . . . 2.2200000000000002 109.154 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -64.16 -41.65 97.06 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.2 -0.938 . . . . 2.77 109.306 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -55.05 -56.34 20.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.564 -0.71 . . . . 0.42999999999999999 109.943 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.49 -37.02 46.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -0.904 . . . . 1.6599999999999999 109.849 -179.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.23 -52.04 63.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.232 -0.917 . . . . 0.44 110.207 -179.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.34 -44.06 97.82 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.128 -0.983 . . . . 0.28999999999999998 109.044 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.39 -43.78 62.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.308 -0.87 . . . . 2.4399999999999999 109.205 179.52 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.56 -46.55 89.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 1.74 109.77 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.11 -42.6 98.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.29999999999999999 109.131 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.23 -52.58 64.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.27 -0.893 . . . . 1.22 109.389 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.71 -35.94 79.48 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.356 -0.84 . . . . 1.72 109.693 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.07 -51.57 69.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.243 -0.911 . . . . 0.27000000000000002 109.629 -179.772 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.53 -46.35 90.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.28999999999999998 109.344 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.27 -35.5 73.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.408 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.33 -52.18 59.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.316 -0.865 . . . . 0.40999999999999998 109.469 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -63.28 -46.73 85.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.412 -0.805 . . . . 1.5600000000000001 109.102 179.787 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.546 -0.721 . . . . 1.4299999999999999 109.786 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.23 78.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.159 -0.963 . . . . 0.66000000000000003 109.743 -179.702 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.21 -2.92 53.91 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 1.1799999999999999 109.771 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.1 62.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.138 -0.976 . . . . 1.23 109.523 -179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 45.83 3.58 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.338 -1.505 . . . . 1.54 109.338 179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.26 64.78 8.48 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -1.159 . . . . 4.1799999999999997 109.536 -179.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -51.32 153.5 3.54 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.345 -0.847 . . . . 5.71 108.88 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.7 144.3 93.34 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 120.974 1.116 . . . . 5.6100000000000003 109.902 179.59 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 117.958 -1.468 . . . . 7.2400000000000002 109.606 179.893 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' B' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.288 -0.634 . . . . 7.3399999999999999 109.288 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' B' ' 321' ' ' LYS . 6.8 tptm 61.96 140.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 7.1699999999999999 109.689 179.72 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' B' ' 320' ' ' LYS . 45.8 pttt 35.43 62.67 2.39 Favored Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 122.084 -0.385 . . . . 6.4400000000000004 111.021 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.97 105.88 1.05 Allowed 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.438 1.425 . . . . 4.54 109.703 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.53 101.4 9.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 4.3200000000000003 109.682 179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.04 -164.43 0.74 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.362 -0.836 . . . . 2.4700000000000002 109.433 179.711 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.06 -174.04 13.25 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.885 -1.286 . . . . 0.94999999999999996 109.885 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -60.87 135.62 57.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.336 -1.096 . . . . 1.6100000000000001 109.613 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -94.81 159.35 15.09 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.908 . . . . 0.56999999999999995 109.57 179.884 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -139.37 -171.57 3.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.53000000000000003 109.246 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 64.4 p -150.53 148.87 29.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.588 -0.894 . . . . 0.38 108.588 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.9 tp -142.2 135.58 29.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.273 -0.892 . . . . 0.35999999999999999 109.773 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.61 130.8 34.68 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.537 -0.912 . . . . 1.3600000000000001 108.537 178.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -123.42 111.87 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.535 -0.728 . . . . 0.48999999999999999 109.132 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.91 146.56 43.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.603 -0.686 . . . . 2.1000000000000001 110.019 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 135.59 5.81 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.04 -49.03 10.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.333 -1.098 . . . . 2.7200000000000002 109.71 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.25 -40.57 77.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 2.21 109.19 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.2 -41.59 97.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.266 -0.896 . . . . 2.79 109.351 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -55.06 -56.35 20.77 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.45000000000000001 109.944 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.42 -37.04 46.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.6799999999999999 109.911 -179.704 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.97 63.93 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.217 -0.927 . . . . 0.42999999999999999 110.193 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.43 -43.94 97.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.187 -0.945 . . . . 0.28000000000000003 109.055 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.48 -43.75 62.25 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.312 -0.867 . . . . 2.52 109.196 179.493 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.55 -46.59 89.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 1.75 109.708 -179.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.19 -42.5 98.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 0.31 109.15 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.25 -52.58 64.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.248 -0.908 . . . . 1.21 109.361 179.602 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.77 -35.87 79.4 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 1.6899999999999999 109.692 -179.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.16 -51.47 69.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.25 -0.906 . . . . 0.27000000000000002 109.651 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.61 -46.0 91.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.215 -0.928 . . . . 0.29999999999999999 109.328 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -35.45 74.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.288 -0.883 . . . . 1.9299999999999999 109.425 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.27 -52.09 60.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.355 -0.841 . . . . 0.40000000000000002 109.399 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -63.45 -46.81 84.55 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.386 -0.822 . . . . 1.5900000000000001 109.169 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.94 -36.53 74.93 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.547 -0.72 . . . . 1.4299999999999999 109.806 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -45.29 78.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.155 -0.965 . . . . 0.65000000000000002 109.743 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.12 -3.08 54.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 1.1899999999999999 109.793 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -24.13 62.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.96 . . . . 1.22 109.582 -179.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.02 45.93 3.6 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.363 -1.495 . . . . 1.53 109.363 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.28 64.68 8.41 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.224 -1.162 . . . . 4.21 109.536 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -51.2 153.46 3.37 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.373 -0.829 . . . . 5.6799999999999997 108.868 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.6 144.29 92.91 Favored 'Trans proline' 0 C--N 1.323 -0.806 0 C-N-CA 121.023 1.149 . . . . 5.5700000000000003 109.906 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 118.019 -1.434 . . . . 7.2000000000000002 109.577 179.832 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.27 -0.641 . . . . 8.9600000000000009 109.27 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' C' ' 321' ' ' LYS . 6.7 tptm 61.96 140.15 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.409 -0.807 . . . . 8.1500000000000004 109.701 179.665 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' C' ' 320' ' ' LYS . 45.7 pttt 35.39 62.68 2.37 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 122.119 -0.363 . . . . 7.1500000000000004 111.036 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.91 105.81 1.03 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.436 1.424 . . . . 4.3499999999999996 109.768 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.51 101.4 9.91 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 4.6299999999999999 109.645 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.04 -164.65 0.77 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 2.8500000000000001 109.384 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.74 -174.23 12.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.894 -1.283 . . . . 1.1200000000000001 109.894 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 135.65 57.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -1.103 . . . . 2.1099999999999999 109.662 179.921 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -94.73 159.32 15.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.869 . . . . 0.64000000000000001 109.698 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -139.36 -171.59 3.16 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.407 -0.808 . . . . 0.48999999999999999 109.273 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.59 148.68 28.94 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.665 -0.865 . . . . 0.46999999999999997 108.665 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.0 tp -142.04 135.61 29.39 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.379 -0.825 . . . . 0.41999999999999998 109.764 -178.622 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.65 130.73 34.68 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.561 -0.903 . . . . 1.8100000000000001 108.561 178.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.4 111.85 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 109.099 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.85 146.53 44.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.575 -0.703 . . . . 2.3500000000000001 110.089 -179.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.68 135.85 5.91 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.769 -1.333 . . . . 0.40999999999999998 109.769 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -82.33 -49.03 10.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 2.5899999999999999 109.636 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.28 -40.54 77.98 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.15 -0.969 . . . . 2.54 109.159 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -64.22 -41.64 96.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.197 -0.94 . . . . 3.3900000000000001 109.338 179.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.02 -56.43 19.89 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.574 -0.704 . . . . 0.46999999999999997 109.893 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.35 -37.1 46.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 1.6599999999999999 109.875 -179.658 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -63.28 -51.98 63.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.60999999999999999 110.164 -179.299 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.39 -44.02 97.87 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.144 -0.972 . . . . 0.33000000000000002 109.025 -179.734 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -51.4 -43.79 62.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.297 -0.877 . . . . 3.2799999999999998 109.248 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.52 -46.58 89.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.78 109.749 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.22 -42.5 98.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 0.38 109.121 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -58.29 -52.57 65.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.2 109.305 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -61.77 -35.84 79.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.363 -0.836 . . . . 2.1200000000000001 109.713 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.14 -51.55 69.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.26000000000000001 109.642 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.46 -46.0 91.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.40000000000000002 109.387 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.67 -35.45 74.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 2.0899999999999999 109.415 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.3 -52.06 60.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.391 -0.818 . . . . 0.75 109.454 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -63.37 -46.95 84.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.435 -0.79 . . . . 2.1899999999999999 109.135 179.704 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.89 -36.49 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.488 -0.758 . . . . 1.3400000000000001 109.813 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -45.27 78.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.71999999999999997 109.741 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.25 -2.95 54.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.289 -0.882 . . . . 1.8 109.717 -179.769 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.04 62.68 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 1.3899999999999999 109.603 -179.914 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 45.84 3.58 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.386 -1.486 . . . . 1.6599999999999999 109.386 179.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.28 64.78 8.47 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -1.137 . . . . 4.4500000000000002 109.484 -179.797 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -51.36 153.52 3.58 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.356 -0.84 . . . . 6.1900000000000004 108.84 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -57.68 144.31 93.2 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 121.005 1.137 . . . . 5.5800000000000001 109.901 179.557 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 118.0 -1.444 . . . . 6.9000000000000004 109.591 179.878 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' D' ' 320' ' ' LYS . 41.1 mttm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.234 -0.654 . . . . 7.3600000000000003 109.234 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' D' ' 321' ' ' LYS . 6.7 tptm 61.93 140.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.395 -0.816 . . . . 7.1500000000000004 109.724 179.724 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' D' ' 320' ' ' LYS . 45.7 pttt 35.43 62.65 2.39 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 122.067 -0.396 . . . . 6.5 111.029 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -66.96 105.9 1.05 Allowed 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.435 1.424 . . . . 4.5 109.704 -179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -81.58 101.44 9.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.236 -0.915 . . . . 4.3200000000000003 109.652 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.02 -164.65 0.77 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.37 -0.831 . . . . 2.46 109.452 179.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.8 -174.21 12.63 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.894 -1.282 . . . . 0.96999999999999997 109.894 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -60.75 135.61 57.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 1.6699999999999999 109.681 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -94.72 159.46 15.05 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.269 -0.894 . . . . 0.60999999999999999 109.621 179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -139.47 -171.54 3.16 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.56000000000000005 109.211 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 64.7 p -150.62 148.64 28.87 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.656 -0.868 . . . . 0.42999999999999999 108.656 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.98 135.64 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.333 -0.854 . . . . 0.34999999999999998 109.749 -178.598 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -84.64 130.77 34.67 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.559 -0.904 . . . . 1.3700000000000001 108.559 178.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.38 111.87 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.471 -0.768 . . . . 0.47999999999999998 109.101 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -73.95 146.55 43.83 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.578 -0.701 . . . . 2.0800000000000001 110.015 -179.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.65 135.56 5.79 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.776 -1.329 . . . . 0.40000000000000002 109.776 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -81.96 -49.12 10.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -1.099 . . . . 2.6400000000000001 109.687 -179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.23 -40.5 77.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.102 -0.999 . . . . 2.2200000000000002 109.186 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.33 -41.55 96.75 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.233 -0.917 . . . . 2.7400000000000002 109.316 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.03 -56.39 20.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.578 -0.701 . . . . 0.42999999999999999 109.91 -179.745 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -51.44 -37.07 46.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 1.6899999999999999 109.829 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -63.26 -51.95 64.07 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.208 -0.932 . . . . 0.42999999999999999 110.234 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.37 -44.01 97.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -0.949 . . . . 0.27000000000000002 109.084 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -51.4 -43.77 62.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.256 -0.903 . . . . 2.4500000000000002 109.241 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.56 -46.6 89.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.356 -0.84 . . . . 1.75 109.705 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.08 -42.67 98.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.31 109.104 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.24 -52.59 64.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.895 . . . . 1.22 109.371 179.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -61.72 -35.85 79.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.73 109.689 -179.846 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -51.51 69.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.89 . . . . 0.28000000000000003 109.65 -179.775 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.51 -46.37 90.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.26 -0.9 . . . . 0.31 109.335 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.21 -35.59 73.89 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.432 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.31 -52.14 59.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.822 . . . . 0.42999999999999999 109.497 -179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' CB ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -63.3 -46.76 85.21 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.386 -0.821 . . . . 1.5700000000000001 109.089 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.02 -36.61 75.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.561 -0.712 . . . . 1.4399999999999999 109.772 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -45.23 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 0.64000000000000001 109.719 -179.646 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -82.15 -3.02 54.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.322 -0.861 . . . . 1.21 109.792 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.11 62.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.092 -1.005 . . . . 1.22 109.596 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.01 45.81 3.58 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.409 -1.476 . . . . 1.5 109.409 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -87.2 64.7 8.48 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.217 -1.167 . . . . 4.1799999999999997 109.519 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -51.24 153.46 3.44 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 5.6699999999999999 108.869 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.64 144.28 93.1 Favored 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 120.945 1.096 . . . . 5.6500000000000004 109.944 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 CA-C-O 118.002 -1.443 . . . . 7.2699999999999996 109.592 179.865 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.55 ' O ' ' N ' ' A' ' 321' ' ' LYS . 63.5 mttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.496 -0.557 . . . . 7.3300000000000001 109.496 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 320' ' ' LYS . 3.9 mptp? 55.07 -80.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.681 . . . . 7.21 109.976 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' A' ' 319' ' ' LYS . 28.9 mtpt 56.85 103.55 0.03 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.417 -0.802 . . . . 6.4699999999999998 109.432 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.54 -152.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 120.854 1.036 . . . . 4.5300000000000002 110.15 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.6 mm? -78.41 110.46 13.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.926 . . . . 4.3499999999999996 109.504 -179.808 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.88 -115.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.561 -0.712 . . . . 2.48 109.248 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 155.22 53.58 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.385 -1.486 . . . . 0.97999999999999998 109.385 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.92 134.97 57.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.239 -1.153 . . . . 1.7 109.538 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.32 155.23 17.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.509 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.97 -171.29 2.98 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.443 -0.786 . . . . 0.57999999999999996 109.443 -179.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.75 148.65 28.14 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.365 -0.834 . . . . 0.41999999999999998 108.819 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 63.0 tp -141.2 133.79 28.55 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.302 -0.874 . . . . 0.35999999999999999 109.817 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.8 127.48 34.15 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.56 -0.904 . . . . 1.3700000000000001 108.56 179.266 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.9 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.459 -0.776 . . . . 0.46999999999999997 109.444 -179.465 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.411 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -75.65 151.2 37.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 2.1000000000000001 109.685 179.759 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.45 131.92 3.98 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.121 -1.192 . . . . 0.41999999999999998 110.121 179.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.02 -48.61 12.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.381 -1.07 . . . . 2.6800000000000002 109.189 179.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.37 -43.32 88.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 108.974 179.797 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.51 -42.21 98.5 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.478 -0.764 . . . . 2.77 109.189 179.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.44 -55.67 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.611 -0.681 . . . . 0.42999999999999999 109.727 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.84 -36.62 48.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.319 -0.863 . . . . 1.6599999999999999 109.947 -179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.23 67.44 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.221 -0.924 . . . . 0.44 110.237 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.08 -43.71 98.47 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.078 -1.014 . . . . 0.28999999999999998 108.95 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.37 -45.4 62.42 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.346 -0.846 . . . . 2.4399999999999999 109.514 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.58 -45.33 94.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.265 -0.897 . . . . 1.74 109.952 -179.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.26 -43.72 98.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.127 -0.983 . . . . 0.29999999999999999 109.428 -179.83 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.437 ' O ' ' OE2' ' A' ' 349' ' ' GLU . 40.3 t30 -58.98 -50.13 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.904 . . . . 1.22 109.534 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.93 -34.3 74.5 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.267 -0.896 . . . . 1.72 109.912 -179.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.12 -48.6 81.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.27000000000000002 109.953 -179.647 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.96 -47.15 86.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.941 . . . . 0.28999999999999998 109.552 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 349' ' ' GLU . 0.1 OUTLIER -55.41 -39.07 69.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.09 -1.006 . . . . 1.9099999999999999 109.6 179.93 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.3 tt -63.46 -41.77 98.63 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.089 -1.078 . . . . 0.40999999999999998 108.089 179.519 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.75 -46.41 89.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 1.5600000000000001 108.465 179.122 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.34 -29.0 63.63 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.248 0.547 . . . . 1.4299999999999999 109.778 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.64 88.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.2 -0.938 . . . . 0.66000000000000003 109.567 -179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' HD11 ' B' ' 350' ' ' LEU . 26.5 mt-30 -82.03 -5.8 58.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 1.1799999999999999 109.643 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -70.64 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.262 -0.899 . . . . 1.23 109.531 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.71 80.39 0.06 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 1.54 109.579 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 355' ' ' ALA . 34.1 ttpt -85.93 129.3 34.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.191 -1.182 . . . . 4.1799999999999997 109.442 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.38 153.03 3.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 5.71 109.054 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.96 141.72 85.82 Favored 'Trans proline' 0 C--O 1.215 -0.674 0 C-N-CA 120.999 1.133 . . . . 5.6100000000000003 109.89 179.538 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.452 -1.459 . . . . 7.2400000000000002 109.452 179.882 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' B' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.42 -0.585 . . . . 7.3399999999999999 109.42 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' B' ' 320' ' ' LYS . 3.9 mptp? 55.04 -80.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.585 -0.697 . . . . 7.1699999999999999 109.964 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' B' ' 319' ' ' LYS . 29.0 mtpt 56.84 103.6 0.03 OUTLIER Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.319 -0.863 . . . . 6.4400000000000004 109.388 -179.662 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.54 -152.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 120.807 1.005 . . . . 4.54 110.132 -179.507 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 3.6 mm? -78.37 110.51 13.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 4.3200000000000003 109.495 -179.803 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.9 -115.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.534 -0.729 . . . . 2.4700000000000002 109.209 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 155.19 53.59 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.387 -1.485 . . . . 0.94999999999999996 109.387 179.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.97 134.98 57.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -1.147 . . . . 1.6100000000000001 109.522 -179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -93.25 155.05 17.67 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.56999999999999995 109.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -137.85 -171.25 2.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.333 -0.854 . . . . 0.53000000000000003 109.434 -179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.76 148.69 28.19 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.331 -0.856 . . . . 0.38 108.836 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -141.19 133.72 28.47 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.307 -0.87 . . . . 0.35999999999999999 109.881 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.76 127.44 34.12 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.617 -0.883 . . . . 1.3600000000000001 108.617 179.219 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.98 114.97 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.501 -0.749 . . . . 0.48999999999999999 109.424 -179.479 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -75.62 151.17 37.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.427 -0.796 . . . . 2.1000000000000001 109.725 179.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.48 131.93 4.0 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.15 -1.18 . . . . 0.44 110.15 179.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -80.98 -48.69 11.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.324 -1.104 . . . . 2.7200000000000002 109.163 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.27 -43.36 87.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.095 -1.003 . . . . 2.21 109.023 179.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -63.57 -42.18 98.35 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.365 -0.835 . . . . 2.79 109.201 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -55.4 -55.59 29.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.628 -0.67 . . . . 0.45000000000000001 109.765 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -51.96 -36.59 50.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.266 -0.896 . . . . 1.6799999999999999 109.907 -179.561 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.1 -51.24 67.36 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.219 -0.926 . . . . 0.42999999999999999 110.156 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.06 -43.65 98.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.125 -0.985 . . . . 0.28000000000000003 109.055 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.49 -45.19 62.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.345 -0.847 . . . . 2.52 109.55 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.78 -45.21 95.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.872 . . . . 1.75 109.908 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.32 -43.59 98.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.191 -0.943 . . . . 0.31 109.493 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.439 ' O ' ' OE2' ' B' ' 349' ' ' GLU . 40.3 t30 -59.11 -50.08 75.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 1.21 109.475 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.97 -34.35 74.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.158 -0.964 . . . . 1.6899999999999999 109.843 -179.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.05 -48.73 80.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.19 -0.944 . . . . 0.27000000000000002 109.942 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.77 -47.19 86.29 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.61 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' B' ' 349' ' ' GLU . 0.1 OUTLIER -55.47 -39.02 69.86 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 1.9299999999999999 109.547 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.559 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.3 tt -63.48 -41.81 98.58 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.031 -1.1 . . . . 0.40000000000000002 108.031 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.18 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.537 -0.912 . . . . 1.5900000000000001 108.537 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.33 -29.12 63.69 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.284 0.564 . . . . 1.4299999999999999 109.757 179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.67 89.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.65000000000000002 109.592 -179.808 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' A' ' 350' ' ' LEU . 26.4 mt-30 -81.98 -5.86 58.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 1.1899999999999999 109.593 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -70.58 -87.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.22 109.61 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.76 80.43 0.06 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.596 -1.402 . . . . 1.53 109.596 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' B' ' 355' ' ' ALA . 34.1 ttpt -85.93 129.26 34.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.239 -1.154 . . . . 4.21 109.511 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.28 153.0 3.77 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 5.6799999999999997 109.086 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.87 141.63 85.23 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.073 1.182 . . . . 5.5700000000000003 109.948 179.428 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 118.019 -1.434 . . . . 7.2000000000000002 109.526 179.878 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' C' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.449 -0.574 . . . . 8.9600000000000009 109.449 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' C' ' 320' ' ' LYS . 3.9 mptp? 55.1 -80.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.481 -0.762 . . . . 8.1500000000000004 110.024 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' C' ' 319' ' ' LYS . 28.9 mtpt 56.91 103.41 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.391 -0.818 . . . . 7.1500000000000004 109.47 -179.772 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.36 -153.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 120.863 1.042 . . . . 4.3499999999999996 110.168 -179.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.6 mm? -78.39 110.46 13.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 4.6299999999999999 109.45 -179.83 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.87 -115.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.535 -0.728 . . . . 2.8500000000000001 109.246 179.733 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.94 155.24 53.56 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.333 -1.507 . . . . 1.1200000000000001 109.333 179.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -58.94 135.02 57.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -1.162 . . . . 2.1099999999999999 109.539 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -93.34 155.16 17.56 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.209 -0.932 . . . . 0.64000000000000001 109.489 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.87 -171.22 2.95 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.386 -0.821 . . . . 0.48999999999999999 109.418 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -151.83 148.52 27.93 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -0.879 . . . . 0.46999999999999997 108.884 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.15 133.85 28.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.268 -0.895 . . . . 0.41999999999999998 109.84 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.86 127.39 34.13 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.64 -0.874 . . . . 1.8100000000000001 108.64 179.279 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.86 114.89 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.489 -0.757 . . . . 0.41999999999999998 109.47 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.8 ttt-85 -75.72 151.23 37.69 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.519 -0.738 . . . . 2.3500000000000001 109.583 179.799 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.44 131.98 3.99 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.133 -1.187 . . . . 0.40999999999999998 110.133 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.04 -48.64 11.93 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.379 -1.071 . . . . 2.5899999999999999 109.236 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.36 -43.24 88.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 2.54 108.993 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.6 -42.2 98.27 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.332 -0.855 . . . . 3.3900000000000001 109.184 179.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -55.48 -55.53 30.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.636 -0.665 . . . . 0.46999999999999997 109.776 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.94 -36.65 49.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.6599999999999999 109.91 -179.575 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.99 -51.32 67.32 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.223 -0.923 . . . . 0.60999999999999999 110.184 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.08 -43.65 98.56 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 109.047 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.46 -45.28 62.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.227 -0.921 . . . . 3.2799999999999998 109.548 179.763 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.62 -45.31 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 1.78 109.924 -179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.32 -43.68 98.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.942 . . . . 0.38 109.42 -179.807 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.45 ' O ' ' OE2' ' C' ' 349' ' ' GLU . 40.5 t30 -59.05 -50.03 75.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 1.2 109.502 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.94 -34.35 74.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -0.926 . . . . 2.1200000000000001 109.872 -179.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.11 -48.61 80.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.187 -0.946 . . . . 0.26000000000000001 109.967 -179.638 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -47.07 86.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.219 -0.925 . . . . 0.40000000000000002 109.607 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' C' ' 349' ' ' GLU . 0.1 OUTLIER -55.56 -39.02 70.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.038 -1.039 . . . . 2.0899999999999999 109.531 179.974 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.558 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -63.44 -41.82 98.66 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.056 -1.09 . . . . 0.75 108.056 179.503 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.68 -46.4 89.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 2.1899999999999999 108.538 179.13 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -57.27 -29.07 63.53 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.304 0.573 . . . . 1.3400000000000001 109.832 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.57 89.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.71999999999999997 109.67 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.406 ' NE2' HD11 ' D' ' 350' ' ' LEU . 26.5 mt-30 -82.11 -5.81 58.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.326 -0.859 . . . . 1.8 109.56 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -70.6 -87.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 1.3899999999999999 109.585 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.71 80.44 0.06 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.614 -1.394 . . . . 1.6599999999999999 109.614 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' C' ' 355' ' ' ALA . 34.1 ttpt -85.97 129.27 34.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.212 -1.169 . . . . 4.4500000000000002 109.457 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -51.26 153.06 3.72 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 6.1900000000000004 109.083 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.94 141.68 85.73 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 121.125 1.217 . . . . 5.5800000000000001 109.905 179.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.527 179.852 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' D' ' 321' ' ' LYS . 63.6 mttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.474 -0.565 . . . . 7.3600000000000003 109.474 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' D' ' 320' ' ' LYS . 3.9 mptp? 55.08 -80.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.516 -0.74 . . . . 7.1500000000000004 110.011 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' D' ' 319' ' ' LYS . 28.8 mtpt 56.87 103.52 0.03 OUTLIER Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.348 -0.845 . . . . 6.5 109.434 -179.732 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.52 -152.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 120.789 0.993 . . . . 4.5 110.133 -179.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.458 HD22 ' N ' ' D' ' 323' ' ' LEU . 3.6 mm? -78.4 110.48 13.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 4.3200000000000003 109.457 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.93 -115.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.579 -0.701 . . . . 2.46 109.185 179.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 155.23 53.58 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.402 -1.479 . . . . 0.96999999999999997 109.402 179.759 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -59.01 134.98 57.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -1.172 . . . . 1.6699999999999999 109.527 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -93.22 155.15 17.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.3 -0.875 . . . . 0.60999999999999999 109.619 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.96 -171.36 2.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.42 -0.8 . . . . 0.56000000000000005 109.382 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.66 148.57 28.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.218 -0.926 . . . . 0.42999999999999999 108.882 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -141.13 133.92 28.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.266 -0.896 . . . . 0.34999999999999998 109.843 -178.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -84.93 127.39 34.15 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.584 -0.895 . . . . 1.3700000000000001 108.584 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 54.3 mt -123.87 114.88 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.543 -0.723 . . . . 0.47999999999999998 109.481 -179.449 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.8 ttt-85 -75.59 151.28 37.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.513 -0.742 . . . . 2.0800000000000001 109.72 179.717 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.37 131.91 3.94 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.142 -1.183 . . . . 0.40000000000000002 110.142 179.659 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -81.01 -48.55 12.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -1.098 . . . . 2.6400000000000001 109.235 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.4 -43.29 88.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.193 -0.942 . . . . 2.2200000000000002 109.017 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.418 -0.801 . . . . 2.7400000000000002 109.222 179.604 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.653 -0.654 . . . . 0.42999999999999999 109.785 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -51.78 -36.73 48.65 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.6899999999999999 109.955 -179.675 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -63.08 -51.18 67.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.23 -0.918 . . . . 0.42999999999999999 110.237 -179.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.15 -43.59 98.65 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.226 -0.922 . . . . 0.27000000000000002 109.034 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.47 -45.31 62.72 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.288 -0.883 . . . . 2.4500000000000002 109.444 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.66 -45.23 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 1.75 109.972 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.37 -43.65 98.5 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.955 . . . . 0.31 109.477 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.452 ' O ' ' OE2' ' D' ' 349' ' ' GLU . 40.3 t30 -59.01 -50.09 75.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.117 -0.989 . . . . 1.22 109.545 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.98 -34.37 74.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 1.73 109.826 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.13 -48.63 80.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.293 -0.879 . . . . 0.28000000000000003 109.94 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.74 -47.23 86.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.31 109.635 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' D' ' 349' ' ' GLU . 0.1 OUTLIER -55.39 -39.1 69.76 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.115 -0.991 . . . . 1.9099999999999999 109.614 179.961 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.556 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.3 tt -63.44 -41.8 98.67 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.077 -1.083 . . . . 0.42999999999999999 108.077 179.51 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.66 -46.39 89.16 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.502 -0.925 . . . . 1.5700000000000001 108.502 179.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.32 -29.15 63.7 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.266 0.555 . . . . 1.4399999999999999 109.721 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.64 89.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.235 -0.916 . . . . 0.64000000000000001 109.597 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.439 ' NE2' HD11 ' C' ' 350' ' ' LEU . 26.4 mt-30 -82.06 -5.86 58.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.237 -0.914 . . . . 1.21 109.567 -179.894 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -70.55 -87.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.281 -0.887 . . . . 1.22 109.539 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.73 80.52 0.06 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.605 -1.398 . . . . 1.5 109.605 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' D' ' 355' ' ' ALA . 34.1 ttpt -86.1 129.27 34.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -1.127 . . . . 4.1799999999999997 109.359 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.31 153.03 3.8 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.348 -0.845 . . . . 5.6699999999999999 109.087 -179.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.96 141.72 85.8 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.094 1.196 . . . . 5.6500000000000004 109.906 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.45 -1.46 . . . . 7.2699999999999996 109.45 179.891 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.428 -0.582 . . . . 7.3300000000000001 109.428 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.82 75.62 0.26 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.41 -0.806 . . . . 7.21 109.661 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 322' ' ' PRO . 7.6 mtmp? 56.15 82.08 0.25 Allowed Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.336 -0.853 . . . . 6.4699999999999998 110.051 179.448 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.4 Cg_exo -59.53 -146.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.782 0 C-N-CA 121.21 1.273 . . . . 4.5300000000000002 109.952 -179.687 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 mt -77.45 99.98 5.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.004 -1.06 . . . . 4.3499999999999996 109.226 -179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 327' ' ' TYR . 37.7 m-20 -81.22 159.26 24.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.458 -0.776 . . . . 2.48 109.649 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 166.03 46.68 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.389 -1.484 . . . . 0.97999999999999998 109.389 179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.33 139.7 56.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.269 -1.136 . . . . 1.7 109.507 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 324' ' ' ASP . 82.1 m-85 -95.46 150.0 20.78 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.273 -0.892 . . . . 0.60999999999999999 109.989 -179.775 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.05 137.55 32.99 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.453 -0.943 . . . . 0.57999999999999996 108.453 178.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 37.1 p -95.92 163.22 13.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.379 -0.825 . . . . 0.41999999999999998 109.326 -179.49 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.81 129.93 14.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.35999999999999999 110.092 -179.116 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.92 124.9 32.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.556 -0.905 . . . . 1.3700000000000001 108.556 179.382 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.1 117.02 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.496 -0.752 . . . . 0.46999999999999997 109.669 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.48 156.84 34.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.468 -0.77 . . . . 2.1000000000000001 109.881 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.8 136.99 3.19 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.332 -1.107 . . . . 0.41999999999999998 110.332 179.093 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.48 -47.01 12.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.353 -1.086 . . . . 2.6800000000000002 109.037 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.49 -45.19 89.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 2.2200000000000002 109.074 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.5 -44.06 96.37 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.386 -0.821 . . . . 2.77 109.281 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.2 -57.8 9.79 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.513 -0.742 . . . . 0.42999999999999999 109.537 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.1 -39.97 60.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.4 -0.812 . . . . 1.6599999999999999 109.802 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.37 -49.61 73.15 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.318 -0.864 . . . . 0.44 110.193 -179.403 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.41 97.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.28999999999999998 109.138 -179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.21 -42.76 61.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.186 -0.946 . . . . 2.4399999999999999 109.362 179.623 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.14 -44.62 97.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 1.74 109.859 -179.731 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.51 -44.11 97.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.29999999999999999 109.131 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.55 -52.76 64.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 1.22 109.535 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.49 -35.8 81.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 1.72 109.994 -179.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.34 65.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.27000000000000002 110.239 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.0 mt -61.53 -43.1 99.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.599 -179.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.19 -34.99 72.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.165 -0.96 . . . . 1.9099999999999999 109.514 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.66 -48.72 73.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.304 -0.873 . . . . 0.40999999999999998 109.695 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.44 -42.94 99.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.312 -0.868 . . . . 1.5600000000000001 108.97 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.451 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 50.6 m-20 -55.95 -32.85 64.22 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.419 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -54.3 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.372 -0.83 . . . . 0.66000000000000003 110.135 -179.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -81.23 -5.0 57.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 1.1799999999999999 110.224 -179.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.7 -16.1 62.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 1.23 109.338 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 32.31 3.7 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.63 -1.388 . . . . 1.54 109.63 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.89 90.68 8.41 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.143 -1.21 . . . . 4.1799999999999997 109.367 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.54 114.46 5.67 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 5.71 109.182 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.97 114.93 2.3 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 N-CA-C 109.993 -0.81 . . . . 5.6100000000000003 109.993 -179.719 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.455 -1.458 . . . . 7.2400000000000002 109.455 179.85 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.448 -0.575 . . . . 7.3399999999999999 109.448 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.87 75.54 0.27 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.411 -0.806 . . . . 7.1699999999999999 109.636 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 322' ' ' PRO . 7.6 mtmp? 56.28 81.99 0.25 Allowed Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.844 . . . . 6.4400000000000004 110.033 179.43 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' B' ' 321' ' ' LYS . 5.5 Cg_exo -59.42 -146.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.322 -0.825 0 C-N-CA 121.275 1.317 . . . . 4.54 109.901 -179.67 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.46 100.03 5.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.982 -1.074 . . . . 4.3200000000000003 109.192 -179.9 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.434 ' CB ' ' OH ' ' B' ' 327' ' ' TYR . 37.3 m-20 -81.21 159.22 24.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.496 -0.752 . . . . 2.4700000000000002 109.667 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 165.92 46.65 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.386 -1.486 . . . . 0.94999999999999996 109.386 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.21 139.73 56.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -1.213 . . . . 1.6100000000000001 109.492 -179.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.434 ' OH ' ' CB ' ' B' ' 324' ' ' ASP . 81.5 m-85 -95.43 149.92 20.87 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.56999999999999995 109.986 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.05 137.58 33.01 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.428 -0.953 . . . . 0.53000000000000003 108.428 178.773 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 37.2 p -95.78 163.28 13.24 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.311 -0.868 . . . . 0.38 109.312 -179.422 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.93 129.84 14.31 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.32 -0.862 . . . . 0.35999999999999999 110.093 -179.119 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.91 124.84 32.1 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.573 -0.899 . . . . 1.3600000000000001 108.573 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.02 117.14 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.529 -0.732 . . . . 0.48999999999999999 109.62 -179.362 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -75.65 156.96 34.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.833 . . . . 2.1000000000000001 109.796 179.838 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.88 3.16 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.311 -1.116 . . . . 0.44 110.311 179.096 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.4 -47.04 12.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.438 -1.036 . . . . 2.7200000000000002 109.056 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.44 -45.28 88.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 2.21 109.041 179.556 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 22.9 ttm180 -60.55 -43.87 96.74 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.356 -0.84 . . . . 2.79 109.257 179.746 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.33 -57.86 9.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.543 -0.723 . . . . 0.45000000000000001 109.484 -179.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.03 -39.96 60.32 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.344 -0.848 . . . . 1.6799999999999999 109.858 -179.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.5 -49.43 73.59 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.267 -0.896 . . . . 0.42999999999999999 110.19 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.28 -44.53 97.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.28000000000000003 109.065 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.1 -42.84 60.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.945 . . . . 2.52 109.382 179.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.06 -44.68 97.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 1.75 109.851 -179.718 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.45 -44.07 97.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.928 . . . . 0.31 109.112 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.67 -52.65 64.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 1.21 109.528 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.51 -35.89 81.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.926 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.27 -52.36 65.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.328 -0.858 . . . . 0.27000000000000002 110.16 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.4 -43.15 99.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.986 . . . . 0.29999999999999999 109.628 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.23 -35.09 73.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 1.9299999999999999 109.412 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -48.79 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 0.40000000000000002 109.691 -179.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.36 -42.91 99.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 1.5900000000000001 109.017 179.937 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -56.0 -32.75 64.25 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.607 -0.683 . . . . 1.4299999999999999 109.456 179.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.51 -54.21 18.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.65000000000000002 110.156 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.26 -5.08 57.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 1.1899999999999999 110.249 -179.185 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -16.15 62.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.908 -1.12 . . . . 1.22 109.381 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.69 32.44 3.69 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.588 -1.405 . . . . 1.53 109.588 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.97 90.64 8.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.195 -1.179 . . . . 4.21 109.398 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.4 114.3 5.4 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.168 -0.957 . . . . 5.6799999999999997 109.216 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.87 114.87 2.26 Favored 'Trans proline' 0 C--O 1.214 -0.683 0 N-CA-C 110.016 -0.802 . . . . 5.5700000000000003 110.016 -179.724 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.396 -1.482 . . . . 7.2000000000000002 109.396 179.883 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 89.2 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.454 -0.573 . . . . 8.9600000000000009 109.454 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 95.2 mttt 53.75 75.62 0.26 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.457 -0.777 . . . . 8.1500000000000004 109.686 -179.895 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' C' ' 322' ' ' PRO . 7.6 mtmp? 56.24 82.02 0.25 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.422 -0.799 . . . . 7.1500000000000004 110.06 179.431 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' C' ' 321' ' ' LYS . 5.4 Cg_exo -59.5 -146.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.246 1.298 . . . . 4.3499999999999996 109.87 -179.655 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -77.46 100.02 5.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.975 -1.078 . . . . 4.6299999999999999 109.192 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.439 ' CB ' ' OH ' ' C' ' 327' ' ' TYR . 37.5 m-20 -81.22 159.3 24.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.442 -0.786 . . . . 2.8500000000000001 109.629 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 165.9 46.85 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.459 -1.456 . . . . 1.1200000000000001 109.459 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.3 139.73 56.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -1.172 . . . . 2.1099999999999999 109.514 -179.867 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.439 ' OH ' ' CB ' ' C' ' 324' ' ' ASP . 82.2 m-85 -95.41 149.8 20.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.176 -0.952 . . . . 0.64000000000000001 110.061 -179.76 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -140.91 137.54 33.22 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.437 -0.949 . . . . 0.48999999999999999 108.437 178.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 37.5 p -95.69 163.28 13.25 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.335 -0.853 . . . . 0.46999999999999997 109.367 -179.509 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.92 129.94 14.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.953 . . . . 0.41999999999999998 110.027 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.95 124.8 32.08 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.641 -0.874 . . . . 1.8100000000000001 108.641 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.2 mt -124.05 117.13 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 121.558 -0.714 . . . . 0.41999999999999998 109.695 -179.391 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -75.63 156.92 34.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.77 . . . . 2.3500000000000001 109.817 179.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.82 136.87 3.17 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.346 -1.101 . . . . 0.40999999999999998 110.346 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.35 -47.08 12.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -1.032 . . . . 2.5899999999999999 109.036 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.51 -45.25 89.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.877 . . . . 2.54 108.966 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.451 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 22.9 ttm180 -60.57 -43.87 96.82 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.354 -0.841 . . . . 3.3900000000000001 109.276 179.729 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -54.34 -57.8 9.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.724 . . . . 0.46999999999999997 109.533 -179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.09 -39.94 60.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 109.796 -179.544 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.45 -49.53 73.3 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.21 -0.931 . . . . 0.60999999999999999 110.175 -179.345 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.23 -44.47 97.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.095 -1.003 . . . . 0.33000000000000002 109.099 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.24 -42.85 61.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.25 -0.906 . . . . 3.2799999999999998 109.358 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.97 -44.7 96.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.246 -0.909 . . . . 1.78 109.942 -179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.37 -44.2 97.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.38 109.096 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -58.63 -52.63 64.86 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.273 -0.892 . . . . 1.2 109.561 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.54 -35.87 81.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.381 -0.824 . . . . 2.1200000000000001 110.008 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.44 65.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.26000000000000001 110.214 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.5 -42.97 99.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.697 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.32 -34.98 72.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.0899999999999999 109.498 179.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.59 -48.83 73.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -0.877 . . . . 0.75 109.686 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.42 -42.88 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 108.966 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.534 -0.728 . . . . 1.3400000000000001 109.465 179.756 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.47 -54.24 18.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 0.71999999999999997 110.139 -179.615 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.22 -4.99 57.23 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.273 -0.892 . . . . 1.8 110.249 -179.197 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.73 -16.11 62.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.004 -1.06 . . . . 1.3899999999999999 109.403 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.64 32.35 3.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.583 -1.407 . . . . 1.6599999999999999 109.583 179.861 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.85 90.6 8.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.136 -1.214 . . . . 4.4500000000000002 109.41 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.51 114.28 5.44 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 109.169 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.79 114.9 2.27 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 N-CA-C 109.985 -0.814 . . . . 5.5800000000000001 109.985 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.382 -1.487 . . . . 6.9000000000000004 109.382 179.89 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 89.2 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.406 -0.59 . . . . 7.3600000000000003 109.406 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 53.76 75.6 0.26 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.424 -0.797 . . . . 7.1500000000000004 109.669 -179.863 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 322' ' ' PRO . 7.6 mtmp? 56.28 82.05 0.25 Allowed Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.351 -0.843 . . . . 6.5 110.006 179.395 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' D' ' 321' ' ' LYS . 5.4 Cg_exo -59.6 -146.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 121.371 1.381 . . . . 4.5 109.791 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.43 100.12 5.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.011 -1.055 . . . . 4.3200000000000003 109.14 -179.863 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.435 ' CB ' ' OH ' ' D' ' 327' ' ' TYR . 37.5 m-20 -81.24 159.24 24.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.457 -0.777 . . . . 2.46 109.662 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 166.04 46.32 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.394 -1.483 . . . . 0.96999999999999997 109.394 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.42 139.6 56.92 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -1.145 . . . . 1.6699999999999999 109.409 -179.867 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.435 ' OH ' ' CB ' ' D' ' 324' ' ' ASP . 82.2 m-85 -95.37 149.97 20.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.258 -0.901 . . . . 0.60999999999999999 109.976 -179.806 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -141.06 137.66 33.04 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.403 -0.962 . . . . 0.56000000000000005 108.403 178.782 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -95.87 163.09 13.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 0.42999999999999999 109.442 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.3 tp -148.8 129.92 14.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.34999999999999998 110.0 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -84.88 124.84 32.09 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.668 -0.864 . . . . 1.3700000000000001 108.668 179.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.05 117.02 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.534 -0.728 . . . . 0.47999999999999998 109.765 -179.379 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -75.46 156.79 34.89 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.493 -0.754 . . . . 2.0800000000000001 109.867 179.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.88 136.94 3.21 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.351 -1.1 . . . . 0.40000000000000002 110.351 179.063 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -82.47 -46.94 12.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.42 -1.047 . . . . 2.6400000000000001 109.104 179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.59 -45.15 89.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 2.2200000000000002 108.964 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -60.58 -43.95 96.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.418 -0.801 . . . . 2.7400000000000002 109.283 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -54.3 -57.71 10.17 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.495 -0.753 . . . . 0.42999999999999999 109.554 -179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.17 -39.9 60.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.359 -0.838 . . . . 1.6899999999999999 109.797 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -63.48 -49.45 73.55 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.257 -0.902 . . . . 0.42999999999999999 110.222 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.37 -44.33 97.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.099 -1.0 . . . . 0.27000000000000002 109.12 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -51.23 -42.85 61.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 2.4500000000000002 109.326 179.641 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.05 -44.63 97.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.369 -0.832 . . . . 1.75 109.881 -179.691 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.48 -44.07 97.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.142 -0.974 . . . . 0.31 109.161 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -58.69 -52.57 65.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.22 109.587 179.765 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.6 -35.82 81.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.73 110.01 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -52.36 65.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.28000000000000003 110.253 -179.475 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.1 mt -61.56 -43.07 99.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.964 . . . . 0.31 109.59 -179.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.2 -35.04 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.469 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.64 -48.85 73.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.42999999999999999 109.588 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -62.35 -42.94 99.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.28 -0.888 . . . . 1.5700000000000001 108.995 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 50.4 m-20 -56.01 -32.77 64.29 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.582 -0.699 . . . . 1.4399999999999999 109.426 179.733 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.48 -54.21 18.41 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.388 -0.82 . . . . 0.64000000000000001 110.168 -179.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -81.22 -5.06 57.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 1.21 110.265 -179.19 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.67 -16.06 62.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.928 -1.108 . . . . 1.22 109.35 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.76 32.43 3.71 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.625 -1.39 . . . . 1.5 109.625 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -86.94 90.76 8.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.18 -1.188 . . . . 4.1799999999999997 109.369 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.6 114.36 5.58 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 5.6699999999999999 109.205 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.79 114.92 2.28 Favored 'Trans proline' 0 C--O 1.214 -0.68 0 N-CA-C 109.992 -0.811 . . . . 5.6500000000000004 109.992 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.444 -1.462 . . . . 7.2699999999999996 109.444 179.825 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.405 -0.591 . . . . 7.3300000000000001 109.405 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 321' ' ' LYS . 86.6 mttt 54.13 23.94 4.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.867 . . . . 7.21 109.567 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 320' ' ' LYS . 40.0 mttp 60.0 147.67 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.726 -0.609 . . . . 6.4699999999999998 109.58 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.6 Cg_endo -57.71 -155.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 120.912 1.075 . . . . 4.5300000000000002 109.85 179.462 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.48 120.92 24.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.218 -0.926 . . . . 4.3499999999999996 109.239 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -80.39 -119.38 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -0.895 . . . . 2.48 109.912 -179.676 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 152.65 52.5 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.915 -1.274 . . . . 0.97999999999999998 109.915 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.75 139.71 57.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.436 -1.038 . . . . 1.7 109.62 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.74 149.53 21.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.218 -0.926 . . . . 0.60999999999999999 109.654 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -140.18 138.37 35.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 108.947 179.407 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.95 163.35 12.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.41999999999999998 109.062 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.9 tp -149.33 134.01 17.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.083 -1.01 . . . . 0.35999999999999999 110.088 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -84.99 125.59 32.83 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.726 -0.842 . . . . 1.3700000000000001 108.726 179.376 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.85 111.62 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.584 -0.698 . . . . 0.46999999999999997 109.41 -179.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' A' ' 333' ' ' ARG . 32.8 ttt-85 -74.66 156.29 36.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 2.1000000000000001 109.854 179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.76 138.56 4.19 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 110.17 -1.172 . . . . 0.41999999999999998 110.17 179.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -85.2 -48.41 9.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.383 -1.069 . . . . 2.6800000000000002 109.41 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.7 -44.17 90.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 109.332 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.49 -44.11 97.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.326 -0.859 . . . . 2.77 109.271 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.8 -57.49 10.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.645 -0.66 . . . . 0.42999999999999999 109.606 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -51.11 -38.56 52.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.289 -0.882 . . . . 1.6599999999999999 109.791 -179.695 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.09 -51.21 67.48 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.315 -0.865 . . . . 0.44 110.24 -179.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.93 -42.9 99.05 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.28999999999999998 109.121 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.63 -42.94 62.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.197 -0.939 . . . . 2.4399999999999999 109.241 179.649 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.02 -45.56 94.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.367 -0.833 . . . . 1.74 109.844 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.08 -43.18 99.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 0.29999999999999999 109.228 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.03 -51.3 70.26 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.22 109.523 179.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.94 -37.32 86.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.72 109.732 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.88 -52.44 65.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.889 . . . . 0.27000000000000002 109.921 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.2 -44.64 96.96 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 0.28999999999999998 109.477 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.3 -35.2 73.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.368 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' B' ' 350' ' ' LEU . 1.9 tt -64.8 -51.82 60.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.377 -0.827 . . . . 0.40999999999999998 109.29 -179.904 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.436 ' CB ' ' NZ ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.57 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 1.5600000000000001 109.123 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -35.49 69.56 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.529 179.773 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.86 80.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.66000000000000003 109.711 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.56 -3.37 53.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 1.1799999999999999 109.612 -179.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -89.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.979 . . . . 1.23 109.328 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.1 99.16 0.76 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.405 -1.478 . . . . 1.54 109.405 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -86.2 -143.42 0.1 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -1.186 . . . . 4.1799999999999997 109.31 -179.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.91 153.03 4.78 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.144 -0.973 . . . . 5.71 108.975 -179.917 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.59 128.67 31.35 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 120.966 1.11 . . . . 5.6100000000000003 109.78 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 CA-C-O 117.944 -1.475 . . . . 7.2400000000000002 109.478 -179.971 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.33 -0.618 . . . . 7.3399999999999999 109.33 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 321' ' ' LYS . 86.5 mttt 54.12 23.91 4.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 7.1699999999999999 109.548 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 320' ' ' LYS . 39.9 mttp 60.06 147.8 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.663 -0.648 . . . . 6.4400000000000004 109.531 179.798 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.7 Cg_endo -57.82 -155.53 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 120.943 1.095 . . . . 4.54 109.822 179.502 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.48 120.89 24.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 4.3200000000000003 109.274 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -80.48 -119.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 2.4700000000000002 109.79 -179.561 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 152.59 52.48 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.956 -1.258 . . . . 0.94999999999999996 109.956 -179.567 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -59.73 139.76 57.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.455 -1.026 . . . . 1.6100000000000001 109.56 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -95.71 149.42 21.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.956 . . . . 0.56999999999999995 109.743 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -140.2 138.27 35.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.306 -0.871 . . . . 0.53000000000000003 109.038 179.375 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 30.4 p -97.85 163.23 12.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.43 -0.794 . . . . 0.38 109.044 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.2 tp -149.28 134.01 17.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.123 -0.986 . . . . 0.35999999999999999 110.035 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.63 32.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.762 -0.829 . . . . 1.3600000000000001 108.762 179.369 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.86 111.66 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.58 -0.7 . . . . 0.48999999999999999 109.397 -179.524 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 32.9 ttt-85 -74.71 156.29 36.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.475 -0.765 . . . . 2.1000000000000001 109.758 179.849 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.8 138.62 4.24 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.117 -1.193 . . . . 0.44 110.117 179.411 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.18 -48.56 9.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -1.058 . . . . 2.7200000000000002 109.403 179.766 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -58.62 -44.12 89.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 2.21 109.417 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.57 -43.98 97.87 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.222 -0.924 . . . . 2.79 109.262 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -53.91 -57.47 10.83 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.534 -0.729 . . . . 0.45000000000000001 109.577 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.04 -38.59 52.38 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 1.6799999999999999 109.88 -179.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.15 -51.11 67.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.2 -0.938 . . . . 0.42999999999999999 110.2 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.08 -42.88 99.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.28000000000000003 109.044 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.56 -42.96 62.23 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.205 -0.934 . . . . 2.52 109.285 179.604 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -61.05 -45.57 94.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.339 -0.851 . . . . 1.75 109.808 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.03 -43.19 99.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.147 -0.971 . . . . 0.31 109.286 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -58.12 -51.18 70.78 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.251 -0.906 . . . . 1.21 109.526 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -63.0 -37.31 86.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 1.6899999999999999 109.719 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.499 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.9 -52.34 66.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 0.27000000000000002 109.942 -179.583 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.24 -44.65 96.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.254 -0.904 . . . . 0.29999999999999999 109.493 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.33 -35.03 73.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.318 -0.864 . . . . 1.9299999999999999 109.482 179.897 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.532 HD22 HD22 ' A' ' 350' ' ' LEU . 1.9 tt -64.91 -51.87 59.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.40000000000000002 109.229 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.423 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -61.5 -43.16 99.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.306 -0.872 . . . . 1.5900000000000001 109.16 179.77 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -35.61 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.592 -0.692 . . . . 1.4299999999999999 109.414 179.818 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -36.74 80.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 0.65000000000000002 109.696 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.65 -3.31 53.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 1.1899999999999999 109.653 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.99 -89.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 1.22 109.432 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.04 99.19 0.76 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.43 -1.468 . . . . 1.53 109.43 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.21 -143.41 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -1.163 . . . . 4.21 109.31 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.95 153.02 4.86 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.155 -0.965 . . . . 5.6799999999999997 108.969 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.61 128.64 31.19 Favored 'Trans proline' 0 C--N 1.322 -0.84 0 C-N-CA 121.018 1.145 . . . . 5.5700000000000003 109.69 179.462 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.555 -1.418 . . . . 7.2000000000000002 109.555 179.948 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.333 -0.617 . . . . 8.9600000000000009 109.333 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' C' ' 321' ' ' LYS . 86.7 mttt 54.06 23.95 4.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.306 -0.871 . . . . 8.1500000000000004 109.554 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' C' ' 320' ' ' LYS . 40.0 mttp 60.02 147.69 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 121.7 -0.625 . . . . 7.1500000000000004 109.532 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.6 Cg_endo -57.66 -155.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 120.955 1.103 . . . . 4.3499999999999996 109.796 179.479 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.4 120.89 24.46 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.274 -0.891 . . . . 4.6299999999999999 109.285 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.38 -119.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 2.8500000000000001 109.893 -179.674 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.74 152.58 52.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.9 -1.28 . . . . 1.1200000000000001 109.9 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.67 139.76 56.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.452 -1.028 . . . . 2.1099999999999999 109.529 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.74 149.46 21.46 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.228 -0.92 . . . . 0.64000000000000001 109.744 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.18 138.38 35.12 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.4 -0.812 . . . . 0.48999999999999999 108.939 179.385 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 30.5 p -97.91 163.32 12.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.46999999999999997 109.054 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.29 134.02 17.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.056 -1.027 . . . . 0.41999999999999998 110.04 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -85.12 125.67 32.98 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.691 -0.855 . . . . 1.8100000000000001 108.691 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.6 mt -123.89 111.72 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.581 -0.699 . . . . 0.41999999999999998 109.403 -179.585 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 32.7 ttt-85 -74.68 156.27 36.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.845 . . . . 2.3500000000000001 109.782 179.854 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.58 4.15 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.219 -1.152 . . . . 0.40999999999999998 110.219 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.1 -48.5 9.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.352 -1.087 . . . . 2.5899999999999999 109.527 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -58.62 -44.15 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 2.54 109.409 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.55 -44.1 97.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.251 -0.906 . . . . 3.3900000000000001 109.238 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -53.78 -57.48 10.74 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.525 -0.734 . . . . 0.46999999999999997 109.651 179.915 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -51.16 -38.52 52.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.852 . . . . 1.6599999999999999 109.778 -179.657 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttp -63.05 -51.27 67.36 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.297 -0.877 . . . . 0.60999999999999999 110.188 -179.3 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.93 -42.95 99.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.101 -1.0 . . . . 0.33000000000000002 109.067 -179.748 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -51.56 -43.0 62.26 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.153 -0.967 . . . . 3.2799999999999998 109.208 179.667 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -60.93 -45.66 93.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.388 -0.82 . . . . 1.78 109.853 -179.762 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.91 -43.38 98.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.115 -0.99 . . . . 0.38 109.218 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -57.99 -51.31 70.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.263 -0.898 . . . . 1.2 109.512 179.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.96 -37.28 86.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.734 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.9 -52.36 66.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 0.26000000000000001 109.957 -179.611 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.3 mt -61.19 -44.71 96.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.119 -0.988 . . . . 0.40000000000000002 109.485 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.33 -35.07 73.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 2.0899999999999999 109.353 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.9 -51.85 59.68 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.398 -0.814 . . . . 0.75 109.247 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.56 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.267 -0.896 . . . . 2.1899999999999999 109.113 179.831 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -35.49 69.63 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.599 -0.688 . . . . 1.3400000000000001 109.417 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.81 80.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.71999999999999997 109.685 -179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -81.61 -3.39 53.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 1.8 109.611 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.01 -89.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.123 -0.986 . . . . 1.3899999999999999 109.387 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.09 99.17 0.76 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.428 -1.469 . . . . 1.6599999999999999 109.428 179.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.18 -143.45 0.1 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.177 -1.19 . . . . 4.4500000000000002 109.293 -179.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' C' ' 358' ' ' GLU . 3.7 pt-20 -51.89 153.03 4.75 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.123 -0.986 . . . . 6.1900000000000004 108.967 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -55.59 128.61 31.1 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 120.997 1.131 . . . . 5.5800000000000001 109.768 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.962 -1.465 . . . . 6.9000000000000004 109.569 -179.988 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 7.3600000000000003 109.334 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 321' ' ' LYS . 86.4 mttt 53.99 24.01 4.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.331 -0.855 . . . . 7.1500000000000004 109.594 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' D' ' 320' ' ' LYS . 39.9 mttp 60.01 147.79 0.07 OUTLIER Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.608 -0.683 . . . . 6.5 109.512 179.742 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' D' ' 321' ' ' LYS . 1.7 Cg_endo -57.77 -155.59 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 120.983 1.122 . . . . 4.5 109.805 179.521 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.45 120.94 24.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 4.3200000000000003 109.264 179.821 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -80.53 -119.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.256 -0.902 . . . . 2.46 109.824 -179.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 152.63 52.5 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.931 -1.267 . . . . 0.96999999999999997 109.931 -179.6 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -59.74 139.83 56.97 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.354 -1.086 . . . . 1.6699999999999999 109.558 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -95.91 149.53 21.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.251 -0.906 . . . . 0.60999999999999999 109.669 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -140.19 138.33 35.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.348 -0.845 . . . . 0.56000000000000005 108.951 179.429 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.1 p -97.91 163.16 12.9 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.104 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 44.1 tp -149.24 134.0 17.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.143 -0.973 . . . . 0.34999999999999998 110.059 -179.334 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.05 125.65 32.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.759 -0.83 . . . . 1.3700000000000001 108.759 179.357 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.87 111.65 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.527 -0.733 . . . . 0.47999999999999998 109.502 -179.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.419 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 32.8 ttt-85 -74.65 156.2 36.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.385 -0.822 . . . . 2.0800000000000001 109.837 179.875 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.84 138.58 4.25 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.14 -1.184 . . . . 0.40000000000000002 110.14 179.402 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -85.16 -48.5 9.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -1.061 . . . . 2.6400000000000001 109.359 179.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -58.72 -44.12 90.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.928 . . . . 2.2200000000000002 109.329 -179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.58 -44.02 97.79 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.325 -0.859 . . . . 2.7400000000000002 109.215 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.87 -57.49 10.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.545 -0.722 . . . . 0.42999999999999999 109.597 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.1 -38.47 52.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.882 . . . . 1.6899999999999999 109.872 -179.68 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.7 ttp -63.13 -51.15 67.65 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.185 -0.947 . . . . 0.42999999999999999 110.248 -179.366 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.03 -42.89 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.106 -0.996 . . . . 0.27000000000000002 109.097 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -51.57 -42.91 62.22 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.255 -0.903 . . . . 2.4500000000000002 109.273 179.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -61.03 -45.59 94.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 1.75 109.855 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.01 -43.26 99.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -0.911 . . . . 0.31 109.233 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -58.05 -51.28 70.34 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 1.22 109.531 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.97 -37.19 86.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 1.73 109.841 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.86 -52.43 65.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.28000000000000003 109.96 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.23 -44.63 96.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.31 109.47 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.31 -35.12 73.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.893 . . . . 1.9099999999999999 109.441 179.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.525 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.93 -51.73 60.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.42999999999999999 109.248 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.0 ttmp? -61.64 -43.15 99.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.12 179.765 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -35.51 69.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.56 -0.713 . . . . 1.4399999999999999 109.474 179.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.79 80.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 0.64000000000000001 109.798 -179.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.56 -3.3 52.89 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.232 -0.918 . . . . 1.21 109.662 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -89.79 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 1.22 109.385 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.01 99.2 0.76 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.366 -1.494 . . . . 1.5 109.366 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -86.27 -143.5 0.1 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -1.166 . . . . 4.1799999999999997 109.26 -179.829 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.85 153.01 4.7 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 5.6699999999999999 108.979 -179.855 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.58 128.6 31.05 Favored 'Trans proline' 0 C--N 1.322 -0.846 0 C-N-CA 121.029 1.153 . . . . 5.6500000000000004 109.776 179.403 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 117.991 -1.449 . . . . 7.2699999999999996 109.57 -179.999 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.348 -0.612 . . . . 7.3300000000000001 109.348 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.61 -147.72 0.37 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 7.21 109.343 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.54 67.43 3.94 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.882 . . . . 6.4699999999999998 109.822 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -59.16 -151.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.609 1.54 . . . . 4.5300000000000002 109.898 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.95 103.75 9.12 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 4.3499999999999996 109.267 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.68 136.05 35.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 2.48 109.714 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.13 158.08 53.3 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.318 -1.513 . . . . 0.97999999999999998 109.318 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.62 134.93 57.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -1.164 . . . . 1.7 109.603 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.24 153.93 18.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.25 -0.906 . . . . 0.60999999999999999 109.39 179.788 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.17 -173.02 3.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.314 -0.866 . . . . 0.57999999999999996 109.308 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -150.82 153.14 34.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.239 -0.913 . . . . 0.41999999999999998 108.957 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 30.1 tp -143.9 130.36 19.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.354 -0.841 . . . . 0.35999999999999999 109.722 -178.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -85.74 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.792 . . . . 1.3700000000000001 108.967 179.399 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.3 mt -123.95 111.79 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.604 0.716 . . . . 0.46999999999999997 109.391 -179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.25 121.23 22.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.621 -0.674 . . . . 2.1000000000000001 109.49 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.29 134.47 4.73 Favored Glycine 0 N--CA 1.501 3.022 0 N-CA-C 110.084 -1.207 . . . . 0.41999999999999998 110.084 179.512 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.94 -53.84 5.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -1.077 . . . . 2.6800000000000002 109.117 179.5 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.73 -42.63 79.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.297 -179.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.53 -44.63 90.22 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.4 -0.813 . . . . 2.77 108.897 179.462 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.63 -50.27 70.62 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.595 -0.691 . . . . 0.42999999999999999 109.66 179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.91 -39.87 63.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.263 -179.438 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.58 -45.54 92.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.13 -0.982 . . . . 0.44 110.472 -179.277 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.61 -45.45 94.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.199 -0.938 . . . . 0.28999999999999998 109.564 -179.547 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.53 -39.61 58.04 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.148 -0.97 . . . . 2.4399999999999999 109.584 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.61 -53.54 56.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.74 109.865 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 31.7 mt -60.39 -38.03 82.67 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.163 -0.96 . . . . 0.29999999999999999 108.829 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -59.06 -55.16 38.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.412 -0.805 . . . . 1.22 109.624 179.614 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.69 -32.67 74.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.72 109.877 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.31 -52.63 64.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.192 -0.943 . . . . 0.27000000000000002 110.13 -179.407 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.63 -41.41 97.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 0.28999999999999998 109.744 -179.568 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.01 -37.09 76.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.162 -0.961 . . . . 1.9099999999999999 109.54 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.07 -52.04 61.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.40999999999999998 109.239 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 351' ' ' LYS . 3.1 ttmp? -60.62 -42.36 96.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 1.5600000000000001 109.045 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.3 -39.17 75.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.715 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.6 -26.98 66.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.66000000000000003 109.839 -179.583 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -83.09 -11.68 57.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.998 . . . . 1.1799999999999999 109.447 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -0.26 9.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 1.23 109.055 179.571 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.5 -72.72 1.29 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.629 -1.389 . . . . 1.54 109.629 -179.814 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.31 106.8 15.37 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.26 -1.141 . . . . 4.1799999999999997 109.413 -179.431 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -51.51 153.21 4.01 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.866 . . . . 5.71 109.278 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.11 114.57 1.99 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.093 1.195 . . . . 5.6100000000000003 109.946 179.367 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 CA-C-O 117.947 -1.474 . . . . 7.2400000000000002 109.503 179.832 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.372 -0.603 . . . . 7.3399999999999999 109.372 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 52.3 tttt 62.69 -147.74 0.36 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.236 -0.915 . . . . 7.1699999999999999 109.372 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.47 67.52 3.88 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.259 -0.9 . . . . 6.4400000000000004 109.809 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -59.21 -151.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 121.632 1.555 . . . . 4.54 109.951 -179.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.99 103.81 9.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 4.3200000000000003 109.327 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.67 136.14 35.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.372 -0.83 . . . . 2.4700000000000002 109.706 -179.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 158.1 53.32 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.36 -1.496 . . . . 0.94999999999999996 109.36 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.56 134.8 57.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -1.15 . . . . 1.6100000000000001 109.606 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.16 153.93 18.36 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.294 -0.879 . . . . 0.56999999999999995 109.45 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.16 -173.01 3.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.364 -0.835 . . . . 0.53000000000000003 109.251 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.9 p -150.85 153.17 34.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.3 -0.875 . . . . 0.38 108.929 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.91 130.4 20.0 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.367 -0.833 . . . . 0.35999999999999999 109.63 -178.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.7 129.71 34.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 1.3600000000000001 108.946 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.99 111.95 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.52 -0.738 . . . . 0.48999999999999999 109.355 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.3 121.3 22.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.69 . . . . 2.1000000000000001 109.461 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.12 134.54 4.77 Favored Glycine 0 N--CA 1.503 3.147 0 N-CA-C 110.08 -1.208 . . . . 0.44 110.08 179.519 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -81.96 -53.9 5.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.409 -1.053 . . . . 2.7200000000000002 109.08 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.72 -42.63 79.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.245 -0.909 . . . . 2.21 109.299 -179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.54 -44.64 90.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.331 -0.855 . . . . 2.79 108.82 179.447 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -55.61 -50.3 70.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.562 -0.711 . . . . 0.45000000000000001 109.639 179.861 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.82 -40.02 62.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 1.6799999999999999 110.241 -179.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.49 -45.65 92.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.197 -0.939 . . . . 0.42999999999999999 110.441 -179.189 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.51 -45.46 94.13 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.958 . . . . 0.28000000000000003 109.562 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.46 -39.7 57.98 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.163 -0.961 . . . . 2.52 109.545 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.6 -53.54 56.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 1.75 109.877 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.32 -38.1 82.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.169 -0.957 . . . . 0.31 108.883 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.94 -55.2 38.23 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.791 . . . . 1.21 109.644 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -63.74 -32.62 74.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -0.858 . . . . 1.6899999999999999 109.919 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.415 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.32 -52.58 65.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.271 -0.893 . . . . 0.27000000000000002 110.163 -179.442 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.69 -41.3 97.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.152 -0.968 . . . . 0.29999999999999999 109.713 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -59.14 -37.01 76.23 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.9299999999999999 109.509 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.498 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.9 tt -64.1 -52.03 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.326 -0.859 . . . . 0.40000000000000002 109.254 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.1 ttmp? -60.6 -42.32 96.54 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.347 -0.845 . . . . 1.5900000000000001 109.142 179.871 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -57.39 -39.17 75.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.655 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -27.09 66.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -0.871 . . . . 0.65000000000000002 109.914 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.87 -12.04 57.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 1.1899999999999999 109.465 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.88 -0.41 9.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 1.22 109.158 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -72.67 1.29 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.7 -1.36 . . . . 1.53 109.7 -179.811 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.26 106.82 15.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.281 -1.129 . . . . 4.21 109.512 -179.551 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -51.48 153.27 3.92 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.327 -0.858 . . . . 5.6799999999999997 109.236 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -57.27 114.7 2.05 Favored 'Trans proline' 0 C--N 1.324 -0.734 0 C-N-CA 121.071 1.18 . . . . 5.5700000000000003 109.857 179.443 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.966 -1.463 . . . . 7.2000000000000002 109.508 179.89 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.352 -0.611 . . . . 8.9600000000000009 109.352 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.57 -147.76 0.37 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 8.1500000000000004 109.396 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.62 67.41 3.94 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 7.1500000000000004 109.767 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -59.07 -151.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.045 0 C-N-CA 121.614 1.543 . . . . 4.3499999999999996 109.969 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.97 103.8 9.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.94 . . . . 4.6299999999999999 109.297 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.71 136.11 35.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.411 -0.806 . . . . 2.8500000000000001 109.717 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.19 158.11 53.31 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.33 -1.508 . . . . 1.1200000000000001 109.33 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.66 134.76 57.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -1.209 . . . . 2.1099999999999999 109.591 -179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -93.26 153.92 18.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.188 -0.945 . . . . 0.64000000000000001 109.358 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -138.14 -173.0 3.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.369 -0.832 . . . . 0.48999999999999999 109.242 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -150.79 153.27 35.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.46999999999999997 108.971 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 30.2 tp -143.98 130.24 19.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.41999999999999998 109.665 -178.803 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.64 129.8 34.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.403 -0.811 . . . . 1.8100000000000001 108.977 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.96 111.85 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 109.37 -179.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.26 121.26 22.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.681 . . . . 2.3500000000000001 109.506 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.23 134.56 4.76 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 110.097 -1.201 . . . . 0.40999999999999998 110.097 179.54 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -82.0 -53.86 5.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -1.088 . . . . 2.5899999999999999 109.08 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -56.67 -42.76 79.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 2.54 109.253 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.342 -0.849 . . . . 3.3900000000000001 108.829 179.559 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.62 -50.34 70.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.512 -0.742 . . . . 0.46999999999999997 109.563 179.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.93 -39.85 63.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.285 -0.884 . . . . 1.6599999999999999 110.227 -179.386 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -62.53 -45.64 92.02 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.136 -0.978 . . . . 0.60999999999999999 110.464 -179.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.48 -45.54 93.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.16 -0.963 . . . . 0.33000000000000002 109.559 -179.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -51.5 -39.62 57.94 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.188 -0.945 . . . . 3.2799999999999998 109.562 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.64 -53.49 56.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 1.78 109.928 -179.67 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.24 -38.16 82.57 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.116 -0.99 . . . . 0.38 108.87 179.805 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.96 -55.25 37.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.45 -0.781 . . . . 1.2 109.631 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -63.62 -32.71 74.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 2.1200000000000001 109.905 -179.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.32 -52.59 65.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 0.26000000000000001 110.128 -179.373 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.66 -41.43 97.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 0.40000000000000002 109.694 -179.647 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -58.97 -37.12 76.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.198 -0.938 . . . . 2.0899999999999999 109.552 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.07 -51.94 61.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.75 109.209 -179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.408 ' NZ ' ' CB ' ' C' ' 351' ' ' LYS . 3.1 ttmp? -60.69 -42.36 97.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 2.1899999999999999 109.084 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.3 -39.21 75.27 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 109.701 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -26.99 66.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.337 -0.852 . . . . 0.71999999999999997 109.916 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -83.04 -11.75 57.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.123 -0.985 . . . . 1.8 109.48 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.1 -0.41 9.53 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.94 . . . . 1.3899999999999999 109.097 179.576 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -72.67 1.29 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.652 -1.379 . . . . 1.6599999999999999 109.652 -179.799 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.24 106.78 15.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.233 -1.157 . . . . 4.4500000000000002 109.46 -179.46 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -51.5 153.28 3.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.898 . . . . 6.1900000000000004 109.25 -179.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -57.24 114.61 2.01 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 121.027 1.152 . . . . 5.5800000000000001 109.949 179.371 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 117.942 -1.477 . . . . 6.9000000000000004 109.506 179.883 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.399 -0.593 . . . . 7.3600000000000003 109.399 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 52.4 tttt 62.51 -147.73 0.37 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 7.1500000000000004 109.386 -179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 52.57 67.51 3.87 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 6.5 109.742 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -59.14 -151.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.977 0 C-N-CA 121.589 1.526 . . . . 4.5 109.967 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.98 103.82 9.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 4.3200000000000003 109.286 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.68 136.05 35.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.368 -0.832 . . . . 2.46 109.673 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 158.18 53.3 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.341 -1.504 . . . . 0.96999999999999997 109.341 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.61 134.84 57.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.177 . . . . 1.6699999999999999 109.646 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -93.2 153.84 18.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.232 -0.918 . . . . 0.60999999999999999 109.417 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -138.13 -172.95 3.39 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.269 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -150.82 153.15 34.87 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.252 -0.905 . . . . 0.42999999999999999 108.957 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.88 130.33 19.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.303 -0.873 . . . . 0.34999999999999998 109.784 -178.858 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.72 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 108.971 179.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.01 111.86 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 CA-C-O 121.624 0.726 . . . . 0.47999999999999998 109.332 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.27 121.23 22.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.545 -0.722 . . . . 2.0800000000000001 109.46 179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 120.18 134.54 4.76 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 110.128 -1.189 . . . . 0.40000000000000002 110.128 179.515 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -81.95 -53.83 5.82 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.463 -1.022 . . . . 2.6400000000000001 109.173 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -56.77 -42.66 79.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.251 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -64.51 -44.63 90.29 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.353 -0.842 . . . . 2.7400000000000002 108.866 179.492 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.55 -50.38 70.19 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.606 -0.684 . . . . 0.42999999999999999 109.64 179.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -52.89 -39.94 63.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.845 . . . . 1.6899999999999999 110.253 -179.411 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -62.45 -45.64 92.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.162 -0.961 . . . . 0.42999999999999999 110.469 -179.278 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.5 -45.52 93.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.179 -0.95 . . . . 0.27000000000000002 109.554 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -51.51 -39.66 58.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.116 -0.99 . . . . 2.4500000000000002 109.473 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.62 -53.49 56.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.27 -38.24 82.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.31 108.833 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.91 -55.21 38.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.418 -0.801 . . . . 1.22 109.635 179.692 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -63.68 -32.67 74.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 1.73 109.927 -179.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -52.67 64.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.28000000000000003 110.179 -179.456 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.4 mt -61.68 -41.38 97.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.31 109.719 -179.567 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -58.98 -37.09 76.02 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.12 -0.988 . . . . 1.9099999999999999 109.514 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.15 -51.97 61.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.283 -0.885 . . . . 0.42999999999999999 109.248 -179.898 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.62 -42.42 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.299 -0.876 . . . . 1.5700000000000001 109.057 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.21 -39.3 75.19 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.499 -0.751 . . . . 1.4399999999999999 109.679 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -26.95 66.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.335 -0.853 . . . . 0.64000000000000001 109.906 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -83.22 -11.54 57.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.206 -0.934 . . . . 1.21 109.362 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.33 -0.29 9.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 1.22 108.972 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 -72.64 1.29 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.685 -1.366 . . . . 1.5 109.685 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -83.31 106.81 15.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 4.1799999999999997 109.421 -179.465 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -51.47 153.19 3.96 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 5.6699999999999999 109.284 -179.858 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -57.13 114.58 1.99 Allowed 'Trans proline' 0 C--N 1.324 -0.761 0 C-N-CA 121.078 1.185 . . . . 5.6500000000000004 109.946 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.985 -1.453 . . . . 7.2699999999999996 109.526 179.844 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' A' ' 321' ' ' LYS . 51.2 mtpt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 7.3300000000000001 109.181 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.08 -28.58 0.15 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.83 -0.544 . . . . 7.21 110.151 -179.919 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 319' ' ' LYS . 15.3 mtpp 53.82 68.16 3.04 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.091 -1.005 . . . . 6.4699999999999998 109.538 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.87 12.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.834 0 C-N-CA 121.812 1.675 . . . . 4.5300000000000002 110.307 -179.645 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 321' ' ' LYS . 21.9 mt -80.8 99.58 8.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.854 -1.154 . . . . 4.3499999999999996 109.579 -179.882 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.29 -143.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.496 -0.752 . . . . 2.48 109.402 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.402 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.63 -173.46 8.29 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.85 -1.3 . . . . 0.97999999999999998 109.85 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.19 133.34 55.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.345 -1.091 . . . . 1.7 110.036 -179.807 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -95.71 160.31 14.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.302 -0.874 . . . . 0.60999999999999999 109.244 179.403 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.2 -168.74 2.51 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.381 -0.824 . . . . 0.57999999999999996 109.526 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.17 151.69 32.27 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.56 -0.904 . . . . 0.41999999999999998 108.56 179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -144.82 136.85 25.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.219 -0.926 . . . . 0.35999999999999999 109.825 -178.816 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -85.11 130.31 34.64 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.327 -0.99 . . . . 1.3700000000000001 108.327 178.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.23 111.31 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 CA-C-O 121.669 0.747 . . . . 0.46999999999999997 109.394 -179.578 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.76 143.12 46.2 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.689 -0.632 . . . . 2.1000000000000001 109.856 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.12 133.8 7.42 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.205 -1.158 . . . . 0.41999999999999998 110.205 179.462 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -80.89 -50.4 9.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.466 -1.02 . . . . 2.6800000000000002 109.599 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.83 -40.81 85.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.949 -1.094 . . . . 2.2200000000000002 109.071 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -63.2 -40.54 97.78 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.296 -0.878 . . . . 2.77 109.154 179.703 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.47 -55.81 27.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.628 -0.67 . . . . 0.42999999999999999 109.872 -179.623 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.48 51.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.307 -0.87 . . . . 1.6599999999999999 109.809 -179.695 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -53.3 54.73 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.235 -0.915 . . . . 0.44 110.172 -179.4 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.25 -44.08 97.83 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.074 -1.016 . . . . 0.28999999999999998 109.106 -179.663 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.44 -45.46 62.68 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.292 -0.88 . . . . 2.4399999999999999 109.525 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.81 -44.31 97.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.34 -0.85 . . . . 1.74 109.9 -179.732 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.37 -41.32 96.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.29999999999999999 109.446 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -58.39 -52.79 64.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 1.22 109.458 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.98 -33.67 74.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.309 -0.869 . . . . 1.72 109.737 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.3 -52.46 65.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -0.883 . . . . 0.27000000000000002 109.996 -179.434 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.1 -44.22 97.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.171 -0.955 . . . . 0.28999999999999998 109.567 -179.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.26 -40.1 80.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.289 -0.882 . . . . 1.9099999999999999 109.347 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.629 HD13 HE22 ' B' ' 354' ' ' GLN . 35.0 tp -64.36 -37.75 88.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.149 -0.969 . . . . 0.40999999999999998 109.157 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.69 -41.18 98.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.904 0.859 . . . . 1.5600000000000001 108.769 179.518 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.78 -34.77 65.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.621 -0.674 . . . . 1.4299999999999999 109.504 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -32.57 73.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.66000000000000003 109.354 179.831 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -82.21 -5.12 58.27 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.313 -0.867 . . . . 1.1799999999999999 109.757 -179.95 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.19 -87.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.133 -0.98 . . . . 1.23 109.82 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.89 77.1 0.05 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.815 -1.314 . . . . 1.54 109.815 -179.666 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 355' ' ' ALA . 15.8 pttm -86.45 60.99 6.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.106 -1.232 . . . . 4.1799999999999997 109.349 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.404 ' HG2' ' H ' ' A' ' 358' ' ' GLU . 3.3 pt-20 -50.0 155.05 1.68 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 5.71 109.524 -178.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.49 164.08 7.72 Favored 'Trans proline' 0 N--CA 1.48 0.695 0 C-N-CA 121.31 1.34 . . . . 5.6100000000000003 110.284 179.35 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 CA-C-O 117.959 -1.467 . . . . 7.2400000000000002 109.51 179.522 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.53 ' C ' ' H ' ' B' ' 321' ' ' LYS . 51.3 mtpt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.091 -0.707 . . . . 7.3399999999999999 109.091 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.06 -28.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.785 -0.572 . . . . 7.1699999999999999 110.105 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' B' ' 319' ' ' LYS . 15.4 mtpp 53.76 68.21 3.01 Favored Pre-proline 0 N--CA 1.488 1.452 0 O-C-N 121.122 -0.987 . . . . 6.4400000000000004 109.499 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.75 12.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 121.803 1.669 . . . . 4.54 110.37 -179.759 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' B' ' 321' ' ' LYS . 22.0 mt -80.84 99.66 8.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.964 -1.085 . . . . 4.3200000000000003 109.564 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.31 -143.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.543 -0.723 . . . . 2.4700000000000002 109.445 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 -173.41 7.95 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.924 -1.27 . . . . 0.94999999999999996 109.924 -179.955 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.31 133.36 55.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -1.034 . . . . 1.6100000000000001 110.076 -179.84 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -95.66 160.38 14.53 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.274 -0.891 . . . . 0.56999999999999995 109.284 179.391 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -139.15 -168.71 2.5 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.406 -0.809 . . . . 0.53000000000000003 109.463 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 23.0 p -151.3 151.55 31.94 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.586 -0.894 . . . . 0.38 108.586 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.75 136.96 26.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.277 -0.889 . . . . 0.35999999999999999 109.833 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.2 130.29 34.63 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.357 -0.979 . . . . 1.3600000000000001 108.357 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.24 111.28 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.697 0.761 . . . . 0.48999999999999999 109.389 -179.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.78 143.17 46.13 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 120.123 -0.631 . . . . 2.1000000000000001 109.894 -179.725 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.14 133.9 7.47 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.193 -1.163 . . . . 0.44 110.193 179.5 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.0 -50.39 9.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.484 -1.009 . . . . 2.7200000000000002 109.62 179.792 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.74 -40.97 85.36 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.918 -1.114 . . . . 2.21 109.052 179.705 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.6 98.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.29 -0.881 . . . . 2.79 109.163 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -55.52 -55.75 28.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.615 -0.678 . . . . 0.45000000000000001 109.918 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.81 -37.48 51.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 1.6799999999999999 109.779 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.33 -53.3 54.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.191 -0.943 . . . . 0.42999999999999999 110.185 -179.396 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.24 -44.02 97.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.15 -0.969 . . . . 0.28000000000000003 109.117 -179.661 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.57 -45.38 63.07 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.302 -0.874 . . . . 2.52 109.475 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.83 -44.32 97.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 1.75 109.876 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.44 -41.32 97.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.115 -0.99 . . . . 0.31 109.387 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -58.34 -52.76 64.24 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.314 -0.866 . . . . 1.21 109.524 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.61 74.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.681 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.36 -52.48 65.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.316 -0.865 . . . . 0.27000000000000002 109.998 -179.427 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.94 -44.24 97.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.29999999999999999 109.623 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.3 -40.23 81.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.245 -0.909 . . . . 1.9299999999999999 109.237 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.17 -37.66 88.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.281 -0.887 . . . . 0.40000000000000002 109.176 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.75 -41.37 99.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.352 -0.842 . . . . 1.5900000000000001 108.799 179.379 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.76 -34.63 65.41 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.642 -0.662 . . . . 1.4299999999999999 109.507 179.868 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -32.58 73.47 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.42 -0.8 . . . . 0.65000000000000002 109.362 179.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.629 HE22 HD13 ' A' ' 350' ' ' LEU . 9.1 tt0 -82.23 -5.06 58.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 1.1899999999999999 109.754 -179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.25 -87.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.215 -0.928 . . . . 1.22 109.824 -179.786 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.92 77.3 0.05 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.802 -1.319 . . . . 1.53 109.802 -179.711 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' B' ' 355' ' ' ALA . 15.8 pttm -86.84 61.19 6.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.143 -1.21 . . . . 4.21 109.259 179.85 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.12 155.06 1.74 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.475 -0.766 . . . . 5.6799999999999997 109.398 -178.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -57.56 164.07 7.88 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 121.304 1.336 . . . . 5.5700000000000003 110.328 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.946 -1.474 . . . . 7.2000000000000002 109.459 179.531 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' C' ' 321' ' ' LYS . 51.2 mtpt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.192 -0.67 . . . . 8.9600000000000009 109.192 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.04 -28.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.754 -0.591 . . . . 8.1500000000000004 110.157 -179.919 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' C' ' 319' ' ' LYS . 15.4 mtpp 53.79 68.17 3.03 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.134 -0.979 . . . . 7.1500000000000004 109.521 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.83 12.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.323 -0.786 0 C-N-CA 121.811 1.674 . . . . 4.3499999999999996 110.371 -179.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' C' ' 321' ' ' LYS . 22.0 mt -80.8 99.53 8.33 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.868 -1.145 . . . . 4.6299999999999999 109.59 -179.85 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -82.18 -143.42 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.512 -0.742 . . . . 2.8500000000000001 109.543 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.64 -173.35 8.19 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.886 -1.286 . . . . 1.1200000000000001 109.886 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.27 133.39 55.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.076 . . . . 2.1099999999999999 110.088 -179.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -95.83 160.29 14.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.64000000000000001 109.303 179.385 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -139.1 -168.8 2.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.398 -0.814 . . . . 0.48999999999999999 109.458 -179.597 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -151.17 151.62 32.17 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.555 -0.905 . . . . 0.46999999999999997 108.555 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.73 137.05 26.25 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.333 -0.854 . . . . 0.41999999999999998 109.734 -178.785 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.29 34.63 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 1.8100000000000001 108.252 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.22 111.32 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 121.617 0.722 . . . . 0.41999999999999998 109.323 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.402 HH21 ' H ' ' A' ' 325' ' ' GLY . 2.8 tmt_? -73.81 143.16 46.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.685 -0.634 . . . . 2.3500000000000001 109.837 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.08 134.15 7.55 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 110.184 -1.166 . . . . 0.40999999999999998 110.184 179.481 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -81.2 -50.39 9.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.507 -0.996 . . . . 2.5899999999999999 109.605 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.72 -40.91 85.12 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.909 -1.119 . . . . 2.54 109.082 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.16 -40.61 98.03 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.327 -0.858 . . . . 3.3900000000000001 109.211 179.673 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.39 -55.83 27.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.642 -0.661 . . . . 0.46999999999999997 109.923 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.79 -37.52 51.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -0.897 . . . . 1.6599999999999999 109.752 -179.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.3 -53.38 53.63 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.142 -0.974 . . . . 0.60999999999999999 110.136 -179.384 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.2 -44.12 97.8 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.132 -0.98 . . . . 0.33000000000000002 109.16 -179.657 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -51.45 -45.45 62.71 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.354 -0.841 . . . . 3.2799999999999998 109.503 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.7 -44.52 96.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.78 109.9 -179.776 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.32 -41.35 96.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.141 -0.974 . . . . 0.38 109.385 -179.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.291 -0.881 . . . . 1.2 109.489 179.704 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.1 -33.67 74.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 2.1200000000000001 109.651 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.3 -52.52 65.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.324 -0.86 . . . . 0.26000000000000001 109.988 -179.455 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.94 -44.24 97.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.40000000000000002 109.6 -179.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.25 -40.17 81.09 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.323 -0.861 . . . . 2.0899999999999999 109.297 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 35.3 tp -64.31 -37.74 88.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.75 109.09 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.66 -41.36 99.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.842 . . . . 2.1899999999999999 108.827 179.357 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -55.7 -34.72 65.34 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.548 -0.72 . . . . 1.3400000000000001 109.549 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.56 73.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.314 -0.866 . . . . 0.71999999999999997 109.393 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.625 HE22 HD13 ' D' ' 350' ' ' LEU . 9.1 tt0 -82.15 -5.23 58.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 1.8 109.783 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.17 -87.0 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.956 . . . . 1.3899999999999999 109.845 -179.734 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.93 77.05 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.86 -1.296 . . . . 1.6599999999999999 109.86 -179.68 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' C' ' 355' ' ' ALA . 15.7 pttm -86.49 61.03 6.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.1 -1.235 . . . . 4.4500000000000002 109.263 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.07 155.08 1.71 Allowed Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 6.1900000000000004 109.484 -178.992 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -57.44 164.18 7.48 Favored 'Trans proline' 0 N--CA 1.48 0.703 0 C-N-CA 121.291 1.328 . . . . 5.5800000000000001 110.36 179.311 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.948 -1.473 . . . . 6.9000000000000004 109.497 179.53 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' D' ' 321' ' ' LYS . 51.1 mtpt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.156 -0.683 . . . . 7.3600000000000003 109.156 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 31.6 tptt 68.09 -28.65 0.15 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.811 -0.556 . . . . 7.1500000000000004 110.128 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' D' ' 319' ' ' LYS . 15.4 mtpp 53.79 68.18 3.02 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.231 -0.918 . . . . 6.5 109.507 -179.809 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.84 12.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 121.789 1.66 . . . . 4.5 110.397 -179.674 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' D' ' 321' ' ' LYS . 21.8 mt -80.76 99.56 8.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.904 -1.122 . . . . 4.3200000000000003 109.628 -179.886 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -82.29 -143.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.499 -0.751 . . . . 2.46 109.463 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 -173.34 8.17 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.835 -1.306 . . . . 0.96999999999999997 109.835 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.34 133.45 55.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -1.087 . . . . 1.6699999999999999 110.023 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -95.73 160.33 14.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.307 -0.87 . . . . 0.60999999999999999 109.296 179.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.21 -168.79 2.52 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.508 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.2 p -151.27 151.45 31.84 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.555 -0.906 . . . . 0.42999999999999999 108.555 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -144.61 137.02 26.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.298 -0.876 . . . . 0.34999999999999998 109.828 -178.743 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -85.26 130.28 34.63 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.331 -0.989 . . . . 1.3700000000000001 108.331 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-O 121.636 0.731 . . . . 0.47999999999999998 109.312 -179.527 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.91 143.22 45.86 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.691 -0.63 . . . . 2.0800000000000001 109.802 -179.726 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.15 133.95 7.49 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.173 -1.171 . . . . 0.40000000000000002 110.173 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -81.08 -50.33 9.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.409 -1.053 . . . . 2.6400000000000001 109.594 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.79 -40.9 85.39 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.87 -1.143 . . . . 2.2200000000000002 109.073 179.691 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -63.09 -40.63 98.2 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.306 -0.872 . . . . 2.7400000000000002 109.221 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -55.42 -55.8 27.54 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.683 -0.636 . . . . 0.42999999999999999 109.928 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.77 -37.52 51.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.325 -0.859 . . . . 1.6899999999999999 109.758 -179.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.33 -53.26 55.46 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.146 -0.971 . . . . 0.42999999999999999 110.183 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.35 -43.96 97.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.27000000000000002 109.105 -179.655 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.54 -45.46 62.99 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.36 -0.837 . . . . 2.4500000000000002 109.483 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.7 -44.43 96.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.28 -0.887 . . . . 1.75 109.914 -179.761 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.4 -41.3 96.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.112 -0.993 . . . . 0.31 109.406 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -58.34 -52.8 64.06 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.266 -0.897 . . . . 1.22 109.487 179.672 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.15 -33.56 74.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 1.73 109.711 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.42 -52.36 65.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.28000000000000003 109.999 -179.446 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.13 -44.13 97.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.217 -0.927 . . . . 0.31 109.532 -179.774 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.32 -40.16 81.33 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.276 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.625 HD13 HE22 ' C' ' 354' ' ' GLN . 34.9 tp -64.35 -37.7 88.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.42999999999999999 109.163 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -62.6 -41.4 98.95 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.957 0.884 . . . . 1.5700000000000001 108.785 179.429 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -55.67 -34.8 65.33 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.559 -0.713 . . . . 1.4399999999999999 109.483 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -32.55 73.45 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.349 -0.845 . . . . 0.64000000000000001 109.324 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -82.18 -5.14 58.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.346 -0.846 . . . . 1.21 109.771 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.1 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.186 -0.946 . . . . 1.22 109.828 -179.831 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -63.79 77.02 0.05 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.839 -1.304 . . . . 1.5 109.839 -179.648 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' D' ' 355' ' ' ALA . 15.7 pttm -86.53 61.04 6.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -1.194 . . . . 4.1799999999999997 109.285 179.864 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -50.06 155.07 1.71 Allowed Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.807 . . . . 5.6699999999999999 109.539 -179.003 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -57.52 164.18 7.64 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 121.363 1.375 . . . . 5.6500000000000004 110.279 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.946 -1.475 . . . . 7.2699999999999996 109.452 179.607 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.275 0.56 . . . . 7.3300000000000001 109.538 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 53.57 50.57 16.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 7.21 109.613 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 323' ' ' LEU . 66.6 mttm 51.73 78.75 0.38 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 6.4699999999999998 109.553 179.684 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.03 7.79 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.332 1.355 . . . . 4.5300000000000002 110.49 -179.498 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 321' ' ' LYS . 10.1 mt -80.49 14.0 2.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.137 -0.977 . . . . 4.3499999999999996 109.031 179.605 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.33 -112.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.579 -0.701 . . . . 2.48 110.067 -179.476 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 136.17 29.18 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.154 -1.179 . . . . 0.97999999999999998 110.154 -179.396 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 143.05 58.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.749 -0.854 . . . . 1.7 109.802 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.47 152.26 18.57 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.254 -0.904 . . . . 0.60999999999999999 109.178 179.437 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.86 -175.16 3.87 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.884 . . . . 0.57999999999999996 109.416 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -150.79 149.52 29.84 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.219 -0.926 . . . . 0.41999999999999998 108.712 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.53 133.16 25.28 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.243 -0.911 . . . . 0.35999999999999999 109.78 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.46 128.5 34.75 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.455 -0.778 . . . . 1.3700000000000001 108.93 179.402 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.92 112.42 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.508 -0.745 . . . . 0.46999999999999997 109.125 -179.772 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -75.72 151.3 37.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.438 -0.789 . . . . 2.1000000000000001 109.651 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.57 9.67 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.115 -1.194 . . . . 0.41999999999999998 110.115 179.523 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -83.14 -56.54 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.43 -1.041 . . . . 2.6800000000000002 109.56 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -57.91 -38.18 75.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.2200000000000002 109.493 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.32 -44.1 97.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.21 -0.932 . . . . 2.77 109.067 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.22 -53.78 53.13 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.595 -0.691 . . . . 0.42999999999999999 109.551 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.78 56.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.431 -0.793 . . . . 1.6599999999999999 110.063 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.13 -49.16 76.98 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.199 -0.938 . . . . 0.44 110.167 -179.428 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.18 -45.41 94.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 0.28999999999999998 109.17 -179.835 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.2 -42.22 60.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 2.4399999999999999 109.365 179.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.69 -50.25 74.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.74 109.652 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.97 -40.78 94.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 0.29999999999999999 108.633 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.12 -54.32 48.36 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.539 -0.726 . . . . 1.22 109.649 179.676 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -61.68 -34.57 75.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.383 -0.823 . . . . 1.72 109.439 -179.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.16 -51.67 68.75 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.356 -0.84 . . . . 0.27000000000000002 109.639 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.45 -47.24 86.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -0.989 . . . . 0.28999999999999998 108.957 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.22 -25.69 61.95 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.222 -0.924 . . . . 1.9099999999999999 108.609 179.474 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -64.89 -58.2 6.79 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.463 -0.939 . . . . 0.40999999999999998 108.463 179.624 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.91 89.53 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.864 0.84 . . . . 1.5600000000000001 108.779 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.75 -33.45 70.28 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.376 0.608 . . . . 1.4299999999999999 109.533 179.391 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.19 88.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.207 -0.933 . . . . 0.66000000000000003 109.763 -179.673 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.37 -8.98 59.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.52 -179.926 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.74 -2.22 16.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 1.23 109.357 179.782 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 -58.63 2.05 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.66 -1.376 . . . . 1.54 109.66 -179.847 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.82 106.25 16.21 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.223 -1.163 . . . . 4.1799999999999997 109.622 -179.636 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 359' ' ' PRO . 1.2 mt-10 -56.9 -45.38 99.96 Favored Pre-proline 0 N--CA 1.488 1.447 0 O-C-N 121.194 -0.941 . . . . 5.71 110.43 179.54 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 358' ' ' GLU . 1.9 Cg_endo -66.24 7.53 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 N-CA-C 109.756 -0.902 . . . . 5.6100000000000003 109.756 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.949 -1.473 . . . . 7.2400000000000002 109.623 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.25 0.548 . . . . 7.3399999999999999 109.533 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 53.59 50.59 16.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 7.1699999999999999 109.595 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' B' ' 323' ' ' LEU . 66.6 mttm 51.75 78.75 0.38 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 6.4400000000000004 109.561 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.05 7.75 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.302 1.335 . . . . 4.54 110.471 -179.421 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' B' ' 321' ' ' LYS . 10.2 mt -80.45 13.94 2.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 4.3200000000000003 108.988 179.701 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.36 -112.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.643 -0.66 . . . . 2.4700000000000002 110.071 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 136.18 29.32 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.113 -1.195 . . . . 0.94999999999999996 110.113 -179.381 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -63.75 143.02 58.18 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.612 -0.934 . . . . 1.6100000000000001 109.769 179.74 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.53 152.3 18.55 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.289 -0.882 . . . . 0.56999999999999995 109.164 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -135.8 -175.14 3.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.329 -0.857 . . . . 0.53000000000000003 109.434 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.3 p -150.78 149.4 29.7 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.28 -0.888 . . . . 0.38 108.791 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.6 tp -142.39 133.37 25.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.269 -0.895 . . . . 0.35999999999999999 109.831 -178.66 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.58 128.44 34.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.385 -0.822 . . . . 1.3600000000000001 108.934 179.423 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.89 112.38 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.763 . . . . 0.48999999999999999 109.143 -179.754 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.75 151.37 37.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.403 -0.811 . . . . 2.1000000000000001 109.637 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.61 139.54 9.61 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.091 -1.203 . . . . 0.44 110.091 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.14 -56.59 3.7 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.472 -1.016 . . . . 2.7200000000000002 109.46 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.95 -38.19 75.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 2.21 109.466 -179.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.1 97.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.233 -0.917 . . . . 2.79 109.029 179.795 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -56.21 -53.7 54.01 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.577 -0.702 . . . . 0.45000000000000001 109.681 179.881 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.74 -38.8 56.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.0 -179.733 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.17 -49.17 76.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.168 -0.958 . . . . 0.42999999999999999 110.147 -179.443 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.11 -45.38 94.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -0.943 . . . . 0.28000000000000003 109.226 -179.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.26 -42.29 60.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 2.52 109.281 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.53 -50.29 74.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.297 -0.877 . . . . 1.75 109.656 -179.894 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -40.78 94.73 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.638 -0.875 . . . . 0.31 108.638 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.21 -54.27 48.81 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.468 -0.77 . . . . 1.21 109.62 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.65 -34.74 76.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.378 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.498 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.06 -51.63 68.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.403 -0.811 . . . . 0.27000000000000002 109.665 -179.913 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.47 -47.0 87.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.26 -0.9 . . . . 0.29999999999999999 109.001 179.567 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -25.56 62.58 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.608 -0.886 . . . . 1.9299999999999999 108.608 179.532 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -64.9 -58.25 6.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.47 -0.937 . . . . 0.40000000000000002 108.47 179.562 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.71 -40.94 89.63 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.806 -0.813 . . . . 1.5900000000000001 108.806 -179.675 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.77 -33.45 70.31 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 109.476 -0.565 . . . . 1.4299999999999999 109.476 179.371 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.2 88.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.863 . . . . 0.65000000000000002 109.807 -179.682 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.41 -8.97 59.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 1.1899999999999999 109.49 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -2.33 16.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 1.22 109.388 179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 -58.48 2.07 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.776 -1.33 . . . . 1.53 109.776 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.89 106.21 16.24 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.3 -1.118 . . . . 4.21 109.673 -179.755 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' B' ' 359' ' ' PRO . 1.2 mt-10 -56.82 -45.44 99.95 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.167 -0.958 . . . . 5.6799999999999997 110.447 179.513 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' B' ' 358' ' ' GLU . 1.8 Cg_endo -66.16 7.45 0.37 Allowed 'Trans proline' 0 CA--C 1.537 0.637 0 N-CA-C 109.81 -0.881 . . . . 5.5700000000000003 109.81 -179.861 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.31 0 CA-C-O 117.989 -1.45 . . . . 7.2000000000000002 109.602 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.525 -0.546 . . . . 8.9600000000000009 109.525 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 56.7 mttp 53.62 50.58 16.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 8.1500000000000004 109.589 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' C' ' 323' ' ' LEU . 66.6 mttm 51.67 78.82 0.38 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 7.1500000000000004 109.564 179.714 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.09 7.8 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.903 0 C-N-CA 121.317 1.344 . . . . 4.3499999999999996 110.497 -179.491 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' C' ' 321' ' ' LYS . 10.2 mt -80.51 14.0 2.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.087 -1.008 . . . . 4.6299999999999999 108.936 179.671 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.36 -112.77 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.636 -0.665 . . . . 2.8500000000000001 110.064 -179.501 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 136.1 29.18 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.191 -1.163 . . . . 1.1200000000000001 110.191 -179.363 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.65 143.04 58.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.678 -0.895 . . . . 2.1099999999999999 109.802 179.764 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -95.56 152.12 18.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.248 -0.908 . . . . 0.64000000000000001 109.193 179.448 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.66 -175.06 3.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.354 -0.841 . . . . 0.48999999999999999 109.395 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.73 149.46 29.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.243 -0.91 . . . . 0.46999999999999997 108.742 -179.863 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 56.0 tp -142.5 133.33 25.57 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.22 -0.925 . . . . 0.41999999999999998 109.772 -178.726 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -85.58 128.49 34.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 1.8100000000000001 108.954 179.38 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.96 112.42 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.579 -0.7 . . . . 0.41999999999999998 109.115 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.372 -0.83 . . . . 2.3500000000000001 109.57 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.54 9.6 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.148 -1.181 . . . . 0.40999999999999998 110.148 179.558 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -83.09 -56.52 3.74 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.458 -1.024 . . . . 2.5899999999999999 109.602 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -58.0 -38.21 75.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.239 -0.913 . . . . 2.54 109.442 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.31 -44.01 97.5 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.265 -0.897 . . . . 3.3900000000000001 109.118 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.3 -53.69 54.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.527 -0.733 . . . . 0.46999999999999997 109.561 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -51.69 -38.82 56.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 1.6599999999999999 110.059 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.2 -49.19 76.76 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.60999999999999999 110.081 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.11 -45.29 95.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.142 -0.974 . . . . 0.33000000000000002 109.323 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.3 -42.16 60.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.22 -0.925 . . . . 3.2799999999999998 109.367 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.74 -50.14 75.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 1.78 109.655 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.04 -40.72 94.71 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.19 -0.944 . . . . 0.38 108.636 179.652 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.26 -54.2 49.53 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.505 -0.747 . . . . 1.2 109.659 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.63 -34.78 76.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.408 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.01 -51.66 68.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.317 -0.865 . . . . 0.26000000000000001 109.621 -179.881 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 64.0 mt -61.51 -46.9 88.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.09 -1.006 . . . . 0.40000000000000002 109.044 179.646 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.57 -25.59 62.7 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.542 -0.911 . . . . 2.0899999999999999 108.542 179.524 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -64.86 -58.26 6.66 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.43 -0.952 . . . . 0.75 108.43 179.636 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -59.64 -40.96 89.39 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.852 0.834 . . . . 2.1899999999999999 108.81 -179.669 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.76 -33.43 70.27 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.805 -0.559 . . . . 1.3400000000000001 109.517 179.421 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.13 88.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.71999999999999997 109.781 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.46 -8.89 59.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.8 109.494 -179.89 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.27 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.226 -0.921 . . . . 1.3899999999999999 109.319 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 -58.62 2.05 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.702 -1.359 . . . . 1.6599999999999999 109.702 -179.88 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -84.81 106.2 16.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.229 -1.159 . . . . 4.4500000000000002 109.65 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' C' ' 359' ' ' PRO . 1.2 mt-10 -56.87 -45.46 99.95 Favored Pre-proline 0 N--CA 1.488 1.429 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 110.383 179.55 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' C' ' 358' ' ' GLU . 1.9 Cg_endo -66.23 7.6 0.36 Allowed 'Trans proline' 0 C--O 1.214 -0.683 0 N-CA-C 109.838 -0.87 . . . . 5.5800000000000001 109.838 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.403 0 CA-C-O 118.04 -1.422 . . . . 6.9000000000000004 109.685 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.303 0.573 . . . . 7.3600000000000003 109.523 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 53.58 50.55 16.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -0.88 . . . . 7.1500000000000004 109.621 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' D' ' 323' ' ' LEU . 66.6 mttm 51.65 78.85 0.38 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.297 -0.877 . . . . 6.5 109.535 179.752 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.08 7.76 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.921 0 C-N-CA 121.364 1.376 . . . . 4.5 110.426 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' D' ' 321' ' ' LYS . 10.2 mt -80.47 14.07 2.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.047 -1.033 . . . . 4.3200000000000003 108.999 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.35 -112.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.677 -0.64 . . . . 2.46 110.067 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 136.2 29.51 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.182 -1.167 . . . . 0.96999999999999997 110.182 -179.442 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -63.83 143.11 58.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.672 -0.899 . . . . 1.6699999999999999 109.746 179.785 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -95.67 152.31 18.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 0.60999999999999999 109.119 179.487 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.76 -175.13 3.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.275 -0.891 . . . . 0.56000000000000005 109.404 -179.866 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.2 p -150.8 149.45 29.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 0.42999999999999999 108.755 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.7 tp -142.41 133.36 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -0.864 . . . . 0.34999999999999998 109.8 -178.654 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.57 128.39 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.932 -0.766 . . . . 1.3700000000000001 108.932 179.372 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.84 112.36 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.577 -0.702 . . . . 0.47999999999999998 109.159 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -75.76 151.38 37.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.402 -0.811 . . . . 2.0800000000000001 109.575 -179.928 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.59 139.58 9.62 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.143 -1.183 . . . . 0.40000000000000002 110.143 179.56 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.17 -56.55 3.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.483 -1.01 . . . . 2.6400000000000001 109.541 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -57.94 -38.24 75.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 2.2200000000000002 109.516 -179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.31 -44.03 97.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.291 -0.881 . . . . 2.7400000000000002 109.059 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -56.24 -53.74 53.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.602 -0.686 . . . . 0.42999999999999999 109.626 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -51.69 -38.84 56.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 1.6899999999999999 110.007 -179.692 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.15 -49.18 76.88 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.147 -0.971 . . . . 0.42999999999999999 110.124 -179.408 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.18 -45.29 95.21 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.207 -0.933 . . . . 0.27000000000000002 109.237 -179.871 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.24 -42.28 60.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 2.4500000000000002 109.343 179.69 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.66 -50.26 74.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.89 . . . . 1.75 109.572 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.89 -40.81 94.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.977 . . . . 0.31 108.693 179.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -59.19 -54.31 48.41 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.497 -0.752 . . . . 1.22 109.667 179.651 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -61.64 -34.55 75.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.872 . . . . 1.73 109.404 -179.918 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.523 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.14 -51.67 68.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.896 . . . . 0.28000000000000003 109.625 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.5 -47.29 86.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.146 -0.971 . . . . 0.31 108.911 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.19 -25.66 61.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.645 -0.872 . . . . 1.9099999999999999 108.645 179.49 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.511 HD12 HD12 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -64.95 -58.18 6.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.469 -0.938 . . . . 0.42999999999999999 108.469 179.608 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -59.67 -40.98 89.57 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.866 0.841 . . . . 1.5700000000000001 108.732 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.7 -33.35 70.09 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.323 0.582 . . . . 1.4399999999999999 109.537 179.408 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.694 -179.617 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.28 -9.09 59.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 1.21 109.535 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.54 -2.4 16.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.918 . . . . 1.22 109.406 179.76 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 -58.63 2.05 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.667 -1.373 . . . . 1.5 109.667 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -84.84 106.22 16.2 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.244 -1.151 . . . . 4.1799999999999997 109.693 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' D' ' 359' ' ' PRO . 1.2 mt-10 -56.84 -45.38 99.96 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.228 -0.92 . . . . 5.6699999999999999 110.463 179.544 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -66.3 7.62 0.37 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 109.746 -0.906 . . . . 5.6500000000000004 109.746 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.989 -1.451 . . . . 7.2699999999999996 109.693 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.47 -0.567 . . . . 7.3300000000000001 109.47 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 319' ' ' LYS . 79.8 mttt 57.11 162.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 7.21 109.582 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 322' ' ' PRO . 81.8 tttt 55.96 73.9 0.78 Allowed Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 6.4699999999999998 109.558 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.6 Cg_exo -58.29 -141.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.588 1.526 . . . . 4.5300000000000002 110.012 -179.758 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.95 135.94 41.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.725 -1.235 . . . . 4.3499999999999996 109.3 -179.589 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.41 12.97 2.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.327 -0.858 . . . . 2.48 109.907 -179.442 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.71 138.16 35.21 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.364 -1.495 . . . . 0.97999999999999998 109.364 -179.819 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.31 128.05 34.47 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.563 -0.963 . . . . 1.7 109.707 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -93.44 157.29 16.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.187 -0.946 . . . . 0.60999999999999999 109.246 179.742 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.49 -170.61 2.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.284 -0.885 . . . . 0.57999999999999996 109.695 -179.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.49 149.59 31.01 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.534 -0.913 . . . . 0.41999999999999998 108.534 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.5 tp -142.26 135.8 29.17 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.28 -0.888 . . . . 0.35999999999999999 109.628 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.34 131.37 34.41 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.58 -0.896 . . . . 1.3700000000000001 108.58 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.39 112.35 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.497 -0.752 . . . . 0.46999999999999997 109.533 -179.462 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -74.99 138.78 42.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.635 -0.666 . . . . 2.1000000000000001 109.314 179.524 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.04 135.22 8.82 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.716 -1.354 . . . . 0.41999999999999998 109.716 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.04 -45.76 11.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.308 -1.113 . . . . 2.6800000000000002 109.536 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.74 -42.72 93.82 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.18 -0.95 . . . . 2.2200000000000002 109.656 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.492 ' HG3' HH11 ' A' ' 337' ' ' ARG . 19.3 ttm-85 -66.46 -37.36 84.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.154 -0.966 . . . . 2.77 109.662 -179.751 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.88 -52.36 60.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.437 -0.789 . . . . 0.42999999999999999 109.445 -179.846 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -54.77 -35.61 63.97 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.392 -0.817 . . . . 1.6599999999999999 109.575 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.28 -53.17 53.11 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 0.44 110.515 -179.341 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.09 -43.46 95.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.057 -1.027 . . . . 0.28999999999999998 109.046 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.12 -45.87 61.71 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.286 -0.884 . . . . 2.4399999999999999 109.408 179.744 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.48 -45.88 92.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 1.74 109.713 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.1 -42.46 98.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.267 -0.895 . . . . 0.29999999999999999 109.267 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.65 -50.83 72.41 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 1.22 109.41 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.49 -35.93 82.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.72 109.711 -179.872 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.74 -56.11 26.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.27000000000000002 109.973 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.93 -42.3 97.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.96 . . . . 0.28999999999999998 109.371 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.56 -36.25 78.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.144 -0.973 . . . . 1.9099999999999999 109.258 179.493 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 62.1 tp -63.65 -49.89 71.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.854 . . . . 0.40999999999999998 109.103 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -63.54 -49.13 74.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.377 -0.827 . . . . 1.5600000000000001 108.852 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.14 -35.04 70.94 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.713 -0.617 . . . . 1.4299999999999999 109.346 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.79 66.25 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.378 -0.826 . . . . 0.66000000000000003 109.198 179.905 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.76 -15.5 48.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 1.1799999999999999 109.22 179.797 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.7 -13.52 60.99 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.336 -0.852 . . . . 1.23 109.313 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -13.41 70.09 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.374 -1.49 . . . . 1.54 109.374 179.882 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.41 129.07 35.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.332 -1.099 . . . . 4.1799999999999997 109.15 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 360' ' ' GLY . 53.1 mt-10 -51.04 149.14 6.91 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 5.71 109.09 -179.763 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.65 3.64 0.26 Allowed 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 120.904 1.069 . . . . 5.6100000000000003 110.099 179.425 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.486 -1.446 . . . . 7.2400000000000002 109.486 -179.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.501 -0.555 . . . . 7.3399999999999999 109.501 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 319' ' ' LYS . 79.8 mttt 57.03 162.7 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.866 . . . . 7.1699999999999999 109.592 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 322' ' ' PRO . 81.9 tttt 55.93 73.97 0.77 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 6.4400000000000004 109.535 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' B' ' 321' ' ' LYS . 5.2 Cg_exo -58.25 -141.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.318 -1.06 0 C-N-CA 121.662 1.574 . . . . 4.54 110.027 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 31.7 mt -74.84 136.05 41.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.749 -1.22 . . . . 4.3200000000000003 109.337 -179.688 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.49 12.63 2.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.372 -0.83 . . . . 2.4700000000000002 109.902 -179.504 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.05 138.07 36.63 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.458 -1.457 . . . . 0.94999999999999996 109.458 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.38 128.04 34.4 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.568 -0.96 . . . . 1.6100000000000001 109.792 -179.908 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -93.44 157.24 16.32 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.28 -0.887 . . . . 0.56999999999999995 109.344 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.47 -170.64 2.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.873 . . . . 0.53000000000000003 109.715 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -149.57 149.47 30.75 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.5 -0.926 . . . . 0.38 108.5 -179.979 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.6 tp -142.17 135.86 29.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.281 -0.887 . . . . 0.35999999999999999 109.695 -178.633 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.36 131.45 34.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.522 -0.918 . . . . 1.3600000000000001 108.522 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.44 112.24 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.389 -0.819 . . . . 0.48999999999999999 109.563 -179.477 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.02 138.75 42.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.657 -0.652 . . . . 2.1000000000000001 109.354 179.532 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.16 8.8 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.748 -1.341 . . . . 0.44 109.748 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.13 -45.54 11.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.276 -1.132 . . . . 2.7200000000000002 109.597 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.89 -42.7 94.38 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.204 -0.935 . . . . 2.21 109.587 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.2 ttm-85 -66.41 -37.35 85.02 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.203 -0.935 . . . . 2.79 109.696 -179.802 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -53.87 -52.4 60.58 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.45000000000000001 109.497 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.71 -35.61 63.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.619 179.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.24 -53.18 53.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.42999999999999999 110.488 -179.35 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.21 -43.36 96.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.041 -1.037 . . . . 0.28000000000000003 108.989 -179.652 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.17 -45.93 61.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 2.52 109.355 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.47 -45.78 92.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.239 -0.913 . . . . 1.75 109.782 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.09 -42.47 98.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.31 109.243 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -58.66 -50.88 72.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.213 -0.929 . . . . 1.21 109.439 179.872 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -63.41 -35.98 82.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 109.725 -179.886 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.491 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -56.01 27.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.973 -179.574 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.13 -42.17 98.05 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -0.946 . . . . 0.29999999999999999 109.304 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.63 -36.2 78.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.239 -0.913 . . . . 1.9299999999999999 109.255 179.497 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.71 -49.87 71.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.34 -0.85 . . . . 0.40000000000000002 109.107 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.58 -49.04 74.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.359 -0.838 . . . . 1.5900000000000001 108.851 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.25 -35.03 71.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.646 -0.659 . . . . 1.4299999999999999 109.299 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -24.72 66.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.84 . . . . 0.65000000000000002 109.185 179.879 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -83.69 -15.5 48.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 1.1899999999999999 109.302 179.7 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -13.42 60.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.288 -0.883 . . . . 1.22 109.332 179.874 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -13.44 70.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.357 -1.497 . . . . 1.53 109.357 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.48 129.09 35.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.258 -1.142 . . . . 4.21 109.144 179.826 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 360' ' ' GLY . 53.1 mt-10 -50.98 149.12 6.76 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.191 -0.943 . . . . 5.6799999999999997 109.085 -179.748 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -60.69 3.69 0.26 Allowed 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 121.003 1.136 . . . . 5.5700000000000003 109.989 179.435 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.004 -1.442 . . . . 7.2000000000000002 109.558 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' C' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.497 -0.557 . . . . 8.9600000000000009 109.497 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' C' ' 319' ' ' LYS . 79.7 mttt 57.09 162.66 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.445 -0.784 . . . . 8.1500000000000004 109.605 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' C' ' 322' ' ' PRO . 81.9 tttt 55.86 74.0 0.77 Allowed Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.271 -0.893 . . . . 7.1500000000000004 109.6 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' C' ' 321' ' ' LYS . 5.2 Cg_exo -58.22 -141.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 121.614 1.542 . . . . 4.3499999999999996 110.017 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.83 136.02 41.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.744 -1.222 . . . . 4.6299999999999999 109.277 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.56 12.88 2.27 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.411 -0.806 . . . . 2.8500000000000001 109.857 -179.482 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.39 138.22 36.01 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.42 -1.472 . . . . 1.1200000000000001 109.42 -179.946 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -61.44 128.02 34.28 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.463 -1.022 . . . . 2.1099999999999999 109.656 -179.798 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 157.3 16.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.256 -0.903 . . . . 0.64000000000000001 109.292 179.692 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.43 -170.6 2.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.27 -0.894 . . . . 0.48999999999999999 109.651 -179.501 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.0 p -149.59 149.6 30.94 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.472 -0.936 . . . . 0.46999999999999997 108.472 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.24 135.73 29.14 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.231 -0.918 . . . . 0.41999999999999998 109.7 -178.599 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.24 131.45 34.42 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.588 -0.893 . . . . 1.8100000000000001 108.588 179.157 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.45 112.29 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 121.635 0.731 . . . . 0.41999999999999998 109.548 -179.456 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.05 138.84 42.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.65 -0.656 . . . . 2.3500000000000001 109.338 179.559 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.07 135.21 8.82 Favored Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.673 -1.371 . . . . 0.40999999999999998 109.673 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -85.13 -45.61 11.9 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.361 -1.082 . . . . 2.5899999999999999 109.527 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.83 -42.7 94.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 2.54 109.611 -179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' C' ' 337' ' ' ARG . 19.2 ttm-85 -66.53 -37.27 84.65 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.196 -0.94 . . . . 3.3900000000000001 109.687 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -53.83 -52.48 60.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.359 -0.838 . . . . 0.46999999999999997 109.399 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.83 -35.5 64.01 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.605 -179.943 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.31 -53.14 53.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.294 -0.879 . . . . 0.60999999999999999 110.457 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -60.15 -43.41 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.989 -1.069 . . . . 0.33000000000000002 109.069 -179.739 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -51.1 -45.97 61.7 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.325 -0.86 . . . . 3.2799999999999998 109.349 179.696 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.5 -45.77 92.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 1.78 109.719 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.17 -42.46 98.6 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.132 -0.98 . . . . 0.38 109.227 -179.896 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.6 -50.88 72.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.225 -0.922 . . . . 1.2 109.476 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.44 -35.97 82.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1200000000000001 109.728 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.8 -55.91 29.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.884 . . . . 0.26000000000000001 110.027 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.17 -42.13 98.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 0.40000000000000002 109.354 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.73 -36.13 78.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.227 -0.921 . . . . 2.0899999999999999 109.231 179.522 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.73 -49.9 71.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.75 109.072 179.844 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -63.48 -49.1 74.93 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 2.1899999999999999 108.866 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.18 -35.1 71.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.638 -0.664 . . . . 1.3400000000000001 109.262 179.767 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -24.75 66.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.339 -0.851 . . . . 0.71999999999999997 109.194 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.71 -15.48 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 1.8 109.32 179.72 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.46 60.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.897 . . . . 1.3899999999999999 109.383 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 -13.42 70.06 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.359 -1.496 . . . . 1.6599999999999999 109.359 179.868 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.42 129.06 35.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.275 -1.132 . . . . 4.4500000000000002 109.134 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' C' ' 360' ' ' GLY . 53.1 mt-10 -51.0 149.12 6.81 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.122 -0.986 . . . . 6.1900000000000004 109.014 -179.777 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.61 3.56 0.27 Allowed 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 120.954 1.103 . . . . 5.5800000000000001 110.055 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.902 -1.499 . . . . 6.9000000000000004 109.588 -179.874 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' D' ' 320' ' ' LYS . 98.3 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.449 -0.574 . . . . 7.3600000000000003 109.449 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' D' ' 319' ' ' LYS . 79.7 mttt 57.1 162.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -0.845 . . . . 7.1500000000000004 109.646 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' D' ' 322' ' ' PRO . 81.9 tttt 55.94 73.95 0.77 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 6.5 109.529 179.941 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' D' ' 321' ' ' LYS . 5.3 Cg_exo -58.24 -141.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.593 1.529 . . . . 4.5 110.041 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 32.3 mt -74.91 135.97 41.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.781 -1.2 . . . . 4.3200000000000003 109.245 -179.581 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.42 12.86 2.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 2.46 109.932 -179.556 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.47 138.14 35.75 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.345 -1.502 . . . . 0.96999999999999997 109.345 -179.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.32 128.02 34.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.548 -0.972 . . . . 1.6699999999999999 109.7 -179.863 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -93.45 157.34 16.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.175 -0.953 . . . . 0.60999999999999999 109.238 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.53 -170.56 2.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.56000000000000005 109.69 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -149.56 149.49 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.488 -0.93 . . . . 0.42999999999999999 108.488 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.23 135.8 29.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.296 -0.877 . . . . 0.34999999999999998 109.699 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.28 131.46 34.41 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.593 -0.892 . . . . 1.3700000000000001 108.593 179.161 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.47 112.42 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.416 -0.803 . . . . 0.47999999999999998 109.481 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -75.11 138.66 42.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.371 -0.603 . . . . 2.0800000000000001 109.371 179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 100.16 135.14 8.79 Favored Glycine 0 N--CA 1.498 2.812 0 N-CA-C 109.685 -1.366 . . . . 0.40000000000000002 109.685 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -85.06 -45.61 11.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.341 -1.093 . . . . 2.6400000000000001 109.567 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -59.81 -42.86 94.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.212 -0.93 . . . . 2.2200000000000002 109.522 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' D' ' 337' ' ' ARG . 19.1 ttm-85 -66.27 -37.41 85.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 2.7400000000000002 109.688 -179.773 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -53.88 -52.43 60.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.42999999999999999 109.474 -179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -54.78 -35.46 63.85 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.33 -0.856 . . . . 1.6899999999999999 109.665 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.7 ttp -64.43 -53.02 54.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.361 -0.837 . . . . 0.42999999999999999 110.482 -179.338 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -60.22 -43.44 96.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.27000000000000002 109.067 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.04 -45.91 61.46 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.275 -0.891 . . . . 2.4500000000000002 109.408 179.669 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.53 -45.81 92.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 1.75 109.716 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.09 -42.52 98.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.202 -0.936 . . . . 0.31 109.23 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -58.63 -50.93 72.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.301 -0.875 . . . . 1.22 109.387 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -63.43 -35.98 82.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.311 -0.868 . . . . 1.73 109.754 -179.862 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.487 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.62 -56.02 27.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.28000000000000003 110.035 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.23 -42.11 98.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.165 -0.959 . . . . 0.31 109.289 -179.719 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -60.75 -36.1 78.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.215 -0.928 . . . . 1.9099999999999999 109.203 179.556 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.74 -49.75 71.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.306 -0.871 . . . . 0.42999999999999999 109.106 179.875 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -63.55 -49.15 74.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.45 -0.781 . . . . 1.5700000000000001 108.921 179.605 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.1 -35.17 71.04 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.634 -0.666 . . . . 1.4399999999999999 109.285 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -24.79 66.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.337 -0.852 . . . . 0.64000000000000001 109.23 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.74 -15.48 48.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.864 . . . . 1.21 109.253 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -13.42 60.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.22 109.324 179.839 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.72 -13.38 69.99 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.383 -1.487 . . . . 1.5 109.383 179.873 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.46 129.08 35.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -1.146 . . . . 4.1799999999999997 109.135 179.799 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' D' ' 360' ' ' GLY . 53.1 mt-10 -51.03 149.16 6.84 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.185 -0.947 . . . . 5.6699999999999999 109.029 -179.761 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -60.66 3.56 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.017 1.145 . . . . 5.6500000000000004 110.042 179.421 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.995 -1.447 . . . . 7.2699999999999996 109.495 -179.914 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.328 0.585 . . . . 7.3300000000000001 109.52 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.43 92.44 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -0.923 . . . . 7.21 109.419 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.74 69.89 1.74 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 6.4699999999999998 110.162 179.39 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.29 -148.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 121.38 1.387 . . . . 4.5300000000000002 109.322 179.69 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.6 mm? -77.6 99.74 5.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.968 -1.083 . . . . 4.3499999999999996 109.08 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -83.46 -117.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.671 -0.643 . . . . 2.48 109.811 -179.713 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.56 50.26 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.684 -1.366 . . . . 0.97999999999999998 109.684 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.86 134.27 56.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -1.099 . . . . 1.7 109.767 -179.894 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -94.48 157.6 15.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.237 -0.914 . . . . 0.60999999999999999 109.312 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.08 -171.79 3.03 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.297 -0.877 . . . . 0.57999999999999996 109.355 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.17 28.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.184 -0.947 . . . . 0.41999999999999998 108.75 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.6 tp -141.43 135.22 30.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.308 -0.87 . . . . 0.35999999999999999 109.574 -178.761 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.68 131.42 34.34 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.702 -0.851 . . . . 1.3700000000000001 108.702 179.203 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.5 115.94 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.489 -0.757 . . . . 0.46999999999999997 109.427 -179.525 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.05 151.44 38.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.546 -0.721 . . . . 2.1000000000000001 109.698 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 136.93 3.94 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.273 -1.131 . . . . 0.41999999999999998 110.273 179.347 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.46 -48.43 11.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.364 -1.08 . . . . 2.6800000000000002 109.434 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.36 -40.09 85.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.496 179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.49 -40.65 97.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.27 -0.893 . . . . 2.77 109.398 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.29 -54.62 41.24 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.611 -0.68 . . . . 0.42999999999999999 110.03 -179.78 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.72 -38.31 54.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 110.048 -179.685 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.46 -50.45 71.38 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.201 -0.937 . . . . 0.44 110.125 -179.272 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.12 -45.66 93.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.133 -0.98 . . . . 0.28999999999999998 109.173 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.43 -40.78 60.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.193 -0.942 . . . . 2.4399999999999999 109.467 179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.69 -53.67 54.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.74 109.881 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.15 -38.37 82.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 108.593 179.84 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.23 -55.0 40.49 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 1.22 109.524 179.576 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.35 -31.84 73.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 1.72 109.846 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.31 -51.01 71.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.911 -179.561 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 31.1 mt -61.76 -43.28 99.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.171 -0.956 . . . . 0.28999999999999998 109.313 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.22 -37.75 75.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.343 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.866 HD21 ' NE2' ' B' ' 354' ' ' GLN . 4.5 tp -64.3 -39.97 94.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.282 -0.886 . . . . 0.40999999999999998 108.87 179.868 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.48 -43.93 95.85 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.879 0.847 . . . . 1.5600000000000001 108.806 179.338 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -54.76 -30.86 57.67 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.243 0.544 . . . . 1.4299999999999999 109.72 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.58 40.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.66000000000000003 109.452 -179.94 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.862 ' NE2' HD21 ' B' ' 350' ' ' LEU . 33.3 mt-30 -81.35 0.46 37.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 1.1799999999999999 109.599 -179.912 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.02 -70.3 0.32 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 1.23 109.938 -179.73 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.15 37.93 0.79 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.816 -1.314 . . . . 1.54 109.816 -179.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 355' ' ' ALA . 58.5 tttm -85.14 -81.0 0.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -1.142 . . . . 4.1799999999999997 109.477 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.21 132.68 32.12 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.184 -0.948 . . . . 5.71 109.119 -179.88 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.75 -167.27 0.04 OUTLIER 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.686 0.924 . . . . 5.6100000000000003 109.862 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.908 -1.496 . . . . 7.2400000000000002 109.519 179.96 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.534 -0.543 . . . . 7.3399999999999999 109.534 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.5 92.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.374 -0.829 . . . . 7.1699999999999999 109.359 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.48 70.02 1.73 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.403 -0.81 . . . . 6.4400000000000004 110.175 179.421 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.24 -148.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.441 1.428 . . . . 4.54 109.296 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.474 ' N ' HD22 ' B' ' 323' ' ' LEU . 3.6 mm? -77.59 99.63 5.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.864 -1.148 . . . . 4.3200000000000003 109.127 179.685 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -83.4 -117.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.694 -0.629 . . . . 2.4700000000000002 109.771 -179.683 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.52 50.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.676 -1.37 . . . . 0.94999999999999996 109.676 -179.727 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -60.76 134.15 56.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -1.066 . . . . 1.6100000000000001 109.774 -179.932 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.39 157.64 15.93 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.251 -0.906 . . . . 0.56999999999999995 109.327 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.12 -171.86 3.05 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.53000000000000003 109.332 -179.824 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.92 148.18 28.11 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.162 -0.961 . . . . 0.38 108.837 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.7 tp -141.35 135.18 30.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.38 -0.825 . . . . 0.35999999999999999 109.62 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.68 131.37 34.35 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.684 -0.858 . . . . 1.3600000000000001 108.684 179.2 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.45 115.94 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.537 -0.727 . . . . 0.48999999999999999 109.467 -179.53 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -75.07 151.44 38.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.499 -0.751 . . . . 2.1000000000000001 109.666 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.82 3.89 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.26 -1.136 . . . . 0.44 110.26 179.323 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.38 -48.41 11.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -1.068 . . . . 2.7200000000000002 109.422 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.22 -40.3 85.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.216 -0.927 . . . . 2.21 109.477 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.37 -40.68 97.9 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.25 -0.906 . . . . 2.79 109.386 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.4 -54.61 41.59 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.557 -0.714 . . . . 0.45000000000000001 109.889 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -51.82 -38.27 55.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.952 -179.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.47 -50.45 71.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 110.201 -179.309 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.09 -45.67 93.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.109 -0.994 . . . . 0.28000000000000003 109.23 -179.76 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.44 -40.68 59.87 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.169 -0.957 . . . . 2.52 109.55 179.727 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.64 -53.87 52.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 1.75 109.829 -179.694 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.01 -38.39 82.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.115 -0.991 . . . . 0.31 108.636 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.24 -54.98 40.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.497 -0.752 . . . . 1.21 109.577 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.29 -31.89 73.16 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 1.6899999999999999 109.843 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.35 -50.94 71.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.27000000000000002 109.99 -179.535 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.74 -43.29 99.15 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 0.29999999999999999 109.325 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.26 -37.76 75.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 1.9299999999999999 109.265 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.862 HD21 ' NE2' ' A' ' 354' ' ' GLN . 4.6 tp -64.24 -39.86 94.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 0.40000000000000002 108.877 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.49 -44.04 95.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.403 -0.811 . . . . 1.5900000000000001 108.938 179.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -54.8 -30.76 57.85 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.245 0.545 . . . . 1.4299999999999999 109.744 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.53 40.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.172 -0.955 . . . . 0.65000000000000002 109.486 -179.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.866 ' NE2' HD21 ' A' ' 350' ' ' LEU . 33.3 mt-30 -81.3 0.41 37.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.345 -0.847 . . . . 1.1899999999999999 109.656 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.98 -70.42 0.31 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.29 -0.881 . . . . 1.22 109.883 -179.75 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.13 38.01 0.79 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.853 -1.299 . . . . 1.53 109.853 -179.622 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' B' ' 355' ' ' ALA . 58.4 tttm -85.28 -80.93 0.21 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -1.18 . . . . 4.21 109.399 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.29 132.71 32.89 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.274 -0.891 . . . . 5.6799999999999997 109.152 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.72 -167.3 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 120.657 0.905 . . . . 5.5700000000000003 109.891 179.659 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.008 -1.44 . . . . 7.2000000000000002 109.528 179.933 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.492 -0.558 . . . . 8.9600000000000009 109.492 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.55 92.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 8.1500000000000004 109.467 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.54 69.99 1.73 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 7.1500000000000004 110.262 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.26 -148.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 121.492 1.461 . . . . 4.3499999999999996 109.3 179.734 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.6 mm? -77.58 99.7 5.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.954 -1.092 . . . . 4.6299999999999999 109.034 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.41 -117.68 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.704 -0.622 . . . . 2.8500000000000001 109.833 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.53 162.6 50.05 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.74 -1.344 . . . . 1.1200000000000001 109.74 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.79 134.23 56.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -1.092 . . . . 2.1099999999999999 109.819 -179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.45 157.67 15.9 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.234 -0.917 . . . . 0.64000000000000001 109.296 179.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -137.09 -171.83 3.04 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.298 -0.876 . . . . 0.48999999999999999 109.403 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 27.4 p -150.89 148.25 28.21 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.295 -0.878 . . . . 0.46999999999999997 108.752 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.43 135.18 30.09 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.354 -0.841 . . . . 0.41999999999999998 109.619 -178.729 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.71 131.47 34.33 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.609 -0.886 . . . . 1.8100000000000001 108.609 179.217 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.4 mt -123.56 115.95 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.486 -0.759 . . . . 0.41999999999999998 109.485 -179.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -75.04 151.47 38.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.473 -0.767 . . . . 2.3500000000000001 109.675 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.3 136.87 3.91 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.273 -1.131 . . . . 0.40999999999999998 110.273 179.324 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -82.41 -48.47 11.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.408 -1.054 . . . . 2.5899999999999999 109.456 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.211 -0.931 . . . . 2.54 109.501 179.921 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.42 -40.65 97.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.25 -0.906 . . . . 3.3900000000000001 109.46 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -55.34 -54.68 40.59 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.484 -0.76 . . . . 0.46999999999999997 110.01 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -51.68 -38.3 54.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.922 . . . . 1.6599999999999999 110.053 -179.726 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.43 -50.49 71.3 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.183 -0.948 . . . . 0.60999999999999999 110.155 -179.321 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.08 -45.71 93.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.242 -0.912 . . . . 0.33000000000000002 109.189 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.39 -40.83 60.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.147 -0.971 . . . . 3.2799999999999998 109.447 179.745 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.52 -53.85 52.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.228 -0.92 . . . . 1.78 109.9 -179.659 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.04 -38.42 82.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.139 -0.976 . . . . 0.38 108.63 179.859 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -59.15 -54.99 40.65 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.482 -0.761 . . . . 1.2 109.56 179.583 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.37 -31.89 73.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 2.1200000000000001 109.789 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.29 -51.0 71.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 0.26000000000000001 109.906 -179.497 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 0.40000000000000002 109.354 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -58.27 -37.76 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.269 -0.894 . . . . 2.0899999999999999 109.263 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.862 HD21 ' NE2' ' D' ' 354' ' ' GLN . 4.5 tp -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.857 . . . . 0.75 108.851 179.894 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -63.36 -44.17 95.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.351 -0.843 . . . . 2.1899999999999999 108.987 179.135 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.81 -30.71 57.79 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.218 0.533 . . . . 1.3400000000000001 109.787 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -52.51 40.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.71999999999999997 109.482 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.867 ' NE2' HD21 ' D' ' 350' ' ' LEU . 33.3 mt-30 -81.29 0.37 37.28 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.304 -0.872 . . . . 1.8 109.617 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.97 -70.36 0.31 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.3899999999999999 109.862 -179.674 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.18 37.96 0.8 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.834 -1.307 . . . . 1.6599999999999999 109.834 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' C' ' 355' ' ' ALA . 58.4 tttm -85.14 -81.0 0.2 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.222 -1.164 . . . . 4.4500000000000002 109.445 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.31 132.7 33.09 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 6.1900000000000004 109.169 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.7 -167.36 0.04 OUTLIER 'Trans proline' 0 C--O 1.216 -0.624 0 C-N-CA 120.72 0.947 . . . . 5.5800000000000001 109.885 179.678 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 N-CA-C 109.502 -1.439 . . . . 6.9000000000000004 109.502 179.947 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.305 0.574 . . . . 7.3600000000000003 109.487 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 53.49 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.289 -0.882 . . . . 7.1500000000000004 109.453 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 55.62 69.91 1.75 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 6.5 110.203 179.43 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.23 -148.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.442 1.428 . . . . 4.5 109.317 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.6 mm? -77.7 99.71 5.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.91 -1.119 . . . . 4.3200000000000003 109.063 179.76 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.38 -117.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.703 -0.623 . . . . 2.46 109.804 -179.692 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 162.62 49.96 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.738 -1.345 . . . . 0.96999999999999997 109.738 -179.809 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.89 134.18 56.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.375 -1.073 . . . . 1.6699999999999999 109.737 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -94.51 157.58 15.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.215 -0.928 . . . . 0.60999999999999999 109.289 179.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.94 -171.77 3.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.338 -0.851 . . . . 0.56000000000000005 109.398 -179.764 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 27.5 p -150.96 148.26 28.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.163 -0.96 . . . . 0.42999999999999999 108.75 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.8 tp -141.48 135.23 30.05 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.831 . . . . 0.34999999999999998 109.544 -178.708 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -85.73 131.42 34.33 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.716 -0.846 . . . . 1.3700000000000001 108.716 179.197 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.5 mt -123.53 115.94 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.436 -0.79 . . . . 0.47999999999999998 109.432 -179.504 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -74.94 151.39 38.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.45 -0.781 . . . . 2.0800000000000001 109.722 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.36 136.99 3.98 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.172 -1.171 . . . . 0.40000000000000002 110.172 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -82.58 -48.36 11.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.385 -1.067 . . . . 2.6400000000000001 109.502 179.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -59.27 -40.24 85.42 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.291 -0.881 . . . . 2.2200000000000002 109.492 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -63.38 -40.7 97.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.296 -0.878 . . . . 2.7400000000000002 109.409 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -55.34 -54.58 41.85 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 109.958 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -51.83 -38.25 55.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.981 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.9 ttp -62.49 -50.35 71.76 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 110.227 -179.316 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -61.14 -45.62 93.89 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.27000000000000002 109.211 -179.775 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -51.45 -40.85 60.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.927 . . . . 2.4500000000000002 109.441 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.54 -53.85 52.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.75 109.863 -179.597 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.07 -38.36 82.64 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.129 -0.982 . . . . 0.31 108.584 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -59.19 -54.96 40.98 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.53 -0.731 . . . . 1.22 109.548 179.592 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.45 -31.75 73.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.842 . . . . 1.73 109.857 -179.691 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.74 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.34 -51.06 71.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.28000000000000003 109.906 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.66 -43.28 99.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 0.31 109.363 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 1.9099999999999999 109.287 179.881 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.867 HD21 ' NE2' ' C' ' 354' ' ' GLN . 4.5 tp -64.29 -40.04 95.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.42999999999999999 108.906 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -63.42 -43.98 95.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.335 -0.853 . . . . 1.5700000000000001 108.831 179.296 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -54.78 -30.79 57.66 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.241 0.544 . . . . 1.4399999999999999 109.77 -179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -52.56 40.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.64000000000000001 109.477 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.862 ' NE2' HD21 ' C' ' 350' ' ' LEU . 33.3 mt-30 -81.31 0.39 37.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 1.21 109.622 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.96 -70.34 0.31 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.307 -0.871 . . . . 1.22 109.926 -179.724 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -73.2 38.0 0.81 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.837 -1.305 . . . . 1.5 109.837 -179.621 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' D' ' 355' ' ' ALA . 58.4 tttm -85.12 -81.01 0.2 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -1.132 . . . . 4.1799999999999997 109.519 179.908 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -51.21 132.69 32.06 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.288 -0.882 . . . . 5.6699999999999999 109.152 -179.884 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.73 -167.28 0.04 OUTLIER 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 120.708 0.939 . . . . 5.6500000000000004 109.829 179.695 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.99 -1.45 . . . . 7.2699999999999996 109.532 179.888 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' A' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.5 -0.556 . . . . 7.3300000000000001 109.5 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 67.06 -13.56 0.2 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.707 . . . . 7.21 109.953 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 319' ' ' LYS . 33.6 tttm 57.38 76.0 0.51 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.104 -0.998 . . . . 6.4699999999999998 109.383 179.765 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.2 -151.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.909 0 C-N-CA 121.552 1.502 . . . . 4.5300000000000002 110.432 -179.256 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.53 113.93 16.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 4.3499999999999996 109.437 -179.77 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' A' ' 321' ' ' LYS . 6.4 m-20 -80.6 -118.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.284 -0.885 . . . . 2.48 109.651 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 155.28 53.41 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.76 -1.336 . . . . 0.97999999999999998 109.76 -179.745 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.11 140.75 55.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.316 -1.108 . . . . 1.7 109.566 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -94.43 151.66 19.21 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.325 -0.86 . . . . 0.60999999999999999 109.613 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.68 -170.43 2.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 109.393 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.98 148.04 27.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.547 -0.909 . . . . 0.41999999999999998 108.547 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.68 135.26 27.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.335 -0.853 . . . . 0.35999999999999999 109.928 -178.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -84.55 127.07 33.85 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.394 -0.965 . . . . 1.3700000000000001 108.394 179.097 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.62 111.32 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.426 -0.796 . . . . 0.46999999999999997 109.397 -179.543 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.9 ttt-85 -75.27 152.47 38.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.577 -0.702 . . . . 2.1000000000000001 109.84 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.03 134.26 4.01 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.859 -1.297 . . . . 0.41999999999999998 109.859 179.723 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.04 -46.71 17.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.402 -1.058 . . . . 2.6800000000000002 109.374 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.03 -44.16 87.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 2.2200000000000002 109.093 179.817 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -62.32 -43.56 98.53 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.249 -0.907 . . . . 2.77 108.961 179.425 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.45 11.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.67 -0.644 . . . . 0.42999999999999999 109.686 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -52.08 -40.24 60.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.358 -0.838 . . . . 1.6599999999999999 109.696 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.03 -51.66 65.87 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.29 -0.881 . . . . 0.44 110.059 -179.625 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -47.34 86.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.14 -0.975 . . . . 0.28999999999999998 108.857 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.44 64.38 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.377 -0.827 . . . . 2.4399999999999999 109.599 179.772 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.0 -43.43 95.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.247 -0.908 . . . . 1.74 109.984 -179.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.18 -40.51 94.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.127 -0.983 . . . . 0.29999999999999999 109.069 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.44 -54.81 42.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.305 -0.872 . . . . 1.22 109.439 179.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.411 ' N ' ' CD ' ' A' ' 346' ' ' GLU . 0.4 OUTLIER -62.79 -36.71 84.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.26 -0.9 . . . . 1.72 109.724 -179.891 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.08 51.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.27000000000000002 109.928 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.69 -42.87 99.51 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.28999999999999998 109.478 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.66 -34.51 72.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.59 179.902 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.03 -51.54 63.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 0.40999999999999998 109.186 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.4 -46.26 90.88 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.274 -0.891 . . . . 1.5600000000000001 109.217 179.836 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.23 -32.09 66.18 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.595 -0.691 . . . . 1.4299999999999999 109.589 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.6 80.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.66000000000000003 109.804 -179.701 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.54 -6.21 58.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.897 . . . . 1.1799999999999999 109.615 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -7.04 45.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.942 . . . . 1.23 109.621 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 -19.88 57.03 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.545 -1.422 . . . . 1.54 109.545 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -87.9 144.84 26.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.222 -1.163 . . . . 4.1799999999999997 109.174 179.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.07 152.56 3.78 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 5.71 109.252 -179.628 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.12 154.94 25.85 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.126 1.217 . . . . 5.6100000000000003 110.179 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.05 -1.417 . . . . 7.2400000000000002 109.641 179.661 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' B' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.486 -0.561 . . . . 7.3399999999999999 109.486 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 69.2 tttt 67.12 -13.78 0.2 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 7.1699999999999999 109.934 -179.877 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' B' ' 319' ' ' LYS . 33.5 tttm 57.46 75.99 0.51 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.988 . . . . 6.4400000000000004 109.392 179.839 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.22 -152.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.548 1.498 . . . . 4.54 110.404 -179.225 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.48 113.83 16.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 4.3200000000000003 109.42 -179.757 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.416 ' CG ' ' NZ ' ' B' ' 321' ' ' LYS . 6.4 m-20 -80.64 -118.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.399 -0.813 . . . . 2.4700000000000002 109.696 -179.834 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 155.29 53.35 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.838 -1.305 . . . . 0.94999999999999996 109.838 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.23 140.79 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.4 -1.059 . . . . 1.6100000000000001 109.532 -179.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -94.31 151.69 19.23 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.228 -0.92 . . . . 0.56999999999999995 109.651 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -135.86 -170.46 2.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.329 -0.857 . . . . 0.53000000000000003 109.386 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -152.03 147.83 26.97 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.552 -0.907 . . . . 0.38 108.552 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 64.8 tp -142.49 135.32 28.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.214 -0.929 . . . . 0.35999999999999999 109.984 -178.703 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.56 127.09 33.87 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.428 -0.953 . . . . 1.3600000000000001 108.428 179.089 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.4 mt -123.61 111.23 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.529 -0.732 . . . . 0.48999999999999999 109.377 -179.454 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.9 ttt-85 -75.22 152.48 38.34 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.555 -0.716 . . . . 2.1000000000000001 109.794 -179.9 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.0 134.19 3.96 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.863 -1.295 . . . . 0.44 109.863 179.704 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.99 -46.66 17.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.312 -1.111 . . . . 2.7200000000000002 109.381 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.02 -44.23 87.19 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.234 -0.916 . . . . 2.21 109.102 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -62.24 -43.53 98.62 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.296 -0.878 . . . . 2.79 109.005 179.413 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.05 -57.45 11.65 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.629 -0.669 . . . . 0.45000000000000001 109.654 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.13 61.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.6799999999999999 109.645 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.13 -51.66 65.62 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 0.42999999999999999 110.01 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.17 -47.48 85.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.28000000000000003 108.823 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.96 -44.45 63.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.343 -0.848 . . . . 2.52 109.657 179.744 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.02 -43.44 95.28 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.226 -0.922 . . . . 1.75 109.979 -179.651 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.19 -40.56 94.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.182 -0.949 . . . . 0.31 109.009 -179.965 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.36 -54.87 42.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 1.21 109.461 179.645 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.415 ' CD ' ' N ' ' B' ' 346' ' ' GLU . 0.4 OUTLIER -62.71 -36.77 84.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 1.6899999999999999 109.741 -179.918 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.03 51.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.27000000000000002 109.941 -179.592 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.72 -42.86 99.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.29999999999999999 109.436 -179.788 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.71 -34.52 73.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.582 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -63.93 -51.65 63.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.268 -0.895 . . . . 0.40000000000000002 109.125 -179.894 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -61.37 -46.22 91.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.5900000000000001 109.232 179.863 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 40.5 m-20 -57.27 -32.08 66.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.568 -0.708 . . . . 1.4299999999999999 109.546 179.938 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.59 80.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.65000000000000002 109.782 -179.656 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.57 -6.15 58.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.1899999999999999 109.629 -179.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.81 -7.02 45.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.231 -0.918 . . . . 1.22 109.688 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.75 -19.88 57.13 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.588 -1.405 . . . . 1.53 109.588 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -87.9 144.79 26.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.21 -1.17 . . . . 4.21 109.107 179.73 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.02 152.44 3.78 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.945 . . . . 5.6799999999999997 109.263 -179.721 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -56.03 154.95 25.34 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.115 1.21 . . . . 5.5700000000000003 110.173 179.433 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.027 -1.429 . . . . 7.2000000000000002 109.651 179.695 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' C' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.47 -0.567 . . . . 8.9600000000000009 109.47 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 69.3 tttt 67.07 -13.65 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.568 -0.708 . . . . 8.1500000000000004 109.957 -179.867 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' C' ' 319' ' ' LYS . 33.5 tttm 57.38 76.05 0.51 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.094 -1.004 . . . . 7.1500000000000004 109.384 179.793 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.2 -151.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.322 -0.858 0 C-N-CA 121.582 1.521 . . . . 4.3499999999999996 110.386 -179.235 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.57 113.87 16.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.313 -0.867 . . . . 4.6299999999999999 109.361 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.417 ' CG ' ' NZ ' ' C' ' 321' ' ' LYS . 6.3 m-20 -80.62 -118.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.847 . . . . 2.8500000000000001 109.758 -179.861 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.28 53.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.723 -1.351 . . . . 1.1200000000000001 109.723 -179.75 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.16 140.69 55.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.357 -1.084 . . . . 2.1099999999999999 109.565 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -94.32 151.79 19.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -0.907 . . . . 0.64000000000000001 109.632 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -135.79 -170.49 2.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.346 -0.846 . . . . 0.48999999999999999 109.354 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -151.98 148.06 27.29 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.531 -0.915 . . . . 0.46999999999999997 108.531 179.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.9 tp -142.72 135.24 27.78 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.235 -0.916 . . . . 0.41999999999999998 109.961 -178.688 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 127.16 33.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.412 -0.958 . . . . 1.8100000000000001 108.412 179.127 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.67 111.28 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.491 -0.756 . . . . 0.41999999999999998 109.337 -179.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.46 38.12 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.625 -0.672 . . . . 2.3500000000000001 109.813 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.06 134.25 4.01 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.81 -1.316 . . . . 0.40999999999999998 109.81 179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.0 -46.78 17.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -1.14 . . . . 2.5899999999999999 109.343 179.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.05 -44.04 87.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.28 -0.887 . . . . 2.54 109.134 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -62.39 -43.51 98.65 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.298 -0.876 . . . . 3.3900000000000001 108.944 179.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -55.07 -57.4 11.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.652 -0.655 . . . . 0.46999999999999997 109.684 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -52.15 -40.15 60.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 109.677 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.2 ttp -63.11 -51.66 65.67 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.366 -0.834 . . . . 0.60999999999999999 110.052 -179.622 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.19 -47.39 86.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.33000000000000002 108.877 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -52.09 -44.37 64.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.4 -0.812 . . . . 3.2799999999999998 109.637 179.781 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.93 -43.58 94.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.305 -0.872 . . . . 1.78 110.006 -179.733 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.09 -40.45 93.75 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.38 109.122 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.48 -54.85 42.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.355 -0.841 . . . . 1.2 109.471 179.64 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' C' ' 346' ' ' GLU . 0.4 OUTLIER -62.78 -36.73 84.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.348 -0.845 . . . . 2.1200000000000001 109.733 -179.902 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.16 -54.02 51.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.26000000000000001 109.981 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.68 -42.78 99.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.221 -0.924 . . . . 0.40000000000000002 109.527 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.75 -34.6 73.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.175 -0.953 . . . . 2.0899999999999999 109.525 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.497 ' O ' HD23 ' C' ' 350' ' ' LEU . 2.1 tt -63.89 -51.63 63.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -0.898 . . . . 0.75 109.181 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.33 -46.27 90.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.32 -0.863 . . . . 2.1899999999999999 109.271 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 40.7 m-20 -57.17 -32.14 66.12 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.629 -0.669 . . . . 1.3400000000000001 109.577 179.873 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.59 80.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.71999999999999997 109.841 -179.664 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -81.59 -6.1 58.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 1.8 109.626 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.85 -6.99 45.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 1.3899999999999999 109.546 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.85 56.91 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.457 -1.457 . . . . 1.6599999999999999 109.457 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -87.96 144.79 26.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.15 . . . . 4.4500000000000002 109.12 179.724 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -51.02 152.45 3.78 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.171 -0.955 . . . . 6.1900000000000004 109.222 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.07 154.94 25.56 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 121.065 1.177 . . . . 5.5800000000000001 110.189 179.459 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.987 -1.451 . . . . 6.9000000000000004 109.692 179.75 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' D' ' 321' ' ' LYS . 92.7 mttt . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.515 -0.55 . . . . 7.3600000000000003 109.515 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 69.3 tttt 67.1 -13.69 0.2 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.517 -0.739 . . . . 7.1500000000000004 109.889 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' D' ' 319' ' ' LYS . 33.5 tttm 57.38 76.0 0.51 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 6.5 109.433 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.12 -151.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 121.574 1.516 . . . . 4.5 110.487 -179.286 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.3 mt -78.58 113.92 17.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.33 -0.856 . . . . 4.3200000000000003 109.393 -179.778 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.419 ' CG ' ' NZ ' ' D' ' 321' ' ' LYS . 6.4 m-20 -80.66 -118.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.46 109.674 -179.774 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.54 155.36 53.35 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.808 -1.317 . . . . 0.96999999999999997 109.808 -179.804 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.26 140.83 55.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.351 -1.087 . . . . 1.6699999999999999 109.526 -179.958 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -94.34 151.62 19.27 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.251 -0.906 . . . . 0.60999999999999999 109.621 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -135.73 -170.39 2.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.381 -0.825 . . . . 0.56000000000000005 109.364 179.876 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -152.06 147.92 27.07 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.532 -0.914 . . . . 0.42999999999999999 108.532 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 64.7 tp -142.52 135.43 28.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -0.839 . . . . 0.34999999999999998 109.957 -178.711 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -84.65 127.09 33.9 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.459 -0.941 . . . . 1.3700000000000001 108.459 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.61 111.26 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.506 -0.746 . . . . 0.47999999999999998 109.357 -179.433 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.412 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.9 ttt-85 -75.34 152.48 38.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.624 -0.672 . . . . 2.0800000000000001 109.806 -179.905 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.96 134.25 3.96 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.887 -1.285 . . . . 0.40000000000000002 109.887 179.81 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -78.97 -46.76 17.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -1.135 . . . . 2.6400000000000001 109.407 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.01 -44.16 87.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 2.2200000000000002 109.047 179.809 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -62.27 -43.63 98.38 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.282 -0.886 . . . . 2.7400000000000002 108.929 179.485 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -55.0 -57.41 11.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.645 -0.659 . . . . 0.42999999999999999 109.698 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -52.17 -40.22 61.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.873 . . . . 1.6899999999999999 109.636 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.1 ttp -63.01 -51.68 65.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.25 -0.906 . . . . 0.42999999999999999 110.059 -179.614 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.18 -47.44 86.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.27000000000000002 108.896 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -51.97 -44.46 64.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 2.4500000000000002 109.647 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.97 -43.51 95.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 1.75 110.076 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.06 -40.5 93.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.12 -0.988 . . . . 0.31 109.099 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.43 -54.9 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.273 -0.892 . . . . 1.22 109.373 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' D' ' 346' ' ' GLU . 0.4 OUTLIER -62.8 -36.73 84.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.873 . . . . 1.73 109.745 -179.844 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.19 -54.02 51.65 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.139 -0.976 . . . . 0.28000000000000003 109.933 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.68 -42.87 99.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.31 109.462 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.68 -34.5 72.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.249 -0.907 . . . . 1.9099999999999999 109.617 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.499 HD23 ' O ' ' D' ' 350' ' ' LEU . 2.1 tt -63.97 -51.63 63.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.42999999999999999 109.132 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -61.44 -46.22 91.01 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.314 -0.866 . . . . 1.5700000000000001 109.206 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -57.2 -32.13 66.17 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.554 -0.716 . . . . 1.4399999999999999 109.541 179.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -44.54 80.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.172 -0.955 . . . . 0.64000000000000001 109.802 -179.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 -6.16 58.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 1.21 109.65 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.77 -7.06 45.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 1.22 109.645 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.8 -19.8 57.19 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.495 -1.442 . . . . 1.5 109.495 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -88.02 144.8 26.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -1.172 . . . . 4.1799999999999997 109.047 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.04 152.54 3.75 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.24 -0.912 . . . . 5.6699999999999999 109.277 -179.673 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -56.07 154.96 25.51 Favored 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 121.145 1.23 . . . . 5.6500000000000004 110.119 179.479 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 118.051 -1.416 . . . . 7.2699999999999996 109.635 179.636 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.294 0.568 . . . . 7.3300000000000001 109.511 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 52.96 -141.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.275 -0.891 . . . . 7.21 109.538 -179.91 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.24 70.1 2.07 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.257 -0.902 . . . . 6.4699999999999998 109.428 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.41 97.79 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.537 1.492 . . . . 4.5300000000000002 110.175 -179.43 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.8 mt -81.15 38.56 0.48 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.391 -0.818 . . . . 4.3499999999999996 109.186 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.58 167.94 20.96 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.691 -0.63 . . . . 2.48 109.563 -179.624 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.45 ' H ' ' NE ' ' C' ' 333' ' ' ARG . . . -67.89 177.27 23.65 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.033 -1.227 . . . . 0.97999999999999998 110.033 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.78 142.93 48.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.478 -1.013 . . . . 1.7 109.711 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.68 155.94 16.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.279 -0.888 . . . . 0.60999999999999999 109.79 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -135.86 -168.68 2.26 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.515 -0.741 . . . . 0.57999999999999996 109.099 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.35 152.46 33.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -0.918 . . . . 0.41999999999999998 108.86 -179.763 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 69.2 tp -143.04 135.74 27.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 0.35999999999999999 109.883 -178.749 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.06 127.35 34.18 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.711 -0.848 . . . . 1.3700000000000001 108.711 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.24 112.01 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.533 -0.729 . . . . 0.46999999999999997 109.073 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.452 ' NE ' ' H ' ' C' ' 325' ' ' GLY . 1.5 tmt_? -73.9 145.14 45.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.63 -0.669 . . . . 2.1000000000000001 110.533 -179.313 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.65 131.61 5.31 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.361 -1.096 . . . . 0.41999999999999998 110.361 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.48 ' HG3' HH11 ' A' ' 335' ' ' ARG . 3.3 ttm-85 -80.01 -39.33 30.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 2.6800000000000002 108.878 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.58 -49.38 77.78 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.243 -0.91 . . . . 2.2200000000000002 109.205 179.688 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 10.8 ttm-85 -63.97 -36.37 83.75 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.255 -0.903 . . . . 2.77 109.741 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -51.99 -52.02 53.4 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.451 -0.78 . . . . 0.42999999999999999 109.144 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 342' ' ' ARG . 72.1 mm-40 -53.94 -38.56 65.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 1.6599999999999999 109.297 179.383 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.45 -55.97 22.58 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.387 -0.82 . . . . 0.44 110.233 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.64 -48.23 82.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.28999999999999998 109.28 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 339' ' ' GLU . 8.6 ttm180 -52.26 -39.34 60.25 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.19 -0.944 . . . . 2.4399999999999999 109.845 -179.804 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.22 -43.25 99.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.185 -0.947 . . . . 1.74 110.293 -179.433 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.34 -41.89 94.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.29999999999999999 109.503 -179.552 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.74 -52.76 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.22 109.85 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 1.3 mp0 -62.46 -38.96 91.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.308 -0.87 . . . . 1.72 109.76 -179.496 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.21 66.4 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.27000000000000002 109.687 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.41 -44.51 96.27 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.422 -0.799 . . . . 0.28999999999999998 109.38 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.95 -34.49 71.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.325 -0.859 . . . . 1.9099999999999999 109.417 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.35 -49.72 70.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.40999999999999998 109.187 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.36 -48.55 75.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.413 -0.804 . . . . 1.5600000000000001 108.932 179.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.61 -29.49 64.57 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.658 -0.651 . . . . 1.4299999999999999 109.652 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.62 78.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.66000000000000003 109.394 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -82.02 -5.16 58.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.1799999999999999 109.482 179.959 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.61 -1.73 12.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.288 -0.882 . . . . 1.23 109.51 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.02 -3.47 90.68 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.435 -1.466 . . . . 1.54 109.435 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -85.72 24.19 1.28 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -1.127 . . . . 4.1799999999999997 109.553 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.457 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.3 mm-40 -51.84 -51.83 66.96 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 5.71 110.063 179.841 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -61.94 100.66 0.21 Allowed 'Trans proline' 0 C--N 1.324 -0.761 0 N-CA-C 109.598 -0.962 . . . . 5.6100000000000003 109.598 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.494 -1.442 . . . . 7.2400000000000002 109.494 -179.952 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.518 -0.549 . . . . 7.3399999999999999 109.518 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 53.0 -141.29 0.87 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.863 . . . . 7.1699999999999999 109.538 -179.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.35 70.06 2.08 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.929 . . . . 6.4400000000000004 109.422 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.43 97.75 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 121.57 1.513 . . . . 4.54 110.212 -179.419 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.08 38.51 0.47 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.461 -0.774 . . . . 4.3200000000000003 109.234 179.611 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.6 167.74 21.3 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.625 -0.672 . . . . 2.4700000000000002 109.588 -179.588 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.467 ' H ' ' NE ' ' D' ' 333' ' ' ARG . . . -67.5 177.35 21.76 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.083 -1.207 . . . . 0.94999999999999996 110.083 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.95 142.94 49.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.446 -1.032 . . . . 1.6100000000000001 109.735 179.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -95.59 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.289 -0.882 . . . . 0.56999999999999995 109.848 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -135.78 -168.79 2.28 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.445 -0.784 . . . . 0.53000000000000003 109.113 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 38.4 p -151.29 152.39 33.13 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.214 -0.929 . . . . 0.38 108.916 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.91 135.79 27.97 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.307 -0.871 . . . . 0.35999999999999999 109.884 -178.743 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.16 127.39 34.24 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.643 -0.873 . . . . 1.3600000000000001 108.643 179.212 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.27 112.07 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.477 -0.764 . . . . 0.48999999999999999 109.061 -179.561 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.467 ' NE ' ' H ' ' D' ' 325' ' ' GLY . 1.5 tmt_? -73.87 145.04 45.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.566 -0.709 . . . . 2.1000000000000001 110.524 -179.288 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 131.51 5.32 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.428 -1.069 . . . . 0.44 110.428 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' B' ' 335' ' ' ARG . 3.3 ttm-85 -80.03 -39.15 30.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.536 -0.979 . . . . 2.7200000000000002 108.966 179.312 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.69 -49.37 77.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.252 -0.905 . . . . 2.21 109.168 179.664 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.475 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 10.7 ttm-85 -63.99 -36.39 83.83 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.237 -0.915 . . . . 2.79 109.654 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -52.08 -51.89 54.81 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.351 -0.843 . . . . 0.45000000000000001 109.162 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' B' ' 342' ' ' ARG . 72.3 mm-40 -53.98 -38.58 65.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.248 179.371 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -62.39 -55.99 22.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 110.211 -179.543 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.7 -48.33 82.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.28000000000000003 109.213 179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' B' ' 339' ' ' GLU . 8.6 ttm180 -52.17 -39.38 59.98 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.266 -0.896 . . . . 2.52 109.848 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.26 -43.21 99.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.229 -0.919 . . . . 1.75 110.315 -179.439 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.3 -41.93 94.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.118 -0.989 . . . . 0.31 109.523 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.75 -52.77 64.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.21 109.864 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.91 91.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 109.815 -179.535 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.31 65.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.116 -0.99 . . . . 0.27000000000000002 109.671 -179.631 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.31 -44.5 96.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.342 -0.849 . . . . 0.29999999999999999 109.463 -179.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.91 -34.51 71.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.403 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 50.7 tp -64.39 -49.73 70.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.40000000000000002 109.058 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.39 -48.55 75.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.896 -0.779 . . . . 1.5900000000000001 108.896 179.66 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.58 -29.52 64.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.68 -0.638 . . . . 1.4299999999999999 109.661 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.55 78.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.198 -0.939 . . . . 0.65000000000000002 109.435 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -82.02 -5.16 58.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.298 -0.876 . . . . 1.1899999999999999 109.515 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -1.84 12.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 1.22 109.492 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.95 -3.57 90.6 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.459 -1.456 . . . . 1.53 109.459 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -85.64 24.23 1.26 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -1.136 . . . . 4.21 109.561 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.3 mm-40 -51.87 -51.89 66.39 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.183 -0.948 . . . . 5.6799999999999997 110.037 179.824 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -61.87 100.64 0.2 Allowed 'Trans proline' 0 C--N 1.323 -0.774 0 N-CA-C 109.578 -0.97 . . . . 5.5700000000000003 109.578 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.962 -1.466 . . . . 7.2000000000000002 109.491 -179.945 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.475 -0.565 . . . . 8.9600000000000009 109.475 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 53.04 -141.27 0.87 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.326 -0.859 . . . . 8.1500000000000004 109.485 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 52.25 70.14 2.05 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.176 -0.952 . . . . 7.1500000000000004 109.415 -179.907 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.5 97.8 0.15 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 C-N-CA 121.51 1.474 . . . . 4.3499999999999996 110.225 -179.475 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.13 38.55 0.47 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.455 -0.778 . . . . 4.6299999999999999 109.171 179.65 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.6 167.87 21.07 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.668 -0.645 . . . . 2.8500000000000001 109.593 -179.616 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.452 ' H ' ' NE ' ' A' ' 333' ' ' ARG . . . -67.7 177.36 22.59 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.11 -1.196 . . . . 1.1200000000000001 110.11 -179.596 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.89 142.95 49.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.411 -1.052 . . . . 2.1099999999999999 109.808 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.69 155.92 16.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.862 . . . . 0.64000000000000001 109.835 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.83 -168.88 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.459 -0.775 . . . . 0.48999999999999999 109.123 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 38.0 p -151.25 152.43 33.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.204 -0.935 . . . . 0.46999999999999997 108.928 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 69.4 tp -142.97 135.78 27.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.286 -0.884 . . . . 0.41999999999999998 109.886 -178.697 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.19 127.31 34.23 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.694 -0.854 . . . . 1.8100000000000001 108.694 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.2 112.11 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.534 -0.729 . . . . 0.41999999999999998 109.039 -179.562 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.45 ' NE ' ' H ' ' A' ' 325' ' ' GLY . 1.5 tmt_? -73.94 145.13 44.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.547 -0.72 . . . . 2.3500000000000001 110.474 -179.305 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.64 131.52 5.28 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.454 -1.059 . . . . 0.40999999999999998 110.454 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' C' ' 335' ' ' ARG . 3.3 ttm-85 -79.98 -39.32 30.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.539 -0.977 . . . . 2.5899999999999999 108.91 179.395 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.5 -49.42 77.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 2.54 109.243 179.667 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.479 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 10.8 ttm-85 -63.95 -36.44 83.97 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.21 -0.931 . . . . 3.3900000000000001 109.755 -179.862 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -52.02 -51.96 53.94 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.46999999999999997 109.104 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.496 ' OE1' ' NH2' ' C' ' 342' ' ' ARG . 72.3 mm-40 -53.94 -38.61 65.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.9 . . . . 1.6599999999999999 109.249 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.38 -56.08 21.73 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.24 -0.912 . . . . 0.60999999999999999 110.221 -179.574 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.54 -48.33 82.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.13 -0.981 . . . . 0.33000000000000002 109.33 179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.496 ' NH2' ' OE1' ' C' ' 339' ' ' GLU . 8.6 ttm180 -52.19 -39.39 60.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.221 -0.925 . . . . 3.2799999999999998 109.841 -179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.33 -43.14 99.38 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.148 -0.97 . . . . 1.78 110.277 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.33 -41.92 94.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.105 -0.997 . . . . 0.38 109.527 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.76 -52.77 64.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.131 -0.98 . . . . 1.2 109.888 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 1.3 mp0 -62.42 -38.94 91.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.915 . . . . 2.1200000000000001 109.814 -179.552 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -52.31 65.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.161 -0.962 . . . . 0.26000000000000001 109.674 -179.638 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.21 -44.65 96.11 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.389 -0.82 . . . . 0.40000000000000002 109.459 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.82 -34.52 71.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.368 -0.833 . . . . 2.0899999999999999 109.481 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.34 -49.81 70.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 0.75 109.086 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -64.31 -48.58 75.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.443 -0.785 . . . . 2.1899999999999999 108.936 179.624 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.62 -29.45 64.55 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.65 -0.656 . . . . 1.3400000000000001 109.681 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.44 78.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 0.71999999999999997 109.457 -179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -82.1 -5.14 58.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 1.8 109.476 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -1.81 12.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 1.3899999999999999 109.452 -179.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.46 90.64 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.46 -1.456 . . . . 1.6599999999999999 109.46 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -85.71 24.2 1.28 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.261 -1.141 . . . . 4.4500000000000002 109.614 -179.923 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.3 mm-40 -51.79 -51.92 65.91 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 6.1900000000000004 110.08 179.852 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.4 Cg_endo -61.89 100.6 0.2 Allowed 'Trans proline' 0 C--N 1.325 -0.707 0 N-CA-C 109.654 -0.941 . . . . 5.5800000000000001 109.654 -179.843 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 118.024 -1.431 . . . . 6.9000000000000004 109.545 -179.984 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.3 0.571 . . . . 7.3600000000000003 109.491 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 52.94 -141.29 0.87 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 7.1500000000000004 109.562 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 52.31 70.12 2.06 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.22 -0.925 . . . . 6.5 109.366 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -61.44 97.75 0.14 Allowed 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.521 1.481 . . . . 4.5 110.231 -179.509 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.1 38.59 0.47 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.454 -0.778 . . . . 4.3200000000000003 109.192 179.606 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.49 167.87 21.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.652 -0.655 . . . . 2.46 109.623 -179.687 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.467 ' H ' ' NE ' ' B' ' 333' ' ' ARG . . . -67.79 177.32 23.08 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 110.061 -1.216 . . . . 0.96999999999999997 110.061 -179.616 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.93 142.89 49.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -1.058 . . . . 1.6699999999999999 109.741 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -95.61 155.87 16.56 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.60999999999999999 109.811 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -135.85 -168.82 2.29 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.39 -0.819 . . . . 0.56000000000000005 109.162 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 38.3 p -151.3 152.27 32.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 108.956 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 69.5 tp -142.91 135.76 27.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.288 -0.883 . . . . 0.34999999999999998 109.912 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -85.05 127.33 34.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.723 -0.843 . . . . 1.3700000000000001 108.723 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.19 112.01 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.555 -0.715 . . . . 0.47999999999999998 109.077 -179.566 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.467 ' NE ' ' H ' ' B' ' 325' ' ' GLY . 1.5 tmt_? -73.9 145.16 45.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.555 -0.715 . . . . 2.0800000000000001 110.511 -179.31 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.62 131.61 5.3 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.459 -1.056 . . . . 0.40000000000000002 110.459 179.327 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.479 HH11 ' HG3' ' D' ' 335' ' ' ARG . 3.3 ttm-85 -80.0 -39.29 30.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.49 -1.006 . . . . 2.6400000000000001 108.944 179.315 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.59 -49.41 77.65 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.155 -0.966 . . . . 2.2200000000000002 109.147 179.737 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.472 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 10.6 ttm-85 -63.95 -36.45 84.01 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.245 -0.909 . . . . 2.7400000000000002 109.717 -179.842 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -51.99 -51.96 53.77 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.312 -0.867 . . . . 0.42999999999999999 109.165 -179.813 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' D' ' 342' ' ' ARG . 72.4 mm-40 -53.98 -38.64 65.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.6899999999999999 109.217 179.402 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.34 -56.06 22.03 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.369 -0.832 . . . . 0.42999999999999999 110.242 -179.55 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.59 -48.35 82.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.145 -0.972 . . . . 0.27000000000000002 109.279 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' D' ' 339' ' ' GLU . 8.6 ttm180 -52.11 -39.43 59.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.275 -0.89 . . . . 2.4500000000000002 109.848 -179.821 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.28 -43.13 99.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 1.75 110.342 -179.405 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.39 -41.85 94.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.31 109.541 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -58.73 -52.83 64.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.912 . . . . 1.22 109.876 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 1.3 mp0 -62.36 -38.9 91.34 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.181 -0.949 . . . . 1.73 109.811 -179.532 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 0.28000000000000003 109.683 -179.626 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.29 -44.54 96.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.31 109.439 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.89 -34.56 71.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.42 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.31 -49.83 70.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 109.109 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.31 -48.46 75.54 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.42 -0.8 . . . . 1.5700000000000001 108.966 179.627 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.8 -29.48 64.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.641 -0.662 . . . . 1.4399999999999999 109.586 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.57 78.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.17 -0.957 . . . . 0.64000000000000001 109.465 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -82.05 -5.19 58.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.886 . . . . 1.21 109.491 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -1.85 12.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.94 . . . . 1.22 109.488 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.94 -3.55 90.59 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.493 -1.443 . . . . 1.5 109.493 179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -85.65 24.21 1.26 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.276 -1.132 . . . . 4.1799999999999997 109.645 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.2 mm-40 -51.88 -51.86 66.82 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 5.6699999999999999 110.048 179.886 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.4 Cg_endo -61.97 100.65 0.21 Allowed 'Trans proline' 0 C--N 1.324 -0.733 0 N-CA-C 109.613 -0.957 . . . . 5.6500000000000004 109.613 -179.834 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 CA-C-O 117.988 -1.451 . . . . 7.2699999999999996 109.563 -179.99 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.517 -0.549 . . . . 7.3300000000000001 109.517 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 321' ' ' LYS . 48.0 mtpt 52.05 -170.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.248 -0.907 . . . . 7.21 109.172 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 320' ' ' LYS . 48.4 tttp 107.86 -38.11 0.0 OUTLIER Pre-proline 0 N--CA 1.516 2.841 0 N-CA-C 113.793 1.034 . . . . 6.4699999999999998 113.793 179.938 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -64.18 166.98 15.35 Favored 'Trans proline' 0 C--O 1.214 -0.709 0 CA-C-N 120.885 1.352 . . . . 4.5300000000000002 109.747 -179.715 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 26.8 mt -79.98 131.06 35.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 4.3499999999999996 109.335 179.871 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -79.96 -154.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 2.48 109.544 -179.862 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 166.3 46.65 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.626 -1.39 . . . . 0.97999999999999998 109.626 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -59.0 135.61 57.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.284 -1.127 . . . . 1.7 109.346 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 21.1 m-85 -94.31 149.33 21.34 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.237 -0.915 . . . . 0.60999999999999999 109.739 -179.745 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.19 138.45 35.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.57999999999999996 108.83 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 43.7 p -94.15 165.22 12.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.404 -0.81 . . . . 0.41999999999999998 109.283 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.28 13.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.168 -0.957 . . . . 0.35999999999999999 109.935 -179.133 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -84.03 126.99 33.58 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.483 -0.932 . . . . 1.3700000000000001 108.483 179.362 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -124.46 117.51 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.536 -0.727 . . . . 0.46999999999999997 109.969 -179.102 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -77.16 155.64 32.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.603 -0.686 . . . . 2.1000000000000001 109.684 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.82 2.11 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.457 -1.057 . . . . 0.41999999999999998 110.457 179.003 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.22 -42.13 14.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.428 -1.043 . . . . 2.6800000000000002 109.26 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.82 -46.71 88.4 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.799 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.483 HH11 ' HG3' ' A' ' 337' ' ' ARG . 18.8 ttm-85 -63.95 -39.94 95.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.191 -0.943 . . . . 2.77 109.7 -179.694 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.17 -54.43 30.84 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.286 179.858 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.57 -37.84 63.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.325 -0.859 . . . . 1.6599999999999999 109.741 -179.639 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.03 -49.75 71.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 0.44 110.456 -179.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.06 -43.16 95.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.28999999999999998 109.127 -179.607 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.64 -44.6 57.44 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.249 -0.907 . . . . 2.4399999999999999 109.468 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.414 ' OE1' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 tp10 -61.54 -47.32 86.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.93 . . . . 1.74 109.703 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.9 -45.02 96.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.235 -0.916 . . . . 0.29999999999999999 109.352 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.67 -50.19 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.905 . . . . 1.22 109.464 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 92.8 mt-10 -64.07 -35.82 81.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 1.72 109.802 -179.776 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.76 -58.36 8.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.398 -0.814 . . . . 0.27000000000000002 110.268 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.24 -38.82 84.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.28999999999999998 109.504 -179.539 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.64 -33.61 73.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 108.875 179.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' B' ' 350' ' ' LEU . 2.7 tt -64.67 -52.45 57.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.40999999999999998 109.077 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 31.1 ttmt -62.03 -47.03 86.58 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.401 -0.812 . . . . 1.5600000000000001 109.008 179.795 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.82 -30.75 65.97 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.327 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -30.87 70.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.386 -0.821 . . . . 0.66000000000000003 109.526 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.29 -26.18 30.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.245 -0.909 . . . . 1.1799999999999999 109.247 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.76 -9.5 58.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 1.23 109.086 179.513 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 50.52 4.39 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.564 -1.414 . . . . 1.54 109.564 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 358' ' ' GLU . 26.0 ttpp -84.02 175.53 9.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -1.168 . . . . 4.1799999999999997 109.062 179.912 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.433 ' H ' ' CG ' ' A' ' 357' ' ' LYS . 80.2 mm-40 -42.38 106.25 0.45 Allowed Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.494 -0.754 . . . . 5.71 109.957 -179.643 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.67 144.85 90.47 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 120.7 0.934 . . . . 5.6100000000000003 109.833 -179.579 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 118.054 -1.415 . . . . 7.2400000000000002 109.566 179.946 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.429 -0.582 . . . . 7.3399999999999999 109.429 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' B' ' 321' ' ' LYS . 48.0 mtpt 52.03 -170.69 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 7.1699999999999999 109.183 -179.779 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.555 ' CB ' ' O ' ' B' ' 320' ' ' LYS . 48.5 tttp 107.82 -38.0 0.0 OUTLIER Pre-proline 0 N--CA 1.517 2.892 0 N-CA-C 113.782 1.03 . . . . 6.4400000000000004 113.782 179.858 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -64.14 166.97 15.3 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 CA-C-N 120.874 1.348 . . . . 4.54 109.821 -179.762 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.07 131.14 35.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.234 -0.916 . . . . 4.3200000000000003 109.261 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.01 -153.97 0.09 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 2.4700000000000002 109.549 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 166.27 46.53 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.652 -1.379 . . . . 0.94999999999999996 109.652 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -58.92 135.55 57.61 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 1.6100000000000001 109.405 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.436 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 20.6 m-85 -94.25 149.22 21.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.234 -0.916 . . . . 0.56999999999999995 109.879 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.47 35.28 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -0.844 . . . . 0.53000000000000003 108.859 179.251 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 43.9 p -94.17 165.39 12.64 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -0.875 . . . . 0.38 109.207 -179.731 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.19 13.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 0.35999999999999999 109.962 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.85 126.99 33.51 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.559 -0.904 . . . . 1.3600000000000001 108.559 179.294 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 117.62 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.537 -0.727 . . . . 0.48999999999999999 109.923 -179.166 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.21 155.7 32.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.511 -0.743 . . . . 2.1000000000000001 109.62 179.319 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.45 136.89 2.13 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.468 -1.053 . . . . 0.44 110.468 178.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -85.33 -42.12 14.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.39 -1.065 . . . . 2.7200000000000002 109.293 179.444 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.77 -46.79 88.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.414 -0.804 . . . . 2.21 109.809 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.481 HH11 ' HG3' ' B' ' 337' ' ' ARG . 19.0 ttm-85 -63.95 -39.92 95.24 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.213 -0.929 . . . . 2.79 109.715 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.15 -54.46 30.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.306 -0.871 . . . . 0.45000000000000001 109.308 179.853 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.44 -37.99 63.11 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 109.826 -179.732 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' C' ' 340' ' ' MET . 25.2 ttp -63.97 -49.79 71.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 110.49 -179.147 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -60.07 -43.05 95.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.11 -0.994 . . . . 0.28000000000000003 109.186 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.73 -44.52 58.35 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.186 -0.946 . . . . 2.52 109.465 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 tp10 -61.59 -47.29 86.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 1.75 109.685 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.98 -45.03 96.43 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.177 -0.952 . . . . 0.31 109.316 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.66 -50.12 75.09 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.291 -0.881 . . . . 1.21 109.489 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.544 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 92.8 mt-10 -64.18 -35.49 80.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.859 -179.797 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.05 -58.26 9.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.27000000000000002 110.232 -179.514 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.31 -38.78 84.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.29999999999999999 109.505 -179.546 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.64 73.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.082 -1.012 . . . . 1.9299999999999999 108.931 179.196 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.628 HD22 HD22 ' A' ' 350' ' ' LEU . 2.8 tt -64.7 -52.46 57.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.472 -0.767 . . . . 0.40000000000000002 109.057 179.806 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.44 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 30.9 ttmt -62.02 -47.02 86.63 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.423 -0.798 . . . . 1.5900000000000001 109.016 179.764 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -30.62 65.99 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.572 -0.705 . . . . 1.4299999999999999 109.39 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.95 71.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.319 -0.863 . . . . 0.65000000000000002 109.523 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -83.29 -26.13 30.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 1.1899999999999999 109.232 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.42 58.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.354 -0.841 . . . . 1.22 109.038 179.529 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 50.58 4.38 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.574 -1.41 . . . . 1.53 109.574 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.434 ' CG ' ' H ' ' B' ' 358' ' ' GLU . 26.0 ttpp -84.01 175.52 9.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.204 -1.174 . . . . 4.21 109.06 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.434 ' H ' ' CG ' ' B' ' 357' ' ' LYS . 80.2 mm-40 -42.43 106.3 0.46 Allowed Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 5.6799999999999997 109.967 -179.648 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.63 144.9 90.77 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 120.709 0.94 . . . . 5.5700000000000003 109.791 -179.585 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.492 -1.443 . . . . 7.2000000000000002 109.492 179.924 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.468 -0.567 . . . . 8.9600000000000009 109.468 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' C' ' 321' ' ' LYS . 48.0 mtpt 52.04 -170.72 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.217 -0.927 . . . . 8.1500000000000004 109.196 -179.763 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' C' ' 320' ' ' LYS . 48.4 tttp 107.82 -38.03 0.0 OUTLIER Pre-proline 0 N--CA 1.516 2.873 0 N-CA-C 113.814 1.042 . . . . 7.1500000000000004 113.814 179.888 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -64.18 167.04 15.24 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 CA-C-N 120.827 1.331 . . . . 4.3499999999999996 109.815 -179.71 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.03 131.12 35.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 4.6299999999999999 109.263 179.897 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.04 -154.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.315 -0.866 . . . . 2.8500000000000001 109.583 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 166.24 46.62 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.626 -1.389 . . . . 1.1200000000000001 109.626 -179.94 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -58.95 135.57 57.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -1.13 . . . . 2.1099999999999999 109.364 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 20.8 m-85 -94.24 149.31 21.36 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 0.64000000000000001 109.83 -179.798 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -140.16 138.44 35.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 0.48999999999999999 108.877 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 43.5 p -94.17 165.3 12.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.428 -0.795 . . . . 0.46999999999999997 109.244 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -150.05 130.16 13.55 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.978 . . . . 0.41999999999999998 109.998 -179.136 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.84 126.91 33.43 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.593 -0.891 . . . . 1.8100000000000001 108.593 179.348 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -124.44 117.52 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.523 -0.735 . . . . 0.41999999999999998 110.011 -179.117 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.13 155.69 32.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.582 -0.699 . . . . 2.3500000000000001 109.659 179.361 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.43 136.91 2.12 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.415 -1.074 . . . . 0.40999999999999998 110.415 178.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -85.31 -42.18 14.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.456 -1.026 . . . . 2.5899999999999999 109.245 179.418 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.78 -46.79 88.08 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.336 -0.853 . . . . 2.54 109.764 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.488 HH11 ' HG3' ' C' ' 337' ' ' ARG . 18.9 ttm-85 -63.91 -39.99 95.46 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.226 -0.921 . . . . 3.3900000000000001 109.668 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -52.13 -54.53 29.5 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.329 -0.857 . . . . 0.46999999999999997 109.299 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.42 -37.84 62.93 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.869 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.409 ' SD ' ' SD ' ' B' ' 340' ' ' MET . 25.3 ttp -64.03 -49.8 70.98 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.337 -0.852 . . . . 0.60999999999999999 110.455 -179.142 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.05 -43.1 95.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.101 -1.0 . . . . 0.33000000000000002 109.215 -179.627 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -50.67 -44.5 57.71 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.198 -0.938 . . . . 3.2799999999999998 109.533 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.506 ' OE1' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 tp10 -61.52 -47.37 85.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 1.78 109.703 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 50.3 mt -60.91 -45.06 96.14 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.227 -0.92 . . . . 0.38 109.356 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -59.64 -50.22 74.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.313 -0.867 . . . . 1.2 109.463 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.53 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 92.8 mt-10 -64.16 -35.46 80.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 2.1200000000000001 109.838 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.97 -58.36 8.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.226 -0.921 . . . . 0.26000000000000001 110.253 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.26 -38.78 84.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 109.515 -179.518 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.63 -33.67 73.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 2.0899999999999999 108.874 179.248 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -64.68 -52.33 57.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.622 0.725 . . . . 0.75 109.087 179.801 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.468 ' NZ ' ' OE1' ' D' ' 343' ' ' GLU . 31.0 ttmt -62.19 -46.96 86.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.465 -0.772 . . . . 2.1899999999999999 109.024 179.734 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.89 -30.63 66.01 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 1.3400000000000001 109.348 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -31.0 71.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.71999999999999997 109.569 -179.973 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.18 -26.23 31.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.208 -0.933 . . . . 1.8 109.278 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.7 -9.48 58.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 1.3899999999999999 109.041 179.551 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 50.57 4.38 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.576 -1.409 . . . . 1.6599999999999999 109.576 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.431 ' CG ' ' H ' ' C' ' 358' ' ' GLU . 26.0 ttpp -84.06 175.54 9.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -1.145 . . . . 4.4500000000000002 109.047 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' C' ' 357' ' ' LYS . 80.2 mm-40 -42.4 106.26 0.45 Allowed Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.526 -0.734 . . . . 6.1900000000000004 109.934 -179.647 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -63.68 144.83 90.39 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 C-N-CA 120.652 0.902 . . . . 5.5800000000000001 109.869 -179.622 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.522 -1.431 . . . . 6.9000000000000004 109.522 -179.989 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.409 -0.589 . . . . 7.3600000000000003 109.409 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' D' ' 321' ' ' LYS . 48.1 mtpt 52.1 -170.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 7.1500000000000004 109.104 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' D' ' 320' ' ' LYS . 48.4 tttp 107.83 -38.01 0.0 OUTLIER Pre-proline 0 N--CA 1.517 2.879 0 N-CA-C 113.79 1.033 . . . . 6.5 113.79 179.887 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' D' ' 321' ' ' LYS . 2.3 Cg_endo -64.2 166.95 15.5 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 CA-C-N 120.81 1.325 . . . . 4.5 109.728 -179.714 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.0 131.06 35.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.23 -0.919 . . . . 4.3200000000000003 109.265 179.936 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.02 -153.91 0.09 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 2.46 109.566 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.72 166.4 46.56 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.96999999999999997 109.557 -179.851 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.03 135.55 57.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -1.161 . . . . 1.6699999999999999 109.303 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 21.2 m-85 -94.33 149.29 21.38 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.276 -0.89 . . . . 0.60999999999999999 109.783 -179.811 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -140.13 138.55 35.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 108.805 179.263 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 43.1 p -94.33 165.2 12.69 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.38 -0.825 . . . . 0.42999999999999999 109.209 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.99 130.23 13.68 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.125 -0.985 . . . . 0.34999999999999998 109.992 -179.099 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.89 126.96 33.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.216 -0.927 . . . . 1.3700000000000001 108.542 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.9 mt -124.5 117.45 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.472 -0.768 . . . . 0.47999999999999998 110.044 -179.139 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -77.06 155.64 32.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.598 -0.689 . . . . 2.0800000000000001 109.675 179.365 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.37 136.93 2.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.442 -1.063 . . . . 0.40000000000000002 110.442 179.025 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -85.27 -42.22 14.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.385 -1.068 . . . . 2.6400000000000001 109.199 179.478 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.73 -46.75 88.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.297 -0.877 . . . . 2.2200000000000002 109.816 -179.753 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.479 ' HG3' HH11 ' D' ' 337' ' ' ARG . 18.5 ttm-85 -63.96 -39.92 95.23 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.138 -0.977 . . . . 2.7400000000000002 109.741 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.16 -54.41 31.05 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.299 -0.876 . . . . 0.42999999999999999 109.338 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -53.51 -37.89 63.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.307 -0.87 . . . . 1.6899999999999999 109.783 -179.674 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.95 -49.84 70.99 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.319 -0.863 . . . . 0.42999999999999999 110.46 -179.149 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -60.05 -43.15 95.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.026 -1.046 . . . . 0.27000000000000002 109.13 -179.56 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -50.62 -44.61 57.22 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.127 -0.983 . . . . 2.4500000000000002 109.473 179.955 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.468 ' OE1' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 tp10 -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.182 -0.949 . . . . 1.75 109.725 -179.935 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.96 -45.0 96.51 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.33 -0.856 . . . . 0.31 109.292 -179.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.64 -50.18 74.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.283 -0.886 . . . . 1.22 109.421 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.403 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 92.8 mt-10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.333 -0.854 . . . . 1.73 109.836 -179.718 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.84 -58.33 8.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 0.28000000000000003 110.25 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -60.3 -38.83 84.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.11 -0.994 . . . . 0.31 109.485 -179.49 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.59 -33.65 73.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.052 -1.03 . . . . 1.9099999999999999 108.886 179.238 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.619 HD22 HD22 ' C' ' 350' ' ' LEU . 2.7 tt -64.76 -52.34 57.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.539 -0.726 . . . . 0.42999999999999999 109.054 179.794 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 31.1 ttmt -62.12 -47.01 86.51 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.384 -0.823 . . . . 1.5700000000000001 109.013 179.775 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.87 -30.62 65.98 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.583 -0.698 . . . . 1.4399999999999999 109.358 179.756 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.97 71.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.64000000000000001 109.52 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.23 -26.1 31.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 1.21 109.323 179.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.77 -9.47 58.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.225 -0.922 . . . . 1.22 109.117 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.23 50.55 4.39 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.613 -1.395 . . . . 1.5 109.613 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' D' ' 358' ' ' GLU . 26.0 ttpp -83.99 175.5 9.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.19 -1.182 . . . . 4.1799999999999997 109.052 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.433 ' H ' ' CG ' ' D' ' 357' ' ' LYS . 80.2 mm-40 -42.4 106.2 0.45 Allowed Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.523 -0.736 . . . . 5.6699999999999999 109.952 -179.662 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -63.56 144.83 90.99 Favored 'Trans proline' 0 C--O 1.215 -0.674 0 C-N-CA 120.703 0.935 . . . . 5.6500000000000004 109.82 -179.596 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 118.024 -1.431 . . . . 7.2699999999999996 109.559 179.91 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.445 -0.576 . . . . 7.3300000000000001 109.445 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt 54.41 -101.37 0.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.457 -0.777 . . . . 7.21 110.008 -179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 51.2 pttt 37.8 64.29 3.18 Favored Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.763 -0.585 . . . . 6.4699999999999998 110.643 -179.417 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.1 Cg_endo -63.4 93.4 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 121.448 1.432 . . . . 4.5300000000000002 110.708 -179.482 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.27 23.0 0.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.603 -0.888 . . . . 4.3499999999999996 108.603 179.068 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 322' ' ' PRO . 0.9 OUTLIER -78.95 -77.37 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.702 -0.624 . . . . 2.48 110.346 -179.045 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.451 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -65.62 125.47 28.57 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.873 -1.291 . . . . 0.97999999999999998 109.873 -179.15 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.16 140.11 58.44 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.866 -0.785 . . . . 1.7 109.68 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -94.09 149.72 20.98 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.278 -0.889 . . . . 0.60999999999999999 108.988 179.61 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.43 -169.54 2.54 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.546 -179.633 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.21 150.9 31.14 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.271 -1.011 . . . . 0.41999999999999998 108.271 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -144.07 133.5 23.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.29 -0.881 . . . . 0.35999999999999999 109.859 -178.368 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.53 128.01 34.36 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.553 -0.906 . . . . 1.3700000000000001 108.553 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.7 mt -123.23 112.92 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.33 -0.856 . . . . 0.46999999999999997 109.082 -179.479 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.577 HH21 ' H ' ' C' ' 325' ' ' GLY . 33.2 ttt-85 -74.45 153.61 39.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.537 -0.727 . . . . 2.1000000000000001 109.635 -179.788 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.71 130.04 1.17 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.949 -1.26 . . . . 0.41999999999999998 109.949 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.32 -43.6 32.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.398 -1.06 . . . . 2.6800000000000002 109.286 179.744 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.87 -44.93 82.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.232 -0.917 . . . . 2.2200000000000002 108.936 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -64.01 -42.22 97.22 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.377 -0.827 . . . . 2.77 109.234 179.684 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -54.46 -55.78 25.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.611 -0.68 . . . . 0.42999999999999999 109.639 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.89 -40.42 60.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.722 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.18 -51.12 67.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.339 -0.851 . . . . 0.44 110.08 -179.434 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.2 -48.39 81.72 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.189 -0.944 . . . . 0.28999999999999998 109.086 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.13 -41.59 60.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 2.4399999999999999 109.547 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.07 -47.79 83.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.197 -0.939 . . . . 1.74 109.622 -179.639 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.9 -34.86 75.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.178 -0.951 . . . . 0.29999999999999999 108.636 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.1 -57.85 11.25 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.441 -0.787 . . . . 1.22 109.477 179.559 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.47 -34.78 78.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 1.72 110.118 -179.736 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.12 -56.38 22.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.27000000000000002 110.145 -179.21 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.93 -42.85 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.093 -1.004 . . . . 0.28999999999999998 109.513 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.99 -35.1 74.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 109.174 179.639 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.62 -48.63 74.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 0.40999999999999998 109.562 -179.882 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.04 -40.4 97.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.371 -0.831 . . . . 1.5600000000000001 108.864 179.553 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -56.28 -34.18 66.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.626 -0.671 . . . . 1.4299999999999999 109.452 179.645 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.51 77.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.379 -0.826 . . . . 0.66000000000000003 109.863 -179.908 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.85 -4.53 55.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 1.1799999999999999 109.532 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.38 -88.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.189 -0.944 . . . . 1.23 109.314 179.784 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.56 101.7 1.42 Allowed Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.466 -1.453 . . . . 1.54 109.466 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.2 141.38 29.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.281 -1.129 . . . . 4.1799999999999997 109.417 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -47.71 110.35 1.34 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.456 -0.778 . . . . 5.71 109.355 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.69 141.94 96.42 Favored 'Trans proline' 0 C--O 1.216 -0.614 0 C-N-CA 120.73 0.953 . . . . 5.6100000000000003 110.2 -179.71 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.354 -1.498 . . . . 7.2400000000000002 109.354 179.874 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.407 -0.59 . . . . 7.3399999999999999 109.407 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' B' ' 321' ' ' LYS . 59.9 mmtt 54.53 -101.53 0.13 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.411 -0.805 . . . . 7.1699999999999999 109.965 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 320' ' ' LYS . 51.1 pttt 37.97 64.21 3.31 Favored Pre-proline 0 N--CA 1.502 2.147 0 O-C-N 121.786 -0.571 . . . . 6.4400000000000004 110.577 -179.501 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.1 Cg_endo -63.42 93.54 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.336 1.357 . . . . 4.54 110.744 -179.5 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.31 22.89 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.59 -0.892 . . . . 4.3200000000000003 108.59 179.119 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' B' ' 322' ' ' PRO . 0.9 OUTLIER -78.86 -78.98 0.14 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.714 -0.616 . . . . 2.4700000000000002 110.119 -179.155 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.575 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -63.23 125.32 33.88 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 110.035 -1.226 . . . . 0.94999999999999996 110.035 -179.41 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.41 140.25 58.56 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.715 -0.873 . . . . 1.6100000000000001 109.716 179.74 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -93.97 149.84 20.88 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.265 -0.897 . . . . 0.56999999999999995 109.088 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.66 -169.58 2.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.323 -0.861 . . . . 0.53000000000000003 109.548 -179.605 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -151.31 150.6 30.72 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.25 -1.019 . . . . 0.38 108.25 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 66.8 tp -143.81 133.5 23.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.233 -0.917 . . . . 0.35999999999999999 109.883 -178.404 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -84.38 127.99 34.32 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.641 -0.874 . . . . 1.3600000000000001 108.641 179.091 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.29 112.88 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.36 -0.838 . . . . 0.48999999999999999 109.066 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.531 HH21 ' H ' ' D' ' 325' ' ' GLY . 33.9 ttt-85 -74.36 153.57 39.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.461 -0.774 . . . . 2.1000000000000001 109.713 -179.847 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.64 130.08 1.15 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.935 -1.266 . . . . 0.44 109.935 179.797 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.35 -43.59 32.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.42 -1.047 . . . . 2.7200000000000002 109.279 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.93 -44.82 82.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.264 -0.897 . . . . 2.21 108.934 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 2.79 109.238 179.67 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.42 -55.83 24.84 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.58 -0.7 . . . . 0.45000000000000001 109.631 -179.962 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.88 -40.44 60.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.75 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.2 -51.02 68.0 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.329 -0.857 . . . . 0.42999999999999999 110.155 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.23 -48.41 81.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.191 -0.943 . . . . 0.28000000000000003 109.038 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -51.08 -41.73 60.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.338 -0.851 . . . . 2.52 109.568 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.94 -47.91 83.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.129 -0.982 . . . . 1.75 109.658 -179.688 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.9 mt -60.83 -34.88 75.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.31 108.664 179.673 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.16 -57.73 11.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.39 -0.819 . . . . 1.21 109.439 179.599 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -63.66 -34.6 78.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 110.103 -179.673 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.18 -56.42 22.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.259 -0.901 . . . . 0.27000000000000002 110.122 -179.272 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.87 -42.68 98.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 109.61 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.14 -35.07 74.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.131 -0.981 . . . . 1.9299999999999999 109.159 179.666 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.5 -48.72 74.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.378 -0.826 . . . . 0.40000000000000002 109.435 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.12 -40.36 97.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 1.5900000000000001 108.901 179.647 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -56.32 -34.14 66.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.385 179.637 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.41 -43.48 77.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.3 -0.875 . . . . 0.65000000000000002 109.891 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.86 -4.58 55.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 1.1899999999999999 109.557 -179.843 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -88.8 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 1.22 109.317 179.765 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.48 101.62 1.41 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.469 -1.452 . . . . 1.53 109.469 179.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.21 141.43 29.33 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.28 -1.129 . . . . 4.21 109.421 179.993 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -47.69 110.32 1.33 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.415 -0.803 . . . . 5.6799999999999997 109.385 179.92 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.67 141.98 96.56 Favored 'Trans proline' 0 C--O 1.215 -0.627 0 C-N-CA 120.708 0.939 . . . . 5.5700000000000003 110.147 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.412 -1.475 . . . . 7.2000000000000002 109.412 179.82 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.441 -0.577 . . . . 8.9600000000000009 109.441 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' C' ' 321' ' ' LYS . 60.0 mmtt 54.45 -101.48 0.12 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.466 -0.772 . . . . 8.1500000000000004 109.976 -179.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' C' ' 320' ' ' LYS . 51.2 pttt 37.9 64.22 3.26 Favored Pre-proline 0 N--CA 1.503 2.213 0 O-C-N 121.807 -0.558 . . . . 7.1500000000000004 110.632 -179.429 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.1 Cg_endo -63.35 93.47 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.039 0 C-N-CA 121.381 1.387 . . . . 4.3499999999999996 110.766 -179.51 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.31 22.95 0.63 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.625 -0.88 . . . . 4.6299999999999999 108.625 179.074 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' C' ' 322' ' ' PRO . 0.9 OUTLIER -78.9 -77.92 0.16 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.631 -0.668 . . . . 2.8500000000000001 110.373 -179.172 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.577 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -64.84 125.42 30.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.876 -1.29 . . . . 1.1200000000000001 109.876 -179.232 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.16 140.21 58.44 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.822 -0.81 . . . . 2.1099999999999999 109.653 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -94.05 149.65 21.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.256 -0.902 . . . . 0.64000000000000001 109.087 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.37 -169.46 2.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.295 -0.878 . . . . 0.48999999999999999 109.524 -179.625 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.4 p -151.38 150.49 30.53 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.374 -0.973 . . . . 0.46999999999999997 108.374 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 66.7 tp -143.77 133.5 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.286 -0.884 . . . . 0.41999999999999998 109.919 -178.361 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -84.42 127.99 34.33 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.539 -0.912 . . . . 1.8100000000000001 108.539 179.179 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.1 mt -123.28 113.1 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.38 -0.825 . . . . 0.41999999999999998 109.022 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.451 HH21 ' H ' ' A' ' 325' ' ' GLY . 34.1 ttt-85 -74.64 153.71 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.532 -0.73 . . . . 2.3500000000000001 109.578 -179.773 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.68 130.03 1.16 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.929 -1.268 . . . . 0.40999999999999998 109.929 179.747 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.28 -43.6 32.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 2.5899999999999999 109.341 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.93 -44.67 82.69 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.241 -0.912 . . . . 2.54 108.98 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.284 -0.885 . . . . 3.3900000000000001 109.157 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -54.44 -55.83 24.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.567 -0.708 . . . . 0.46999999999999997 109.564 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.91 -40.47 60.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -0.849 . . . . 1.6599999999999999 109.718 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.191 -0.943 . . . . 0.60999999999999999 110.122 -179.497 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.24 -48.35 81.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.143 -0.973 . . . . 0.33000000000000002 109.039 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -51.13 -41.73 60.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 3.2799999999999998 109.555 179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.97 -47.86 83.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 1.78 109.666 -179.654 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.83 -34.92 75.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.211 -0.931 . . . . 0.38 108.636 179.619 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.18 -57.74 11.69 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.476 -0.765 . . . . 1.2 109.484 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.65 -34.58 78.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.379 -0.826 . . . . 2.1200000000000001 110.137 -179.754 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.13 -56.45 21.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.26000000000000001 110.178 -179.298 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.84 -42.88 98.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.095 -1.003 . . . . 0.40000000000000002 109.481 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.98 -35.09 74.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.162 179.682 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -48.66 74.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.898 . . . . 0.75 109.415 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.0 -40.53 98.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 2.1899999999999999 108.894 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.23 -34.15 66.05 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.574 -0.703 . . . . 1.3400000000000001 109.446 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.59 76.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.38 -0.825 . . . . 0.71999999999999997 109.781 -179.864 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.82 -4.56 55.12 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.316 -0.865 . . . . 1.8 109.523 -179.779 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -88.9 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.3899999999999999 109.321 179.765 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.49 101.68 1.41 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.586 -1.406 . . . . 1.6599999999999999 109.586 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.1 141.35 29.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.245 -1.15 . . . . 4.4500000000000002 109.467 -179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -47.74 110.31 1.34 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 6.1900000000000004 109.33 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.66 141.84 96.2 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 120.765 0.976 . . . . 5.5800000000000001 110.161 -179.72 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.419 -1.472 . . . . 6.9000000000000004 109.419 179.839 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.37 -0.604 . . . . 7.3600000000000003 109.37 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' D' ' 321' ' ' LYS . 60.1 mmtt 54.65 -101.46 0.13 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.458 -0.777 . . . . 7.1500000000000004 110.012 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' D' ' 320' ' ' LYS . 51.2 pttt 37.86 64.25 3.23 Favored Pre-proline 0 N--CA 1.503 2.204 0 O-C-N 121.798 -0.564 . . . . 6.5 110.567 -179.488 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.1 Cg_endo -63.36 93.49 0.16 Allowed 'Trans proline' 0 C--N 1.317 -1.098 0 C-N-CA 121.384 1.389 . . . . 4.5 110.674 -179.503 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.42 23.02 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.568 -0.901 . . . . 4.3200000000000003 108.568 179.058 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' D' ' 322' ' ' PRO . 0.9 OUTLIER -78.95 -77.95 0.16 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.762 -0.586 . . . . 2.46 110.3 -179.165 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.531 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -64.77 125.39 30.58 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.94 -1.264 . . . . 0.96999999999999997 109.94 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.22 140.23 58.47 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.723 -0.869 . . . . 1.6699999999999999 109.646 -179.984 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -94.01 149.92 20.81 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.244 -0.91 . . . . 0.60999999999999999 109.034 179.535 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.74 -169.6 2.58 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.332 -0.855 . . . . 0.56000000000000005 109.54 -179.627 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.5 p -151.28 150.57 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.341 -0.985 . . . . 0.42999999999999999 108.341 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 66.4 tp -143.82 133.53 23.74 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.34999999999999998 109.909 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -84.39 127.89 34.26 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.612 -0.885 . . . . 1.3700000000000001 108.612 179.139 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.2 mt -123.23 112.91 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.429 -0.795 . . . . 0.47999999999999998 109.11 -179.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.575 HH21 ' H ' ' B' ' 325' ' ' GLY . 33.1 ttt-85 -74.33 153.7 39.2 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.521 -0.737 . . . . 2.0800000000000001 109.758 -179.843 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 130.12 1.13 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.989 -1.245 . . . . 0.40000000000000002 109.989 179.831 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -77.39 -43.45 32.66 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.356 -1.085 . . . . 2.6400000000000001 109.333 179.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -56.9 -45.06 82.85 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.173 -0.954 . . . . 2.2200000000000002 108.914 179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.87 -42.26 97.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.419 -0.8 . . . . 2.7400000000000002 109.278 179.654 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -54.43 -55.83 24.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.608 -0.683 . . . . 0.42999999999999999 109.561 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.94 -40.43 60.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.368 -0.833 . . . . 1.6899999999999999 109.752 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -63.13 -51.06 67.97 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.42999999999999999 110.177 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.147 -0.971 . . . . 0.27000000000000002 109.005 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -51.16 -41.64 60.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -0.848 . . . . 2.4500000000000002 109.498 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.02 -47.86 83.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 1.75 109.64 -179.667 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.78 -34.94 75.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.182 -0.949 . . . . 0.31 108.68 179.624 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -59.12 -57.69 11.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.5 -0.75 . . . . 1.22 109.509 179.547 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -63.58 -35.01 79.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.73 110.101 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.411 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -56.82 -56.44 21.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.925 . . . . 0.28000000000000003 110.226 -179.348 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.91 -42.82 98.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.31 109.54 -179.692 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -59.99 -35.14 74.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.93 . . . . 1.9099999999999999 109.17 179.629 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.59 -48.65 74.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.317 -0.865 . . . . 0.42999999999999999 109.599 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -63.09 -40.33 97.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.5700000000000001 108.867 179.569 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.23 -34.28 66.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.512 -0.742 . . . . 1.4399999999999999 109.4 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.54 77.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.361 -0.837 . . . . 0.64000000000000001 109.824 -179.876 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -80.88 -4.44 54.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 1.21 109.619 -179.827 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.39 -88.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 1.22 109.312 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.54 101.76 1.43 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.533 -1.427 . . . . 1.5 109.533 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -86.26 141.41 29.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.283 -1.127 . . . . 4.1799999999999997 109.459 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -47.77 110.33 1.35 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.482 -0.761 . . . . 5.6699999999999999 109.364 -179.995 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.62 141.99 96.67 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 C-N-CA 120.755 0.97 . . . . 5.6500000000000004 110.133 -179.701 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 109.436 -1.466 . . . . 7.2699999999999996 109.436 179.833 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 320' ' ' LYS . 54.4 mttp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.391 -0.596 . . . . 7.3300000000000001 109.391 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 319' ' ' LYS . 70.5 tttt 57.58 109.04 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 7.21 109.719 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 57.07 77.51 0.41 Allowed Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 6.4699999999999998 109.272 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.8 -32.74 92.64 Favored 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 121.424 1.416 . . . . 4.5300000000000002 110.196 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.99 97.2 7.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.267 -0.896 . . . . 4.3499999999999996 108.762 179.451 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.521 ' CB ' ' HE ' ' C' ' 333' ' ' ARG . 2.7 m-20 -81.45 -148.14 0.07 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 2.48 109.958 -179.449 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 176.34 29.73 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.737 -1.345 . . . . 0.97999999999999998 109.737 -179.775 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.39 137.14 58.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.39 -1.065 . . . . 1.7 109.653 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.436 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 36.2 m-85 -96.37 152.81 18.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.319 -0.863 . . . . 0.60999999999999999 109.599 179.84 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.53 133.45 30.85 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.484 -0.932 . . . . 0.57999999999999996 108.484 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -92.82 165.17 13.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.403 -0.81 . . . . 0.41999999999999998 109.317 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.67 130.88 15.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.243 -0.911 . . . . 0.35999999999999999 109.659 -179.714 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.556 HE22 ' N ' ' A' ' 333' ' ' ARG . 3.4 tm0? -86.31 129.72 34.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.453 -0.779 . . . . 1.3700000000000001 109.432 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.544 ' C ' HE22 ' A' ' 331' ' ' GLN . 58.1 mt -124.21 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.572 -0.705 . . . . 0.46999999999999997 109.313 -179.854 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.556 ' N ' HE22 ' A' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.42 28.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 2.1000000000000001 109.521 179.886 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.7 136.55 5.98 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 110.099 -1.2 . . . . 0.41999999999999998 110.099 179.174 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.4 -50.26 12.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.39 -1.065 . . . . 2.6800000000000002 108.99 179.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.39 -39.61 76.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.2200000000000002 108.808 179.509 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.624 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.18 84.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.308 -0.87 . . . . 2.77 109.375 179.739 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.78 -58.01 9.98 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.672 -0.642 . . . . 0.42999999999999999 109.888 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.28 -39.69 46.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.354 -0.841 . . . . 1.6599999999999999 110.12 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.18 -54.61 30.97 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.064 -1.023 . . . . 0.44 110.427 -179.205 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.12 -46.33 91.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.013 -1.055 . . . . 0.28999999999999998 108.962 -179.684 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.47 -42.19 54.04 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.236 -0.915 . . . . 2.4399999999999999 109.327 179.787 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -60.08 -54.12 49.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 1.74 109.943 -179.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.04 -39.39 85.75 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.148 -0.97 . . . . 0.29999999999999999 108.691 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.412 ' O ' ' CD ' ' A' ' 349' ' ' GLU . 21.0 t-20 -58.35 -57.08 14.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.36 -0.838 . . . . 1.22 109.37 179.572 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.04 -33.88 71.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 1.72 109.826 -179.7 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.39 -48.04 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.27000000000000002 109.727 -179.846 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -50.14 72.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.371 -0.83 . . . . 0.28999999999999998 109.857 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 345' ' ' ASN . 3.3 mp0 -58.03 -33.19 68.72 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.124 -0.985 . . . . 1.9099999999999999 109.434 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -64.91 -52.92 53.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.118 -0.989 . . . . 0.40999999999999998 109.075 179.825 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.8 -45.4 94.02 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.37 -0.831 . . . . 1.5600000000000001 108.948 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.76 -35.92 66.75 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.38 179.645 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -27.94 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 0.66000000000000003 109.281 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.88 -20.32 30.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 1.1799999999999999 109.415 179.857 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -22.0 60.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.252 -0.905 . . . . 1.23 109.335 179.84 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -7.8 81.35 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.446 -1.461 . . . . 1.54 109.446 179.971 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.06 33.64 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -1.155 . . . . 4.1799999999999997 109.393 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.43 151.34 3.95 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.388 -0.82 . . . . 5.71 109.463 -179.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.2 -81.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.25 1.3 . . . . 5.6100000000000003 110.051 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 118.012 -1.438 . . . . 7.2400000000000002 109.56 -179.735 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' B' ' 320' ' ' LYS . 54.3 mttp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.5 -0.555 . . . . 7.3399999999999999 109.5 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' B' ' 319' ' ' LYS . 70.6 tttt 57.53 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.377 -0.827 . . . . 7.1699999999999999 109.678 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 57.11 77.42 0.42 Allowed Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 121.369 -0.832 . . . . 6.4400000000000004 109.273 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.62 -32.79 91.57 Favored 'Trans proline' 0 C--N 1.323 -0.808 0 C-N-CA 121.43 1.42 . . . . 4.54 110.305 -179.198 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.2 mt -82.07 97.21 8.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.234 -0.916 . . . . 4.3200000000000003 108.798 179.441 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.527 ' CB ' ' HE ' ' D' ' 333' ' ' ARG . 2.6 m-20 -81.53 -148.29 0.07 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 2.4700000000000002 109.927 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.79 176.28 29.31 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.75 -1.34 . . . . 0.94999999999999996 109.75 -179.741 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.21 137.09 58.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.334 -1.098 . . . . 1.6100000000000001 109.624 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 36.6 m-85 -96.43 152.8 18.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.34 -0.85 . . . . 0.56999999999999995 109.586 179.754 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.49 133.41 30.86 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.277 -0.889 . . . . 0.53000000000000003 108.608 178.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -92.78 165.16 13.07 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.38 109.315 -179.85 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.8 tp -148.69 130.82 15.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.35999999999999999 109.668 -179.721 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.565 HE22 ' N ' ' B' ' 333' ' ' ARG . 3.4 tm0? -86.2 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.506 179.896 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.543 ' C ' HE22 ' B' ' 331' ' ' GLN . 57.8 mt -124.24 107.43 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.601 -0.687 . . . . 0.48999999999999999 109.379 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.565 ' N ' HE22 ' B' ' 331' ' ' GLN . 0.3 OUTLIER -74.82 125.36 28.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.482 -0.761 . . . . 2.1000000000000001 109.522 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.74 136.4 5.94 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 110.068 -1.213 . . . . 0.44 110.068 179.181 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.35 -50.22 12.15 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.412 -1.051 . . . . 2.7200000000000002 108.992 179.631 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.45 -39.57 76.58 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.128 -0.983 . . . . 2.21 108.811 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.612 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.4 -41.27 84.52 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.298 -0.876 . . . . 2.79 109.383 179.671 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.78 -58.04 9.83 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.619 -0.675 . . . . 0.45000000000000001 109.829 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -50.26 -39.77 45.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 1.6799999999999999 110.06 -179.561 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -64.2 -54.55 31.88 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.086 -1.008 . . . . 0.42999999999999999 110.413 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.04 -46.36 91.02 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.117 -0.989 . . . . 0.28000000000000003 108.976 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.46 -42.22 54.04 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.277 -0.889 . . . . 2.52 109.341 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.0 -54.26 48.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 1.75 109.905 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.2 mt -59.96 -39.43 85.58 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.205 -0.934 . . . . 0.31 108.707 179.884 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.41 ' O ' ' CD ' ' B' ' 349' ' ' GLU . 20.9 t-20 -58.39 -56.97 15.19 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.322 -0.861 . . . . 1.21 109.373 179.57 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.18 -33.79 71.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 109.716 -179.703 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.52 -48.0 83.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 109.702 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.35 -49.92 73.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.29999999999999999 109.896 -179.742 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 345' ' ' ASN . 3.3 mp0 -58.15 -33.24 68.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.133 -0.979 . . . . 1.9299999999999999 109.381 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.581 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -64.84 -53.07 52.48 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.183 -0.948 . . . . 0.40000000000000002 109.023 179.8 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.66 -45.4 94.19 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.351 -0.843 . . . . 1.5900000000000001 109.007 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -55.87 -35.75 66.85 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.325 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -27.91 67.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.65000000000000002 109.328 179.964 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.84 -20.31 31.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 1.1899999999999999 109.475 179.788 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.67 -22.02 60.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.269 -0.894 . . . . 1.22 109.33 179.802 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.54 -7.92 81.34 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.46 -1.456 . . . . 1.53 109.46 179.956 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.06 33.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.29 -1.123 . . . . 4.21 109.431 -179.874 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.35 151.31 3.87 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 5.6799999999999997 109.407 -179.263 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.23 -81.07 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.184 1.256 . . . . 5.5700000000000003 110.193 179.235 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.972 -1.46 . . . . 7.2000000000000002 109.583 -179.819 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' C' ' 320' ' ' LYS . 54.5 mttp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.462 -0.57 . . . . 8.9600000000000009 109.462 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' C' ' 319' ' ' LYS . 70.7 tttt 57.54 109.04 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.34 -0.85 . . . . 8.1500000000000004 109.772 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 35.0 tttm 57.17 77.51 0.41 Allowed Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.404 -0.81 . . . . 7.1500000000000004 109.242 -179.968 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -56.78 -32.84 92.83 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 121.469 1.446 . . . . 4.3499999999999996 110.221 -179.138 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.86 97.21 7.91 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.244 -0.91 . . . . 4.6299999999999999 108.783 179.418 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.502 ' CB ' ' HE ' ' A' ' 333' ' ' ARG . 2.7 m-20 -81.5 -148.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.507 -0.746 . . . . 2.8500000000000001 109.981 -179.488 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.86 176.2 29.75 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.78 -1.328 . . . . 1.1200000000000001 109.78 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.22 137.16 58.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.11 . . . . 2.1099999999999999 109.688 179.969 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 36.2 m-85 -96.47 152.71 18.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 109.63 179.841 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.39 133.32 30.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.219 -0.925 . . . . 0.48999999999999999 108.592 179.021 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.3 p -92.65 165.01 13.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.408 -0.808 . . . . 0.46999999999999997 109.385 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.6 130.95 15.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.363 -0.836 . . . . 0.41999999999999998 109.65 -179.766 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.561 HE22 ' N ' ' C' ' 333' ' ' ARG . 3.4 tm0? -86.33 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.745 . . . . 1.8100000000000001 109.446 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.53 ' C ' HE22 ' C' ' 331' ' ' GLN . 57.8 mt -124.31 107.52 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 121.572 -0.705 . . . . 0.41999999999999998 109.31 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.561 ' N ' HE22 ' C' ' 331' ' ' GLN . 0.3 OUTLIER -74.97 125.47 28.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.811 . . . . 2.3500000000000001 109.461 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.45 5.99 Favored Glycine 0 N--CA 1.501 3.019 0 N-CA-C 110.104 -1.198 . . . . 0.40999999999999998 110.104 179.167 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.18 12.35 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.497 -1.002 . . . . 2.5899999999999999 109.037 179.675 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' C' ' 336' ' ' GLU . 1.5 mp0 -57.47 -39.64 76.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 2.54 108.749 179.516 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.623 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.37 -41.31 84.46 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.211 -0.931 . . . . 3.3900000000000001 109.374 179.733 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -56.65 -58.05 9.76 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.645 -0.659 . . . . 0.46999999999999997 109.902 -179.801 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.32 -39.73 46.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.989 -179.474 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.6 ttp -64.16 -54.61 31.07 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.134 -0.979 . . . . 0.60999999999999999 110.387 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.13 -46.38 90.8 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.03 -1.044 . . . . 0.33000000000000002 108.907 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.32 -42.26 52.42 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.283 -0.886 . . . . 3.2799999999999998 109.347 179.73 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -60.02 -54.24 48.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 1.78 109.838 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.191 -0.943 . . . . 0.38 108.752 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.402 ' O ' ' CD ' ' C' ' 349' ' ' GLU . 21.0 t-20 -58.4 -57.0 14.83 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 1.2 109.386 179.474 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.13 -33.79 71.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.306 -0.871 . . . . 2.1200000000000001 109.77 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.64 -47.83 84.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.26000000000000001 109.671 -179.724 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.42 -49.9 73.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.366 -0.834 . . . . 0.40000000000000002 109.92 -179.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' C' ' 345' ' ' ASN . 3.3 mp0 -58.16 -33.23 68.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.098 -1.001 . . . . 2.0899999999999999 109.408 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -64.91 -53.01 53.27 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.12 -0.988 . . . . 0.75 109.026 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.77 -45.3 94.47 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.425 -0.797 . . . . 2.1899999999999999 108.995 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.85 -35.8 66.84 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.578 -0.702 . . . . 1.3400000000000001 109.337 179.636 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -27.93 67.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 0.71999999999999997 109.3 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -84.86 -20.33 30.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.165 -0.959 . . . . 1.8 109.417 179.85 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.03 60.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 1.3899999999999999 109.322 179.828 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.8 81.39 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.482 -1.447 . . . . 1.6599999999999999 109.482 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 125.08 33.65 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.23 -1.159 . . . . 4.4500000000000002 109.421 -179.913 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.39 151.4 3.86 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 6.1900000000000004 109.424 -179.299 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.41 -81.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 121.199 1.266 . . . . 5.5800000000000001 110.1 179.364 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.94 -1.478 . . . . 6.9000000000000004 109.521 -179.834 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 320' ' ' LYS . 54.4 mttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.494 -0.558 . . . . 7.3600000000000003 109.494 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' D' ' 319' ' ' LYS . 70.5 tttt 57.47 109.02 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.384 -0.822 . . . . 7.1500000000000004 109.799 179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 35.0 tttm 57.19 77.48 0.41 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.484 -0.76 . . . . 6.5 109.209 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -56.77 -32.83 92.69 Favored 'Trans proline' 0 C--N 1.323 -0.789 0 C-N-CA 121.475 1.45 . . . . 4.5 110.248 -179.174 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 20.0 mt -81.88 97.2 7.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.213 -0.93 . . . . 4.3200000000000003 108.817 179.372 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.491 ' CB ' ' HE ' ' B' ' 333' ' ' ARG . 2.6 m-20 -81.44 -148.26 0.07 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.769 . . . . 2.46 109.916 -179.466 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.86 176.16 29.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.823 -1.311 . . . . 0.96999999999999997 109.823 -179.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.15 137.15 58.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.331 -1.099 . . . . 1.6699999999999999 109.696 -179.983 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 36.8 m-85 -96.49 152.7 18.37 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.613 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -139.43 133.37 30.9 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.57 -0.9 . . . . 0.56000000000000005 108.57 178.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.5 p -92.72 165.1 13.12 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.433 -0.792 . . . . 0.42999999999999999 109.294 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.59 130.9 15.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.34999999999999998 109.62 -179.681 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.56 HE22 ' N ' ' D' ' 333' ' ' ARG . 3.4 tm0? -86.39 129.75 34.75 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.3700000000000001 109.43 179.883 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.528 ' C ' HE22 ' D' ' 331' ' ' GLN . 57.7 mt -124.24 107.47 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.542 -0.724 . . . . 0.47999999999999998 109.333 -179.863 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.56 ' N ' HE22 ' D' ' 331' ' ' GLN . 0.3 OUTLIER -74.86 125.39 28.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.401 -0.812 . . . . 2.0800000000000001 109.531 179.889 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 115.55 136.5 6.0 Favored Glycine 0 N--CA 1.501 3.023 0 N-CA-C 110.121 -1.191 . . . . 0.40000000000000002 110.121 179.166 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -78.25 -50.3 12.12 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -1.05 . . . . 2.6400000000000001 108.969 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.39 -39.61 76.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.798 179.556 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.621 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.45 -41.15 84.5 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.189 -0.944 . . . . 2.7400000000000002 109.412 179.69 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -56.83 -58.03 9.88 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.695 -0.628 . . . . 0.42999999999999999 109.818 -179.785 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.3 -39.68 46.28 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 110.037 -179.493 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.5 ttp -64.24 -54.49 32.56 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.047 -1.033 . . . . 0.42999999999999999 110.443 -179.196 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -61.25 -46.17 91.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.097 -1.002 . . . . 0.27000000000000002 108.955 -179.691 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -50.54 -42.14 54.89 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.353 -0.842 . . . . 2.4500000000000002 109.33 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -60.16 -54.11 49.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.935 . . . . 1.75 109.885 -179.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.07 -39.42 85.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.191 -0.943 . . . . 0.31 108.688 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.401 ' O ' ' CD ' ' D' ' 349' ' ' GLU . 20.9 t-20 -58.37 -56.99 14.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.292 -0.88 . . . . 1.22 109.314 179.6 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.26 -33.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 1.73 109.8 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.764 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.58 -47.91 83.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.179 -0.95 . . . . 0.28000000000000003 109.686 -179.798 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.38 -49.96 73.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.45 -0.782 . . . . 0.31 109.882 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' D' ' 345' ' ' ASN . 3.3 mp0 -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.093 -1.005 . . . . 1.9099999999999999 109.374 -179.625 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.607 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -64.86 -52.99 53.64 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 109.076 179.843 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.78 -45.27 94.62 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.847 . . . . 1.5700000000000001 109.029 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -55.98 -35.74 67.08 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.49 -0.756 . . . . 1.4399999999999999 109.36 179.674 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -27.88 67.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.64000000000000001 109.265 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -84.82 -20.33 31.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.21 109.454 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.68 -21.95 60.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.256 -0.902 . . . . 1.22 109.329 179.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -7.85 81.42 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.479 -1.448 . . . . 1.5 109.479 179.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -86.72 124.94 33.54 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.304 -1.115 . . . . 4.1799999999999997 109.462 -179.873 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.36 151.38 3.84 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 5.6699999999999999 109.418 -179.243 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -59.3 -81.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 121.145 1.23 . . . . 5.6500000000000004 110.128 179.328 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.436 0 CA-C-O 117.967 -1.463 . . . . 7.2699999999999996 109.537 -179.692 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.457 -0.571 . . . . 7.3300000000000001 109.457 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 319' ' ' LYS . 18.0 mtpp 59.12 153.39 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 7.21 109.53 -179.836 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' A' ' 323' ' ' LEU . 63.7 mttm 52.11 69.82 2.24 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 6.4699999999999998 109.485 -179.691 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.39 24.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.32 -0.961 0 C-N-CA 121.825 1.683 . . . . 4.5300000000000002 110.583 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.548 ' H ' ' C ' ' A' ' 321' ' ' LYS . 4.1 mm? -79.9 11.72 3.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.943 -1.098 . . . . 4.3499999999999996 109.408 -179.874 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.45 -150.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 2.48 109.306 179.858 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 147.37 46.58 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.423 -1.471 . . . . 0.97999999999999998 109.423 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.67 142.31 53.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -1.106 . . . . 1.7 109.38 -179.941 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -92.66 153.5 18.93 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.60999999999999999 109.297 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -139.63 -171.86 3.24 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.249 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.3 p -152.27 149.41 28.66 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.41999999999999998 108.927 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.67 132.66 24.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.327 -0.858 . . . . 0.35999999999999999 109.736 -178.844 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -85.47 128.36 34.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.831 -0.803 . . . . 1.3700000000000001 108.831 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.8 mt -124.12 118.36 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.54 -0.725 . . . . 0.46999999999999997 109.492 -179.773 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.1 149.77 37.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.496 -0.753 . . . . 2.1000000000000001 109.735 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 137.24 6.08 Favored Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.568 -1.013 . . . . 0.41999999999999998 110.568 179.049 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.23 -54.45 5.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.446 -1.032 . . . . 2.6800000000000002 109.227 179.548 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.72 -40.74 80.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.188 -0.945 . . . . 2.2200000000000002 108.591 179.586 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -62.63 -44.76 95.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.357 -0.979 . . . . 2.77 108.357 179.248 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.23 -55.26 37.0 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.679 -0.638 . . . . 0.42999999999999999 109.374 179.407 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.2 -35.19 25.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 1.6599999999999999 109.893 -179.556 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.62 -52.29 63.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.087 -1.008 . . . . 0.44 109.804 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.54 -46.36 90.44 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.27 -0.894 . . . . 0.28999999999999998 109.36 -179.922 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.23 -43.77 53.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.192 -0.942 . . . . 2.4399999999999999 109.214 179.717 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.8 -42.8 98.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.199 -0.938 . . . . 1.74 109.398 179.677 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.47 -48.26 80.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.268 -0.895 . . . . 0.29999999999999999 109.202 179.78 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -57.56 -46.82 83.48 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.117 -0.989 . . . . 1.22 109.097 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.24 -40.01 92.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 1.72 109.041 179.664 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.67 -53.63 56.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.459 -0.776 . . . . 0.27000000000000002 109.511 -179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.81 -43.52 98.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.361 -0.837 . . . . 0.28999999999999998 109.144 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.12 -35.52 75.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.24 -0.913 . . . . 1.9099999999999999 109.314 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.88 -50.23 69.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 0.40999999999999998 109.411 -179.824 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.83 -46.91 85.73 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 1.5600000000000001 109.04 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.98 66.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.544 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -46.13 74.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -0.914 . . . . 0.66000000000000003 109.758 -179.75 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -80.98 -0.6 40.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.1799999999999999 109.754 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.507 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.41 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.215 -0.928 . . . . 1.23 109.761 -179.88 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.86 15.39 0.5 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 110.12 -1.192 . . . . 1.54 110.12 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 355' ' ' ALA . 60.2 tttp -85.28 113.94 21.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.052 -1.264 . . . . 4.1799999999999997 109.315 179.836 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.48 154.84 2.91 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 5.71 109.209 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -56.08 138.62 83.33 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 121.187 1.258 . . . . 5.6100000000000003 110.192 179.612 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.43 -1.468 . . . . 7.2400000000000002 109.43 179.677 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 320' ' ' LYS . 59.8 mttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.469 -0.567 . . . . 7.3399999999999999 109.469 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 319' ' ' LYS . 18.1 mtpp 59.21 153.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.503 -0.748 . . . . 7.1699999999999999 109.555 -179.83 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' B' ' 323' ' ' LEU . 63.6 mttm 52.08 69.97 2.16 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 6.4400000000000004 109.449 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.64 25.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.319 -0.988 0 C-N-CA 121.771 1.647 . . . . 4.54 110.522 -179.697 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' B' ' 321' ' ' LYS . 4.1 mm? -79.9 11.65 3.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.014 -1.054 . . . . 4.3200000000000003 109.423 -179.967 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.42 -150.89 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 2.4700000000000002 109.315 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 147.36 46.81 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.509 -1.436 . . . . 0.94999999999999996 109.509 179.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.68 142.32 53.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.296 -1.12 . . . . 1.6100000000000001 109.431 179.977 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -92.6 153.49 18.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.56999999999999995 109.302 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -139.72 -171.83 3.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.316 -0.865 . . . . 0.53000000000000003 109.265 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.3 149.56 28.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.967 . . . . 0.38 108.868 -179.956 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 55.3 tp -142.78 132.53 23.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.308 -0.87 . . . . 0.35999999999999999 109.708 -178.757 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.37 128.34 34.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.84 -0.8 . . . . 1.3600000000000001 108.84 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 40.1 mt -124.17 118.15 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.458 -0.776 . . . . 0.48999999999999999 109.562 -179.737 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.89 149.67 37.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.513 -0.742 . . . . 2.1000000000000001 109.861 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.12 137.37 6.19 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 110.538 -1.025 . . . . 0.44 110.538 179.048 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.3 -54.42 5.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.388 -1.066 . . . . 2.7200000000000002 109.318 179.426 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.71 -40.78 80.35 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.039 -1.038 . . . . 2.21 108.663 179.497 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.326 -0.99 . . . . 2.79 108.326 179.211 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.25 -55.3 36.58 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.646 -0.659 . . . . 0.45000000000000001 109.38 179.344 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -50.25 -35.13 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.409 -0.807 . . . . 1.6799999999999999 109.84 -179.453 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.6 ttp -62.64 -52.37 63.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.221 -0.924 . . . . 0.42999999999999999 109.757 -179.615 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.228 -0.92 . . . . 0.28000000000000003 109.365 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.31 -43.74 53.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 2.52 109.149 179.761 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.76 -42.81 98.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.324 -0.86 . . . . 1.75 109.376 179.691 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.54 -48.21 80.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.31 109.166 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.64 -46.77 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.141 -0.974 . . . . 1.21 109.007 179.683 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.27 -39.92 92.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 1.6899999999999999 109.057 179.708 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.618 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.77 -53.64 56.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.403 -0.811 . . . . 0.27000000000000002 109.462 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.7 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.883 . . . . 0.29999999999999999 109.15 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.99 -35.58 75.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.372 -0.83 . . . . 1.9299999999999999 109.354 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 31.7 tp -63.89 -50.27 69.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.40000000000000002 109.336 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.85 -46.83 86.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.343 -0.848 . . . . 1.5900000000000001 109.043 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.51 -31.92 66.52 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.438 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.12 73.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.65000000000000002 109.676 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -81.06 -0.47 40.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.875 . . . . 1.1899999999999999 109.649 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.55 -81.07 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.15 -0.969 . . . . 1.22 109.637 -179.863 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.75 15.37 0.48 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.173 -1.171 . . . . 1.53 110.173 -179.63 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' B' ' 355' ' ' ALA . 60.1 tttp -85.36 113.93 22.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.032 -1.275 . . . . 4.21 109.301 179.857 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.43 154.77 2.9 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 5.6799999999999997 109.293 -179.673 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -56.05 138.7 83.47 Favored 'Trans proline' 0 C--N 1.325 -0.684 0 C-N-CA 121.142 1.228 . . . . 5.5700000000000003 110.219 179.643 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.39 -1.484 . . . . 7.2000000000000002 109.39 179.736 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' C' ' 320' ' ' LYS . 59.9 mttp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.487 -0.56 . . . . 8.9600000000000009 109.487 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' C' ' 319' ' ' LYS . 18.0 mtpp 59.12 153.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.421 -0.799 . . . . 8.1500000000000004 109.488 -179.798 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' C ' ' H ' ' C' ' 323' ' ' LEU . 63.7 mttm 52.11 69.81 2.24 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.897 . . . . 7.1500000000000004 109.446 -179.738 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.44 24.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.32 -0.951 0 C-N-CA 121.796 1.664 . . . . 4.3499999999999996 110.633 -179.785 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' C' ' 321' ' ' LYS . 4.1 mm? -79.88 11.7 3.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.956 -1.09 . . . . 4.6299999999999999 109.451 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.36 -150.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 2.8500000000000001 109.29 179.859 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 147.44 46.9 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.445 -1.462 . . . . 1.1200000000000001 109.445 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.89 142.28 53.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.387 -1.066 . . . . 2.1099999999999999 109.389 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -92.62 153.54 18.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 0.64000000000000001 109.329 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.67 -171.86 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 0.48999999999999999 109.262 -179.832 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.2 p -152.23 149.64 28.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.293 -0.88 . . . . 0.46999999999999997 108.857 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.81 132.52 23.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 0.41999999999999998 109.729 -178.822 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -85.34 128.35 34.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 1.8100000000000001 108.914 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.7 mt -124.16 118.28 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.408 -0.808 . . . . 0.41999999999999998 109.511 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -76.04 149.71 37.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.534 -0.729 . . . . 2.3500000000000001 109.765 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.13 137.41 6.21 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.481 -1.047 . . . . 0.40999999999999998 110.481 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.31 -54.52 4.94 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.341 -1.094 . . . . 2.5899999999999999 109.26 179.44 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.64 -40.84 80.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.102 -0.999 . . . . 2.54 108.634 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.358 -0.979 . . . . 3.3900000000000001 108.358 179.252 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.31 -55.31 36.44 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.384 0.612 . . . . 0.46999999999999997 109.382 179.359 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -50.2 -35.19 25.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.821 . . . . 1.6599999999999999 109.882 -179.494 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.67 -52.25 64.05 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.168 -0.958 . . . . 0.60999999999999999 109.785 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -60.64 -46.25 91.01 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.25 -0.906 . . . . 0.33000000000000002 109.293 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -50.33 -43.73 54.05 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 3.2799999999999998 109.123 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.92 -42.69 98.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.316 -0.865 . . . . 1.78 109.372 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.46 -48.34 80.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.237 -0.914 . . . . 0.38 109.16 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.57 -46.84 83.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -0.972 . . . . 1.2 109.017 179.741 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.18 -40.04 92.42 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.047 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -53.69 55.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.459 -0.776 . . . . 0.26000000000000001 109.476 -179.932 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.7 -43.7 98.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.327 -0.858 . . . . 0.40000000000000002 109.167 179.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.81 -35.68 75.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.292 -0.88 . . . . 2.0899999999999999 109.311 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.444 HD11 HE22 ' D' ' 354' ' ' GLN . 31.6 tp -63.82 -50.18 69.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.321 -0.862 . . . . 0.75 109.423 -179.794 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -62.81 -47.0 85.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.397 -0.815 . . . . 2.1899999999999999 108.987 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.43 -31.93 66.38 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.568 -0.708 . . . . 1.3400000000000001 109.49 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -46.17 73.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.203 -0.935 . . . . 0.71999999999999997 109.715 -179.653 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.461 HE22 HD11 ' D' ' 350' ' ' LEU . 27.3 mt-30 -80.96 -0.61 40.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 1.8 109.739 -179.751 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.46 -80.91 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.2 -0.937 . . . . 1.3899999999999999 109.775 -179.873 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.79 15.34 0.49 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.076 -1.21 . . . . 1.6599999999999999 110.076 -179.716 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' C' ' 355' ' ' ALA . 60.2 tttp -85.34 113.91 22.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.058 -1.26 . . . . 4.4500000000000002 109.35 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.49 154.88 2.9 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 109.21 -179.612 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -56.08 138.61 83.28 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.18 1.253 . . . . 5.5800000000000001 110.19 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 109.456 -1.457 . . . . 6.9000000000000004 109.456 179.643 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' D' ' 320' ' ' LYS . 59.8 mttp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.422 -0.584 . . . . 7.3600000000000003 109.422 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' D' ' 319' ' ' LYS . 18.0 mtpp 59.19 153.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.473 -0.767 . . . . 7.1500000000000004 109.568 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' D' ' 323' ' ' LEU . 63.7 mttm 52.07 69.9 2.2 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.196 -0.94 . . . . 6.5 109.524 -179.644 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -65.49 24.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.321 -0.914 0 C-N-CA 121.809 1.673 . . . . 4.5 110.556 -179.69 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.544 ' H ' ' C ' ' D' ' 321' ' ' LYS . 4.1 mm? -79.97 11.78 3.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.887 -1.133 . . . . 4.3200000000000003 109.389 -179.818 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.42 -150.8 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 2.46 109.293 179.86 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 147.35 46.57 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.506 -1.438 . . . . 0.96999999999999997 109.506 -179.987 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.61 142.25 53.23 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -1.086 . . . . 1.6699999999999999 109.473 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.55 153.55 18.98 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.60999999999999999 109.393 179.792 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -139.72 -171.85 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.328 -0.857 . . . . 0.56000000000000005 109.195 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -152.32 149.45 28.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.232 -0.917 . . . . 0.42999999999999999 108.897 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -142.66 132.59 24.28 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.343 -0.848 . . . . 0.34999999999999998 109.792 -178.799 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -85.4 128.38 34.7 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.368 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -124.21 118.19 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.499 -0.75 . . . . 0.47999999999999998 109.488 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -75.88 149.73 37.73 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.509 -0.744 . . . . 2.0800000000000001 109.815 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 137.4 6.14 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.486 -1.045 . . . . 0.40000000000000002 110.486 178.994 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -83.29 -54.52 4.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.441 -1.035 . . . . 2.6400000000000001 109.273 179.468 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -57.62 -40.83 80.07 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.051 -1.031 . . . . 2.2200000000000002 108.631 179.478 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -62.62 -44.64 95.78 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.401 -0.963 . . . . 2.7400000000000002 108.401 179.223 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -57.32 -55.23 37.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.655 -0.653 . . . . 0.42999999999999999 109.398 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -50.25 -35.05 25.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 1.6899999999999999 109.905 -179.552 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttp -62.82 -52.27 63.8 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.179 -0.951 . . . . 0.42999999999999999 109.726 -179.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.56 -46.32 90.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.171 -0.956 . . . . 0.27000000000000002 109.365 -179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -50.3 -43.7 53.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 2.4500000000000002 109.177 179.769 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.83 -42.76 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 1.75 109.342 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.52 -48.18 80.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.31 109.231 179.768 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -57.63 -46.9 83.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.116 -0.99 . . . . 1.22 108.967 179.675 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.23 -39.97 92.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 1.73 109.042 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -53.63 56.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 0.28000000000000003 109.518 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.62 -43.76 98.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.31 109.125 179.903 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -59.99 -35.58 75.31 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 1.9099999999999999 109.338 179.906 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.461 HD11 HE22 ' C' ' 354' ' ' GLN . 31.7 tp -63.8 -50.26 69.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 0.42999999999999999 109.375 -179.872 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.92 -46.92 85.55 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 1.5700000000000001 109.033 179.79 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.42 -31.88 66.32 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.632 -0.667 . . . . 1.4399999999999999 109.497 179.734 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -46.14 73.85 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.64000000000000001 109.746 -179.71 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.444 HE22 HD11 ' C' ' 350' ' ' LEU . 27.4 mt-30 -80.91 -0.67 40.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.176 -0.953 . . . . 1.21 109.692 -179.722 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.51 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.158 -0.964 . . . . 1.22 109.689 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -67.73 15.28 0.48 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.205 -1.158 . . . . 1.5 110.205 -179.667 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' D' ' 355' ' ' ALA . 60.1 tttp -85.29 113.91 21.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.043 -1.269 . . . . 4.1799999999999997 109.274 179.869 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -51.41 154.81 2.84 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.358 -0.838 . . . . 5.6699999999999999 109.255 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -56.07 138.65 83.39 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 121.224 1.283 . . . . 5.6500000000000004 110.218 179.56 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.391 -1.484 . . . . 7.2699999999999996 109.391 179.753 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.457 -0.572 . . . . 7.3300000000000001 109.457 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 57.3 mttp 53.36 -123.61 2.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.421 -0.8 . . . . 7.21 109.921 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 51.8 67.06 4.45 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 6.4699999999999998 109.377 -179.413 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.0 1.07 2.09 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 121.475 1.45 . . . . 4.5300000000000002 110.28 -179.48 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.62 87.58 6.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.961 -1.087 . . . . 4.3499999999999996 109.647 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -86.01 -138.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.482 -0.761 . . . . 2.48 109.323 179.578 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.2 170.41 41.59 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.392 -1.483 . . . . 0.97999999999999998 109.392 179.787 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.69 131.41 50.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.182 -1.187 . . . . 1.7 109.63 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -94.0 162.08 14.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.257 -0.902 . . . . 0.60999999999999999 109.619 179.875 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.19 -171.73 3.26 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.275 -0.89 . . . . 0.57999999999999996 109.347 179.699 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.64 144.51 24.44 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.205 -0.934 . . . . 0.41999999999999998 109.08 -179.751 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.71 136.69 37.6 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.483 -0.761 . . . . 0.35999999999999999 110.158 -178.702 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' C' ' 327' ' ' TYR . 56.8 tt0 -86.04 130.74 34.44 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.906 -0.775 . . . . 1.3700000000000001 108.906 179.155 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.0 mt -123.45 117.39 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.491 -0.755 . . . . 0.46999999999999997 109.247 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.33 151.5 39.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.578 -0.702 . . . . 2.1000000000000001 109.746 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.44 135.27 3.03 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.434 -1.067 . . . . 0.41999999999999998 110.434 179.094 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.91 -50.55 10.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.482 -1.011 . . . . 2.6800000000000002 109.288 179.612 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.76 -35.42 72.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.118 -0.989 . . . . 2.2200000000000002 108.774 179.873 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.525 ' H ' ' CD ' ' A' ' 336' ' ' GLU . 10.0 tpp180 -65.4 -41.46 93.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.277 -0.889 . . . . 2.77 109.004 179.581 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -55.37 -53.02 61.41 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.501 -0.749 . . . . 0.42999999999999999 109.941 -179.918 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.36 55.71 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 110.005 -179.55 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.32 -51.85 64.3 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.243 -0.911 . . . . 0.44 110.317 -179.3 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.94 -47.12 87.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.255 -0.903 . . . . 0.28999999999999998 109.289 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.39 -43.75 54.66 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.22 -0.925 . . . . 2.4399999999999999 109.34 179.835 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.29 93.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.213 -0.929 . . . . 1.74 109.524 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.46 -47.61 83.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 0.29999999999999999 109.233 179.857 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -58.29 -47.51 83.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.193 -0.942 . . . . 1.22 109.476 179.827 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.15 -36.61 80.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.384 -0.822 . . . . 1.72 109.395 -179.947 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -46.67 88.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.27000000000000002 109.201 179.88 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.495 HD22 ' NH1' ' C' ' 337' ' ' ARG . 44.0 mt -62.58 -48.22 80.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.485 -0.759 . . . . 0.28999999999999998 109.463 179.758 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.64 -34.59 72.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 1.9099999999999999 109.431 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.63 -49.07 72.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.401 -0.812 . . . . 0.40999999999999998 109.339 -179.779 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.285 -0.884 . . . . 1.5600000000000001 108.916 179.495 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.37 -33.06 69.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.581 -0.699 . . . . 1.4299999999999999 109.557 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -45.36 77.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 0.66000000000000003 109.658 -179.667 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 47.9 mt-30 -81.53 -6.49 59.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.874 . . . . 1.1799999999999999 109.546 -179.877 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.73 61.66 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.23 109.632 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -9.74 77.93 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.653 -1.379 . . . . 1.54 109.653 -179.938 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.6 100.63 12.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -1.15 . . . . 4.1799999999999997 109.501 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.628 ' H ' ' CD ' ' A' ' 358' ' ' GLU . 1.7 pm0 -51.34 150.48 6.24 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.344 -0.847 . . . . 5.71 109.355 -179.708 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -57.05 140.48 92.74 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 121.021 1.147 . . . . 5.6100000000000003 110.052 179.456 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.446 -1.462 . . . . 7.2400000000000002 109.446 179.776 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.424 -0.584 . . . . 7.3399999999999999 109.424 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 53.33 -123.58 2.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 7.1699999999999999 109.956 179.79 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 51.73 67.21 4.33 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.934 . . . . 6.4400000000000004 109.389 -179.414 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.23 1.18 2.14 Favored 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 121.512 1.475 . . . . 4.54 110.254 -179.391 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.7 87.57 6.74 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.021 -1.05 . . . . 4.3200000000000003 109.677 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.97 -138.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.738 . . . . 2.4700000000000002 109.327 179.558 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.17 170.43 41.46 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.4 -1.48 . . . . 0.94999999999999996 109.4 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' D' ' 335' ' ' ARG . 48.5 mt-10 -59.74 131.4 50.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.215 -1.168 . . . . 1.6100000000000001 109.602 -179.927 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.99 162.12 14.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.223 -0.923 . . . . 0.56999999999999995 109.583 179.873 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.12 -171.71 3.25 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.328 -0.857 . . . . 0.53000000000000003 109.414 179.711 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.9 p -151.81 144.36 24.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.151 -0.968 . . . . 0.38 109.133 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 63.8 tp -137.5 136.85 38.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.4 -0.812 . . . . 0.35999999999999999 110.251 -178.666 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.21 130.66 34.45 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.934 -0.765 . . . . 1.3600000000000001 108.934 179.172 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.32 117.46 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.459 -0.775 . . . . 0.48999999999999999 109.244 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -74.5 151.53 39.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.526 -0.734 . . . . 2.1000000000000001 109.704 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.51 135.28 3.07 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 110.385 -1.086 . . . . 0.44 110.385 179.072 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -79.98 -50.52 10.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.442 -1.034 . . . . 2.7200000000000002 109.331 179.556 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.79 -35.3 72.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.156 -0.965 . . . . 2.21 108.834 179.857 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.537 ' H ' ' CD ' ' B' ' 336' ' ' GLU . 10.0 tpp180 -65.42 -41.51 93.48 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.263 -0.898 . . . . 2.79 108.985 179.52 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.27 -53.14 59.89 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.498 -0.752 . . . . 0.45000000000000001 109.902 -179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.32 -37.37 55.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 1.6799999999999999 109.989 -179.436 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.34 -51.71 64.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 110.367 -179.325 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.02 -47.14 87.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.103 -0.998 . . . . 0.28000000000000003 109.295 -179.797 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.42 -43.69 54.91 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.287 -0.883 . . . . 2.52 109.348 179.836 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.35 -45.26 94.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.75 109.597 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.48 -47.55 83.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.31 109.234 179.837 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -58.39 -47.39 84.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.161 -0.962 . . . . 1.21 109.432 179.876 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.24 -36.6 80.41 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 109.339 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.04 -46.71 88.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.27000000000000002 109.159 179.883 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.469 HD22 ' NH1' ' D' ' 337' ' ' ARG . 44.4 mt -62.56 -48.36 79.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.486 -0.759 . . . . 0.29999999999999999 109.445 179.801 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.54 -34.48 72.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.327 -0.858 . . . . 1.9299999999999999 109.53 179.907 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.5 tp -64.62 -49.14 72.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.284 -0.885 . . . . 0.40000000000000002 109.368 -179.902 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -47.99 77.19 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.363 -0.836 . . . . 1.5900000000000001 108.919 179.464 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.27 -33.17 69.11 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.671 -0.643 . . . . 1.4299999999999999 109.617 179.757 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.3 78.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.757 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.447 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 48.0 mt-30 -81.58 -6.5 59.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 1.1899999999999999 109.53 -179.894 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.88 -24.84 61.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.22 109.633 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.51 -9.81 78.14 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.7 -1.36 . . . . 1.53 109.7 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.56 100.64 12.94 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.237 -1.154 . . . . 4.21 109.474 -179.945 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' B' ' 358' ' ' GLU . 1.7 pm0 -51.38 150.5 6.3 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.253 -0.905 . . . . 5.6799999999999997 109.338 -179.727 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.08 140.44 92.69 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 121.041 1.161 . . . . 5.5700000000000003 110.059 179.511 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.972 -1.46 . . . . 7.2000000000000002 109.485 179.782 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.31 0.576 . . . . 8.9600000000000009 109.465 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 53.37 -123.59 2.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.378 -0.826 . . . . 8.1500000000000004 109.851 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 51.8 67.08 4.43 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 7.1500000000000004 109.367 -179.406 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.04 1.05 2.13 Favored 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.546 1.497 . . . . 4.3499999999999996 110.344 -179.492 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.6 87.66 6.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.935 -1.103 . . . . 4.6299999999999999 109.646 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -86.05 -138.8 0.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.705 . . . . 2.8500000000000001 109.295 179.58 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.19 170.51 41.36 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.418 -1.473 . . . . 1.1200000000000001 109.418 179.774 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.88 131.36 50.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.231 -1.158 . . . . 2.1099999999999999 109.628 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.414 ' HB3' HE21 ' A' ' 331' ' ' GLN . 76.2 m-85 -93.89 162.06 14.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.289 -0.882 . . . . 0.64000000000000001 109.685 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -140.14 -171.66 3.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.291 -0.881 . . . . 0.48999999999999999 109.336 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.6 p -151.7 144.49 24.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.14 -0.975 . . . . 0.46999999999999997 109.025 -179.778 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 64.2 tp -137.64 136.86 37.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.427 -0.796 . . . . 0.41999999999999998 110.115 -178.71 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.23 130.71 34.43 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.896 -0.779 . . . . 1.8100000000000001 108.896 179.163 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.2 mt -123.37 117.4 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.41999999999999998 109.225 -179.935 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -74.4 151.59 39.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.639 -0.663 . . . . 2.3500000000000001 109.669 -179.969 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.41 135.26 3.02 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.471 -1.051 . . . . 0.40999999999999998 110.471 179.103 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -79.95 -50.44 10.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.068 . . . . 2.5899999999999999 109.368 179.522 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.85 -35.3 72.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.177 -0.952 . . . . 2.54 108.799 179.846 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.534 ' H ' ' CD ' ' C' ' 336' ' ' GLU . 9.9 tpp180 -65.47 -41.5 93.28 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.217 -0.927 . . . . 3.3900000000000001 108.929 179.599 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.33 -53.05 61.07 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.568 -0.707 . . . . 0.46999999999999997 109.957 -179.952 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.34 -37.27 55.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.6599999999999999 110.043 -179.533 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.2 ttp -63.54 -51.74 64.15 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.204 -0.935 . . . . 0.60999999999999999 110.289 -179.257 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -60.84 -47.19 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.94 . . . . 0.33000000000000002 109.36 -179.857 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.35 -43.82 54.25 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.178 -0.951 . . . . 3.2799999999999998 109.317 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.3 -45.23 94.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.265 -0.897 . . . . 1.78 109.61 179.936 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.45 -47.65 83.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 0.38 109.166 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.26 -47.55 83.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.136 -0.978 . . . . 1.2 109.411 179.932 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.5 80.07 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.209 -0.932 . . . . 2.1200000000000001 109.409 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -46.77 88.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.23 -0.919 . . . . 0.26000000000000001 109.174 179.823 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' A' ' 337' ' ' ARG . 44.2 mt -62.48 -48.25 80.43 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.459 -0.776 . . . . 0.40000000000000002 109.561 179.748 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.62 -34.57 72.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.458 179.925 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.5 -49.24 72.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.75 109.354 -179.898 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.4 -47.94 77.29 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.345 -0.847 . . . . 2.1899999999999999 108.938 179.539 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.32 -33.09 69.11 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.547 -0.721 . . . . 1.3400000000000001 109.574 179.764 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.4 77.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.387 -0.82 . . . . 0.71999999999999997 109.708 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.468 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 47.9 mt-30 -81.48 -6.51 59.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 1.8 109.604 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -24.7 61.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 1.3899999999999999 109.572 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -9.77 77.86 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.674 -1.37 . . . . 1.6599999999999999 109.674 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.61 100.48 12.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.24 -1.153 . . . . 4.4500000000000002 109.5 -179.893 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.636 ' H ' ' CD ' ' C' ' 358' ' ' GLU . 1.7 pm0 -51.23 150.43 6.01 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 6.1900000000000004 109.384 -179.697 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.07 140.35 92.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.081 1.187 . . . . 5.5800000000000001 110.129 179.449 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.932 -1.482 . . . . 6.9000000000000004 109.451 179.763 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.327 0.584 . . . . 7.3600000000000003 109.46 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 53.34 -123.71 2.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.36 -0.838 . . . . 7.1500000000000004 109.88 179.784 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 51.89 67.09 4.4 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 6.5 109.291 -179.478 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.09 1.15 2.09 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.507 1.471 . . . . 4.5 110.352 -179.511 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.1 mt -82.67 87.68 6.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.007 -1.058 . . . . 4.3200000000000003 109.627 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -86.01 -138.81 0.08 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.383 -0.823 . . . . 2.46 109.326 179.525 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.22 170.51 41.48 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.437 -1.465 . . . . 0.96999999999999997 109.437 179.73 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.75 131.4 50.79 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.262 -1.14 . . . . 1.6699999999999999 109.617 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -93.99 162.11 14.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.225 -0.922 . . . . 0.60999999999999999 109.551 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -140.1 -171.64 3.23 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.38 -0.825 . . . . 0.56000000000000005 109.408 179.69 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -151.84 144.43 24.22 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.209 -0.932 . . . . 0.42999999999999999 109.045 -179.83 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.58 136.82 37.92 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.395 -0.816 . . . . 0.34999999999999998 110.191 -178.649 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -86.17 130.75 34.42 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.931 -0.766 . . . . 1.3700000000000001 108.931 179.124 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.47 117.4 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.493 -0.755 . . . . 0.47999999999999998 109.194 -179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -74.43 151.56 39.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.568 -0.707 . . . . 2.0800000000000001 109.732 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.49 135.39 3.09 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.396 -1.081 . . . . 0.40000000000000002 110.396 179.06 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' B' ' 326' ' ' GLU . 41.3 ttm180 -80.06 -50.52 10.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -1.008 . . . . 2.6400000000000001 109.289 179.603 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.88 -35.32 72.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.15 -0.969 . . . . 2.2200000000000002 108.787 179.879 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.539 ' H ' ' CD ' ' D' ' 336' ' ' GLU . 10.0 tpp180 -65.34 -41.56 93.81 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.7400000000000002 109.058 179.464 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -55.33 -53.04 61.1 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.558 -0.714 . . . . 0.42999999999999999 109.95 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.38 -37.36 56.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.434 -0.791 . . . . 1.6899999999999999 109.974 -179.481 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.0 ttp -63.36 -51.71 64.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.141 -0.974 . . . . 0.42999999999999999 110.385 -179.324 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.96 -47.15 87.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.137 -0.977 . . . . 0.27000000000000002 109.27 -179.825 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.41 -43.72 54.87 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.23 -0.919 . . . . 2.4500000000000002 109.283 179.86 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -60.34 -45.35 93.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 1.75 109.483 -179.999 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.33 -47.72 83.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.223 -0.923 . . . . 0.31 109.238 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -58.36 -47.37 84.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.195 -0.941 . . . . 1.22 109.476 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -61.21 -36.52 80.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.292 -0.88 . . . . 1.73 109.448 -179.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.794 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.05 -46.65 88.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.28000000000000003 109.227 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.462 HD22 ' NH1' ' B' ' 337' ' ' ARG . 44.8 mt -62.64 -48.2 80.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.463 -0.773 . . . . 0.31 109.439 179.815 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -59.68 -34.54 73.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.447 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 tp -64.56 -49.17 72.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.42999999999999999 109.34 -179.883 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -64.32 -48.09 76.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.337 -0.852 . . . . 1.5700000000000001 108.884 179.542 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -58.2 -33.13 68.94 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.568 -0.708 . . . . 1.4399999999999999 109.589 179.802 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.38 77.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.28 -0.888 . . . . 0.64000000000000001 109.681 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.468 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 48.0 mt-30 -81.52 -6.52 59.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 1.21 109.559 -179.893 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.8 61.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 1.22 109.598 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -9.86 77.86 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.633 -1.387 . . . . 1.5 109.633 -179.91 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -87.53 100.57 12.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.164 -1.198 . . . . 4.1799999999999997 109.582 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' D' ' 358' ' ' GLU . 1.7 pm0 -51.38 150.47 6.33 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.319 -0.863 . . . . 5.6699999999999999 109.302 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.06 140.47 92.73 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 121.011 1.141 . . . . 5.6500000000000004 110.133 179.46 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.411 0 CA-C-O 117.937 -1.479 . . . . 7.2699999999999996 109.426 179.854 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.453 -0.573 . . . . 7.3300000000000001 109.453 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt 53.77 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.473 -0.767 . . . . 7.21 109.823 179.87 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' A' ' 319' ' ' LYS . 81.5 tttt 57.53 64.5 4.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.384 -0.823 . . . . 6.4699999999999998 110.154 179.948 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.15 155.03 67.41 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.506 1.471 . . . . 4.5300000000000002 109.72 179.758 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.64 101.66 9.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 4.3499999999999996 109.243 179.549 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.72 162.19 23.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 2.48 109.743 -179.835 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.37 -173.92 10.57 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.037 -1.225 . . . . 0.97999999999999998 110.037 -179.827 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.71 141.49 56.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.336 -1.097 . . . . 1.7 109.693 -179.884 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -98.76 153.47 18.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.317 -0.864 . . . . 0.60999999999999999 110.376 -179.864 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.96 135.37 34.28 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.309 -0.997 . . . . 0.57999999999999996 108.309 178.491 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 60.7 p -96.92 158.82 15.24 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.311 -0.868 . . . . 0.41999999999999998 109.705 -179.392 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.19 132.99 17.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.913 . . . . 0.35999999999999999 109.96 -179.253 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.48 34.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.43 -0.794 . . . . 1.3700000000000001 108.904 179.288 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.88 113.07 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.602 -0.686 . . . . 0.46999999999999997 109.445 -179.688 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.5 153.28 37.6 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.435 -0.791 . . . . 2.1000000000000001 109.803 179.423 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 134.98 4.79 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.265 -1.134 . . . . 0.41999999999999998 110.265 179.292 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 335' ' ' ARG . 19.5 ttt-85 -77.14 -50.67 12.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.365 -1.079 . . . . 2.6800000000000002 109.208 179.555 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -57.11 -38.02 72.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.2200000000000002 109.095 179.804 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.598 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.359 -0.838 . . . . 2.77 109.656 179.788 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -54.81 -57.17 12.63 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.549 -0.719 . . . . 0.42999999999999999 109.996 -179.533 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.75 -39.49 52.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 109.896 -179.616 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.55 -53.99 39.29 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.215 -0.928 . . . . 0.44 110.552 -179.149 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.14 -45.07 95.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.973 -1.079 . . . . 0.28999999999999998 109.004 -179.691 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.32 59.15 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.279 -0.888 . . . . 2.4399999999999999 109.42 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.6 -52.87 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 1.74 109.832 -179.86 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.55 -36.59 78.81 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.29999999999999999 108.717 179.791 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.1 -56.24 24.78 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.509 -0.744 . . . . 1.22 109.342 179.591 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.95 -31.83 73.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.454 -0.779 . . . . 1.72 109.621 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.17 -57.37 13.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.27000000000000002 110.223 -179.462 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.77 -44.35 96.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.28999999999999998 109.395 -179.723 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.93 -36.08 71.98 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 108.885 179.729 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.531 HD21 ' NE2' ' B' ' 354' ' ' GLN . 4.6 tp -64.48 -45.01 89.18 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.785 -0.821 . . . . 0.40999999999999998 108.785 179.678 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.969 0.89 . . . . 1.5600000000000001 108.792 179.196 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -52.38 -40.98 62.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 109.397 -0.594 . . . . 1.4299999999999999 109.397 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.35 83.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.285 -0.885 . . . . 0.66000000000000003 109.191 179.637 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.592 ' NE2' HD21 ' B' ' 350' ' ' LEU . 6.6 tt0 -82.95 -5.99 59.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.361 -0.837 . . . . 1.1799999999999999 109.564 179.929 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -87.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 1.23 109.816 -179.612 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.22 76.68 0.47 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.933 -1.267 . . . . 1.54 109.933 -179.649 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.74 131.72 34.27 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.222 -1.164 . . . . 4.1799999999999997 109.2 179.703 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.32 109.47 1.01 Allowed Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.324 -0.86 . . . . 5.71 109.587 -179.784 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.88 166.12 12.83 Favored 'Trans proline' 0 C--O 1.214 -0.693 0 C-N-CA 120.638 0.892 . . . . 5.6100000000000003 110.045 -179.621 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.451 0 CA-C-O 117.982 -1.455 . . . . 7.2400000000000002 109.547 179.959 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' B' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.521 -0.548 . . . . 7.3399999999999999 109.521 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 53.75 -84.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 7.1699999999999999 109.778 179.836 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 319' ' ' LYS . 81.4 tttt 57.54 64.52 4.08 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.401 -0.812 . . . . 6.4400000000000004 110.166 -179.966 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.12 155.08 66.98 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 121.472 1.448 . . . . 4.54 109.706 179.722 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -80.73 101.83 9.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.15 -0.969 . . . . 4.3200000000000003 109.165 179.542 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.88 162.24 22.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 2.4700000000000002 109.718 -179.838 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.36 -173.81 10.37 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 110.024 -1.23 . . . . 0.94999999999999996 110.024 -179.767 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.84 141.46 57.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.393 -1.063 . . . . 1.6100000000000001 109.709 -179.89 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.9 m-85 -98.76 153.48 18.71 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.295 -0.878 . . . . 0.56999999999999995 110.333 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.02 135.43 34.23 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.271 -1.011 . . . . 0.53000000000000003 108.271 178.494 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -96.97 158.75 15.28 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.271 -0.893 . . . . 0.38 109.7 -179.382 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.25 133.09 18.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.35999999999999999 109.968 -179.309 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.85 130.47 34.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.864 179.361 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -123.93 113.01 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.545 -0.722 . . . . 0.48999999999999999 109.422 -179.709 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.33 153.3 37.93 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.437 -0.789 . . . . 2.1000000000000001 109.762 179.37 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.0 135.14 4.8 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 110.222 -1.151 . . . . 0.44 110.222 179.237 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.449 ' HG2' HH11 ' B' ' 335' ' ' ARG . 19.4 ttt-85 -77.24 -50.73 12.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.392 -1.063 . . . . 2.7200000000000002 109.169 179.536 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.1 -38.01 72.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.873 . . . . 2.21 109.086 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.611 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.47 -43.33 79.47 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.299 -0.875 . . . . 2.79 109.612 179.829 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.76 -57.23 12.36 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.466 -0.771 . . . . 0.45000000000000001 109.965 -179.484 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.68 -39.57 51.4 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.4 -0.812 . . . . 1.6799999999999999 109.889 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.53 -54.02 38.79 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.204 -0.935 . . . . 0.42999999999999999 110.491 -179.074 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -62.15 -44.99 95.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.957 -1.089 . . . . 0.28000000000000003 108.997 -179.628 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.84 -43.43 59.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.286 -0.884 . . . . 2.52 109.412 179.684 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -60.57 -52.86 63.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 1.75 109.815 -179.789 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.57 -36.5 78.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.101 -0.999 . . . . 0.31 108.756 179.807 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.19 -56.23 24.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.454 -0.779 . . . . 1.21 109.308 179.596 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.86 -31.9 73.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.361 -0.837 . . . . 1.6899999999999999 109.655 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.518 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.24 -57.29 13.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.27000000000000002 110.198 -179.388 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.84 -44.29 97.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.092 -1.005 . . . . 0.29999999999999999 109.413 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.97 -35.97 71.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -0.927 . . . . 1.9299999999999999 108.924 179.721 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.592 HD21 ' NE2' ' A' ' 354' ' ' GLN . 4.6 tp -64.51 -45.04 88.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.392 -0.817 . . . . 0.40000000000000002 108.824 179.619 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -62.89 -46.61 87.02 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.733 -0.839 . . . . 1.5900000000000001 108.733 179.195 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -52.52 -40.84 62.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.411 -0.588 . . . . 1.4299999999999999 109.411 -179.871 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.35 83.2 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.65000000000000002 109.148 179.646 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.531 ' NE2' HD21 ' A' ' 350' ' ' LEU . 6.6 tt0 -82.94 -6.09 59.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.34 -0.85 . . . . 1.1899999999999999 109.542 179.966 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -87.36 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.929 . . . . 1.22 109.751 -179.561 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.14 76.69 0.45 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.862 -1.295 . . . . 1.53 109.862 -179.58 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.73 131.66 34.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.137 -1.213 . . . . 4.21 109.196 179.665 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.32 109.53 1.02 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 5.6799999999999997 109.553 -179.784 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.88 166.09 12.89 Favored 'Trans proline' 0 C--O 1.214 -0.689 0 C-N-CA 120.651 0.901 . . . . 5.5700000000000003 110.058 -179.647 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.433 0 CA-C-O 118.01 -1.439 . . . . 7.2000000000000002 109.568 179.939 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' C' ' 321' ' ' LYS . 18.6 pttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.53 -0.545 . . . . 8.9600000000000009 109.53 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 53.73 -84.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.358 -0.839 . . . . 8.1500000000000004 109.738 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.541 ' N ' ' O ' ' C' ' 319' ' ' LYS . 81.5 tttt 57.6 64.51 4.05 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.387 -0.82 . . . . 7.1500000000000004 110.162 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.14 155.07 67.07 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 121.487 1.458 . . . . 4.3499999999999996 109.789 179.687 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.68 101.69 9.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 4.6299999999999999 109.204 179.6 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.83 162.25 22.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 2.8500000000000001 109.736 -179.804 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.31 -173.79 10.18 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.014 -1.235 . . . . 1.1200000000000001 110.014 -179.766 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.79 141.46 56.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.356 -1.085 . . . . 2.1099999999999999 109.71 -179.99 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.0 m-85 -98.8 153.48 18.73 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.252 -0.905 . . . . 0.64000000000000001 110.312 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.92 135.51 34.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.276 -1.009 . . . . 0.48999999999999999 108.276 178.488 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.0 158.97 15.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.188 -0.945 . . . . 0.46999999999999997 109.649 -179.396 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.9 tp -148.4 132.99 17.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.344 -0.848 . . . . 0.41999999999999998 109.936 -179.261 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.86 130.62 34.5 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.878 -0.786 . . . . 1.8100000000000001 108.878 179.274 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.03 113.08 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.572 -0.705 . . . . 0.41999999999999998 109.395 -179.672 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.44 153.37 37.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.482 -0.761 . . . . 2.3500000000000001 109.802 179.387 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.87 135.15 4.74 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.353 -1.099 . . . . 0.40999999999999998 110.353 179.349 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' C' ' 335' ' ' ARG . 19.5 ttt-85 -77.27 -50.7 12.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -1.046 . . . . 2.5899999999999999 109.168 179.606 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.1 72.81 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.372 -0.83 . . . . 2.54 109.056 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.605 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.49 -43.23 79.48 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.399 -0.813 . . . . 3.3900000000000001 109.658 179.833 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -54.8 -57.19 12.56 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.5 -0.75 . . . . 0.46999999999999997 109.967 -179.575 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.73 -39.51 52.09 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.3 -0.875 . . . . 1.6599999999999999 109.905 -179.62 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.56 -54.01 38.84 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.216 -0.928 . . . . 0.60999999999999999 110.516 -179.105 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -62.16 -44.99 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.033 -1.042 . . . . 0.33000000000000002 109.0 -179.609 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -50.89 -43.36 59.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.275 -0.891 . . . . 3.2799999999999998 109.365 179.691 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -60.63 -52.86 63.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.88 . . . . 1.78 109.813 -179.796 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.6 mt -60.57 -36.47 78.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.171 -0.955 . . . . 0.38 108.747 179.786 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.24 -56.17 25.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.536 -0.727 . . . . 1.2 109.341 179.593 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.89 -31.89 73.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 2.1200000000000001 109.666 -179.957 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.21 -57.3 13.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.26000000000000001 110.187 -179.459 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.78 -44.37 96.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 0.40000000000000002 109.395 -179.746 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.96 -35.98 71.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.221 -0.924 . . . . 2.0899999999999999 108.971 179.751 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.527 HD21 ' NE2' ' D' ' 354' ' ' GLN . 4.6 tp -64.45 -45.0 89.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.34 -0.85 . . . . 0.75 108.816 179.59 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -63.0 -46.68 86.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.741 -0.837 . . . . 2.1899999999999999 108.741 179.22 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -52.31 -40.91 62.47 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.334 0.587 . . . . 1.3400000000000001 109.478 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.235 -0.916 . . . . 0.71999999999999997 109.186 179.635 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.546 ' NE2' HD21 ' D' ' 350' ' ' LEU . 6.6 tt0 -82.99 -5.96 59.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.415 -0.803 . . . . 1.8 109.554 179.962 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.09 -87.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.188 -0.945 . . . . 1.3899999999999999 109.827 -179.654 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.25 76.66 0.47 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.881 -1.288 . . . . 1.6599999999999999 109.881 -179.641 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -85.75 131.74 34.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.244 -1.151 . . . . 4.4500000000000002 109.226 179.672 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -46.31 109.56 1.03 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.327 -0.858 . . . . 6.1900000000000004 109.532 -179.724 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.92 166.05 13.04 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.73 0.953 . . . . 5.5800000000000001 109.973 -179.626 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.509 0 CA-C-O 117.946 -1.474 . . . . 6.9000000000000004 109.548 179.887 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' D' ' 321' ' ' LYS . 18.5 pttm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.472 -0.566 . . . . 7.3600000000000003 109.472 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt 53.83 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.36 -0.837 . . . . 7.1500000000000004 109.878 179.9 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' D' ' 319' ' ' LYS . 81.5 tttt 57.42 64.62 4.09 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.323 -0.861 . . . . 6.5 110.164 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.28 154.97 68.16 Favored 'Trans proline' 0 C--N 1.319 -0.994 0 C-N-CA 121.444 1.429 . . . . 4.5 109.749 179.715 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.56 101.72 9.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.169 -0.957 . . . . 4.3200000000000003 109.205 179.615 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.8 162.21 22.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.279 -0.888 . . . . 2.46 109.753 -179.877 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.36 -173.84 10.43 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.077 -1.209 . . . . 0.96999999999999997 110.077 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.71 141.51 56.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.392 -1.063 . . . . 1.6699999999999999 109.706 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.8 m-85 -98.78 153.49 18.71 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.296 -0.878 . . . . 0.60999999999999999 110.376 -179.884 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -139.0 135.47 34.32 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.242 -1.022 . . . . 0.56000000000000005 108.242 178.472 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.4 p -96.99 158.76 15.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.169 -0.957 . . . . 0.42999999999999999 109.707 -179.38 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -148.2 133.02 17.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.34999999999999998 109.934 -179.237 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -85.87 130.46 34.54 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.896 -0.779 . . . . 1.3700000000000001 108.896 179.325 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.89 113.06 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.486 -0.758 . . . . 0.47999999999999998 109.397 -179.671 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -75.52 153.42 37.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.473 -0.767 . . . . 2.0800000000000001 109.786 179.352 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.93 135.15 4.77 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.216 -1.153 . . . . 0.40000000000000002 110.216 179.316 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' D' ' 335' ' ' ARG . 19.4 ttt-85 -77.2 -50.81 12.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.399 -1.059 . . . . 2.6400000000000001 109.106 179.611 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.07 -38.09 72.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.031 179.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.597 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.43 -43.33 79.3 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.427 -0.796 . . . . 2.7400000000000002 109.634 179.785 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -54.72 -57.36 11.83 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.591 -0.693 . . . . 0.42999999999999999 109.982 -179.528 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -50.64 -39.53 50.77 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.288 -0.883 . . . . 1.6899999999999999 109.878 -179.587 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.52 -53.97 39.59 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.263 -0.898 . . . . 0.42999999999999999 110.543 -179.126 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -62.1 -45.09 95.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.978 -1.076 . . . . 0.27000000000000002 109.052 -179.699 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -50.78 -43.43 58.53 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.322 -0.861 . . . . 2.4500000000000002 109.361 179.698 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -60.63 -52.85 63.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.75 109.774 -179.72 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.52 -36.57 78.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.31 108.749 179.748 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.16 -56.26 24.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.462 -0.773 . . . . 1.22 109.325 179.595 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.85 -31.84 73.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.406 -0.809 . . . . 1.73 109.67 -179.924 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.28 -57.25 13.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 0.28000000000000003 110.175 -179.387 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.87 -44.29 97.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.975 . . . . 0.31 109.376 -179.741 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -57.9 -36.04 71.88 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.9099999999999999 108.965 179.667 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.546 HD21 ' NE2' ' C' ' 354' ' ' GLN . 4.6 tp -64.49 -44.99 89.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.42999999999999999 108.766 179.647 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -62.97 -46.65 86.7 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.867 0.842 . . . . 1.5700000000000001 108.753 179.218 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.36 -40.92 62.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.312 0.577 . . . . 1.4399999999999999 109.471 179.994 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.32 83.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 0.64000000000000001 109.215 179.677 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD21 ' C' ' 350' ' ' LEU . 6.6 tt0 -82.91 -6.13 59.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.421 -0.799 . . . . 1.21 109.553 179.948 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.04 -87.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.948 . . . . 1.22 109.869 -179.589 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.18 76.66 0.46 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.862 -1.295 . . . . 1.5 109.862 -179.669 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -85.83 131.76 34.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.294 -1.121 . . . . 4.1799999999999997 109.154 179.709 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -46.38 109.56 1.03 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.284 -0.885 . . . . 5.6699999999999999 109.546 -179.756 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.93 166.08 13.01 Favored 'Trans proline' 0 C--O 1.215 -0.636 0 C-N-CA 120.617 0.878 . . . . 5.6500000000000004 110.04 -179.594 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 CA-C-O 117.928 -1.484 . . . . 7.2699999999999996 109.525 179.916 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 320' ' ' LYS . 65.6 mttm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.447 -0.575 . . . . 7.3300000000000001 109.447 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 319' ' ' LYS . 60.8 mttm 53.34 100.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.35 -0.844 . . . . 7.21 109.625 -179.893 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.65 65.56 6.3 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.372 -0.83 . . . . 6.4699999999999998 109.723 -179.982 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.22 132.3 33.46 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.423 1.415 . . . . 4.5300000000000002 110.07 -179.959 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.0 mm? -80.86 11.29 4.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 4.3499999999999996 108.855 179.44 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.404 ' OD1' ' NH2' ' C' ' 333' ' ' ARG . 69.6 m-20 -78.03 171.38 15.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.384 -0.822 . . . . 2.48 109.797 -179.658 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 165.11 48.12 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.676 -1.37 . . . . 0.97999999999999998 109.676 -179.971 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -59.29 139.99 56.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -1.137 . . . . 1.7 109.833 -179.851 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.98 156.66 16.24 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.32 -0.863 . . . . 0.60999999999999999 109.59 179.723 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.13 136.62 35.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.857 . . . . 0.57999999999999996 108.77 178.903 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.4 157.58 15.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.285 -0.885 . . . . 0.41999999999999998 109.527 -179.576 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.9 131.08 17.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.399 -0.813 . . . . 0.35999999999999999 110.022 -178.58 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.4 132.62 34.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 1.3700000000000001 109.083 179.575 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.4 118.98 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-O 121.549 0.69 . . . . 0.46999999999999997 109.352 -179.598 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -75.86 148.67 38.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.566 -0.709 . . . . 2.1000000000000001 109.704 179.732 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.42 6.1 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.542 -1.023 . . . . 0.41999999999999998 110.542 179.075 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -82.97 -46.5 12.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.427 -1.043 . . . . 2.6800000000000002 109.188 179.51 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.15 -40.49 77.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 2.2200000000000002 108.864 179.694 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.04 -41.14 78.1 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.439 -0.788 . . . . 2.77 109.457 179.638 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.58 -59.22 5.15 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.546 -0.721 . . . . 0.42999999999999999 110.039 -179.596 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.82 -35.3 43.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 109.622 -179.628 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.04 -57.36 8.85 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.245 -0.909 . . . . 0.44 110.322 -179.513 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.94 91.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.976 . . . . 0.28999999999999998 108.883 -179.791 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.526 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.6 OUTLIER -50.06 -42.24 49.4 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.376 -0.827 . . . . 2.4399999999999999 109.105 179.42 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.82 -45.29 93.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.74 109.396 179.488 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.06 -45.84 91.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.332 -0.855 . . . . 0.29999999999999999 109.286 179.921 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.77 -49.34 76.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.22 109.259 179.926 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.1 -38.15 87.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 1.72 109.279 179.873 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.14 -52.3 66.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.387 -0.821 . . . . 0.27000000000000002 109.605 -179.902 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.88 -46.59 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.28999999999999998 109.293 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -59.01 -35.44 73.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.198 179.811 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.497 HD11 HE22 ' B' ' 354' ' ' GLN . 38.2 tp -63.68 -47.2 82.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -0.817 . . . . 0.40999999999999998 109.165 179.853 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.389 -0.82 . . . . 1.5600000000000001 108.863 179.699 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -56.91 -31.76 65.25 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.705 -0.622 . . . . 1.4299999999999999 109.587 179.749 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.14 83.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.254 -0.904 . . . . 0.66000000000000003 109.754 -179.771 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.518 HE22 HD11 ' B' ' 350' ' ' LEU . 71.3 mt-30 -81.82 -44.51 16.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -0.928 . . . . 1.1799999999999999 109.395 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.15 -3.83 18.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.23 109.201 179.736 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.33 18.36 4.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.377 -1.489 . . . . 1.54 109.377 179.879 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 355' ' ' ALA . 64.2 tttp -85.17 -80.68 0.21 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.258 -1.142 . . . . 4.1799999999999997 109.604 -179.782 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.95 126.36 24.93 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 5.71 109.174 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.59 136.05 68.46 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 C-N-CA 120.649 0.899 . . . . 5.6100000000000003 109.974 179.885 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.011 -1.438 . . . . 7.2400000000000002 109.53 179.782 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.459 -0.571 . . . . 7.3399999999999999 109.459 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 319' ' ' LYS . 60.8 mttm 53.42 100.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.336 -0.853 . . . . 7.1699999999999999 109.574 -179.908 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.59 65.58 6.29 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.364 -0.835 . . . . 6.4400000000000004 109.724 -179.98 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.24 132.29 33.4 Favored 'Trans proline' 0 C--N 1.319 -0.995 0 C-N-CA 121.425 1.417 . . . . 4.54 110.076 -179.937 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.469 ' N ' HD22 ' B' ' 323' ' ' LEU . 4.0 mm? -80.83 11.27 4.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.248 -0.907 . . . . 4.3200000000000003 108.871 179.482 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -78.07 171.34 15.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.805 . . . . 2.4700000000000002 109.808 -179.634 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 165.17 47.77 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.646 -1.382 . . . . 0.94999999999999996 109.646 -179.977 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -59.33 139.98 56.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.353 -1.087 . . . . 1.6100000000000001 109.849 -179.884 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -95.99 156.66 16.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.327 -0.858 . . . . 0.56999999999999995 109.64 179.677 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.09 136.67 35.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.853 . . . . 0.53000000000000003 108.746 178.912 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.39 157.57 15.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -0.858 . . . . 0.38 109.531 -179.603 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -146.93 130.98 17.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.39 -0.819 . . . . 0.35999999999999999 110.069 -178.595 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.38 132.65 34.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 109.061 179.623 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.37 119.01 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 CA-C-O 121.527 0.68 . . . . 0.48999999999999999 109.337 -179.597 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' D' ' 324' ' ' ASP . 63.5 ttt180 -75.87 148.64 38.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.527 -0.733 . . . . 2.1000000000000001 109.676 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.42 142.39 6.16 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 110.527 -1.029 . . . . 0.44 110.527 179.027 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.0 -46.47 12.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.503 -0.998 . . . . 2.7200000000000002 109.235 179.468 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.2 -40.44 77.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 2.21 108.851 179.711 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.625 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.08 -41.08 78.19 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.411 -0.806 . . . . 2.79 109.441 179.633 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.58 -59.23 5.13 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.654 -0.654 . . . . 0.45000000000000001 110.065 -179.636 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.85 -35.31 44.26 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.567 -179.581 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.05 -57.31 8.98 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.268 -0.895 . . . . 0.42999999999999999 110.289 -179.457 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -61.89 -45.91 91.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.28000000000000003 108.879 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.51 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.6 OUTLIER -50.09 -42.25 49.84 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.378 -0.826 . . . . 2.52 109.115 179.418 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.81 -45.29 93.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 1.75 109.409 179.474 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.07 -45.76 92.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.31 109.339 179.904 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -57.74 -49.43 76.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.179 -0.951 . . . . 1.21 109.242 179.868 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.09 -38.06 87.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.264 -0.897 . . . . 1.6899999999999999 109.343 179.902 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.13 -52.35 66.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.322 -0.861 . . . . 0.27000000000000002 109.622 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.82 -46.71 88.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.29999999999999999 109.276 179.88 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.92 -35.47 73.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.202 -0.936 . . . . 1.9299999999999999 109.196 179.791 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.518 HD11 HE22 ' A' ' 354' ' ' GLN . 38.1 tp -63.64 -47.18 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.423 -0.798 . . . . 0.40000000000000002 109.19 179.832 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.26 -48.96 75.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.358 -0.839 . . . . 1.5900000000000001 108.867 179.701 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -56.92 -31.66 65.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.632 -0.668 . . . . 1.4299999999999999 109.652 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -37.08 82.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.89 . . . . 0.65000000000000002 109.684 -179.753 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.497 HE22 HD11 ' A' ' 350' ' ' LEU . 71.3 mt-30 -81.81 -44.51 16.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.282 -0.886 . . . . 1.1899999999999999 109.416 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.15 -3.83 18.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.892 . . . . 1.22 109.197 179.763 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.3 18.29 4.45 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.372 -1.491 . . . . 1.53 109.372 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' B' ' 355' ' ' ALA . 64.2 tttp -85.12 -80.75 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -1.153 . . . . 4.21 109.592 -179.776 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -50.88 126.33 24.51 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.309 -0.869 . . . . 5.6799999999999997 109.189 -179.761 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.59 136.05 68.51 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.648 0.899 . . . . 5.5700000000000003 109.992 179.892 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.022 -1.432 . . . . 7.2000000000000002 109.529 179.821 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' C' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.443 -0.577 . . . . 8.9600000000000009 109.443 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' C' ' 319' ' ' LYS . 60.9 mttm 53.35 100.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 8.1500000000000004 109.563 -179.894 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.58 65.55 6.34 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.373 -0.829 . . . . 7.1500000000000004 109.722 -179.992 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.12 132.27 33.57 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.44 1.427 . . . . 4.3499999999999996 110.091 -179.997 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.483 HD22 ' N ' ' C' ' 323' ' ' LEU . 4.0 mm? -80.83 11.28 4.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.256 -0.903 . . . . 4.6299999999999999 108.899 179.389 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -78.06 171.42 15.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.367 -0.833 . . . . 2.8500000000000001 109.766 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 165.12 48.2 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.652 -1.379 . . . . 1.1200000000000001 109.652 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.26 139.98 56.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.284 -1.127 . . . . 2.1099999999999999 109.865 -179.86 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.01 156.75 16.2 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 0.64000000000000001 109.598 179.722 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -139.15 136.56 35.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.282 -0.886 . . . . 0.48999999999999999 108.779 178.951 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 35.1 p -94.34 157.61 15.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.288 -0.883 . . . . 0.46999999999999997 109.582 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.94 131.04 17.3 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.416 -0.802 . . . . 0.41999999999999998 110.049 -178.568 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.39 132.66 34.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 1.8100000000000001 109.05 179.601 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.4 119.0 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.488 0.661 . . . . 0.41999999999999998 109.338 -179.615 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.404 ' NH2' ' OD1' ' A' ' 324' ' ' ASP . 63.6 ttt180 -75.96 148.67 37.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.591 -0.693 . . . . 2.3500000000000001 109.639 179.722 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.4 6.09 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.588 -1.005 . . . . 0.40999999999999998 110.588 179.131 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -82.97 -46.53 12.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.48 -1.012 . . . . 2.5899999999999999 109.177 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -57.16 -40.49 77.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.335 -0.853 . . . . 2.54 108.832 179.743 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.637 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -41.17 77.84 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.439 -0.788 . . . . 3.3900000000000001 109.508 179.585 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.53 -59.25 5.09 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.572 -0.705 . . . . 0.46999999999999997 110.102 -179.647 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.81 -35.3 43.76 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.307 -0.871 . . . . 1.6599999999999999 109.622 -179.67 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -65.03 -57.38 8.83 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.225 -0.922 . . . . 0.60999999999999999 110.314 -179.529 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.85 -45.93 91.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.33000000000000002 108.911 -179.794 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.521 ' HB3' HH11 ' C' ' 342' ' ' ARG . 0.6 OUTLIER -50.1 -42.24 49.96 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.367 -0.833 . . . . 3.2799999999999998 109.073 179.41 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.84 -45.27 93.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 1.78 109.386 179.506 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.05 -45.77 92.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.38 109.343 179.893 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.73 -49.49 76.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.182 -0.949 . . . . 1.2 109.248 179.863 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.0 -38.16 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.274 -0.891 . . . . 2.1200000000000001 109.313 179.869 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.13 -52.32 66.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -0.839 . . . . 0.26000000000000001 109.635 -179.951 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.88 -46.67 88.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.121 -0.987 . . . . 0.40000000000000002 109.287 179.86 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.94 -35.45 73.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.217 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.593 HD11 HE22 ' D' ' 354' ' ' GLN . 37.9 tp -63.64 -47.22 82.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.343 -0.848 . . . . 0.75 109.17 179.825 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.31 -48.89 76.16 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.37 -0.831 . . . . 2.1899999999999999 108.802 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -56.98 -31.69 65.3 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.683 -0.636 . . . . 1.3400000000000001 109.575 179.782 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -37.1 83.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 0.71999999999999997 109.759 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.568 HE22 HD11 ' D' ' 350' ' ' LEU . 71.3 mt-30 -81.91 -44.47 16.75 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 1.8 109.335 -179.916 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.16 -3.82 18.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.896 . . . . 1.3899999999999999 109.228 179.734 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.31 18.34 4.42 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.408 -1.477 . . . . 1.6599999999999999 109.408 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' C' ' 355' ' ' ALA . 64.3 tttp -85.08 -80.8 0.2 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -1.129 . . . . 4.4500000000000002 109.624 -179.804 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -50.87 126.27 24.3 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.353 -0.842 . . . . 6.1900000000000004 109.264 -179.824 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.58 136.1 68.87 Favored 'Trans proline' 0 C--O 1.215 -0.645 0 C-N-CA 120.553 0.835 . . . . 5.5800000000000001 109.978 179.939 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.008 -1.44 . . . . 6.9000000000000004 109.563 179.778 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' D' ' 320' ' ' LYS . 65.7 mttm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.412 -0.588 . . . . 7.3600000000000003 109.412 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' D' ' 319' ' ' LYS . 60.8 mttm 53.42 100.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 7.1500000000000004 109.62 -179.915 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 10.9 mptt 51.66 65.53 6.32 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 6.5 109.699 -179.963 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.1 132.24 33.53 Favored 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.443 1.429 . . . . 4.5 110.119 179.976 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.47 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.0 mm? -80.83 11.28 4.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 4.3200000000000003 108.864 179.431 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' B' ' 333' ' ' ARG . 69.7 m-20 -78.02 171.39 15.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.36 -0.837 . . . . 2.46 109.767 -179.642 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 165.09 48.15 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.635 -1.386 . . . . 0.96999999999999997 109.635 179.998 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.22 139.98 56.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.325 -1.103 . . . . 1.6699999999999999 109.89 -179.931 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.98 156.75 16.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.60999999999999999 109.562 179.731 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -139.16 136.64 35.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.315 -0.866 . . . . 0.56000000000000005 108.7 178.933 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -94.41 157.49 15.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 0.42999999999999999 109.539 -179.623 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -146.85 131.04 17.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.422 -0.799 . . . . 0.34999999999999998 110.048 -178.618 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -85.35 132.68 34.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 1.3700000000000001 109.081 179.595 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.45 119.01 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-O 121.572 0.701 . . . . 0.47999999999999998 109.288 -179.556 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -75.88 148.67 38.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.523 -0.736 . . . . 2.0800000000000001 109.671 179.674 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.32 142.44 6.11 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.527 -1.029 . . . . 0.40000000000000002 110.527 179.072 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -83.03 -46.49 12.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.516 -0.991 . . . . 2.6400000000000001 109.166 179.499 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -57.18 -40.44 77.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.907 179.703 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.636 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.06 -41.17 78.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.423 179.613 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -55.49 -59.3 5.02 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.595 -0.69 . . . . 0.42999999999999999 110.033 -179.63 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.84 -35.32 44.15 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.32 -0.863 . . . . 1.6899999999999999 109.585 -179.566 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.9 ttp -65.04 -57.33 8.95 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.169 -0.957 . . . . 0.42999999999999999 110.279 -179.479 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -61.88 -45.91 91.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.089 -1.007 . . . . 0.27000000000000002 108.886 -179.796 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.527 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.6 OUTLIER -50.11 -42.25 50.03 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.442 -0.786 . . . . 2.4500000000000002 109.104 179.434 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -62.8 -45.24 93.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.2 -0.938 . . . . 1.75 109.433 179.461 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.16 -45.75 92.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.31 109.278 179.955 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.69 -49.46 76.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.173 -0.954 . . . . 1.22 109.285 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -62.03 -38.12 87.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 1.73 109.324 179.871 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.58 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.19 -52.3 66.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.854 . . . . 0.28000000000000003 109.63 -179.94 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.405 HD13 ' HE ' ' B' ' 337' ' ' ARG . 55.8 mt -61.84 -46.68 88.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.932 . . . . 0.31 109.306 179.825 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.95 -35.45 73.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 1.9099999999999999 109.186 179.789 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.568 HD11 HE22 ' C' ' 354' ' ' GLN . 38.1 tp -63.66 -47.18 82.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.42999999999999999 109.168 179.875 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.26 -48.9 76.22 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.364 -0.835 . . . . 1.5700000000000001 108.894 179.679 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -57.02 -31.59 65.28 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.703 -0.623 . . . . 1.4399999999999999 109.608 179.742 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -37.0 82.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.879 . . . . 0.64000000000000001 109.763 -179.788 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.593 HE22 HD11 ' C' ' 350' ' ' LEU . 71.3 mt-30 -81.88 -44.5 16.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.21 109.385 179.998 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.2 -3.76 18.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.258 -0.901 . . . . 1.22 109.219 179.742 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.37 18.37 4.46 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.392 -1.483 . . . . 1.5 109.392 179.834 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' D' ' 355' ' ' ALA . 64.2 tttp -85.13 -80.75 0.21 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.263 -1.139 . . . . 4.1799999999999997 109.586 -179.784 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -50.89 126.27 24.43 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.247 -0.908 . . . . 5.6699999999999999 109.239 -179.792 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -59.57 136.07 68.72 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 C-N-CA 120.637 0.891 . . . . 5.6500000000000004 109.952 179.954 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 CA-C-O 118.022 -1.432 . . . . 7.2699999999999996 109.535 179.793 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.313 -0.625 . . . . 7.3300000000000001 109.313 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 322' ' ' PRO . 87.3 mttt 54.44 -136.25 1.34 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 7.21 109.763 179.936 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 320' ' ' LYS . 17.0 mmtp 19.59 -80.96 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.488 0 CA-C-O 118.05 -0.976 . . . . 6.4699999999999998 112.611 -179.606 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.485 ' N ' ' O ' ' A' ' 320' ' ' LYS . 1.0 OUTLIER -54.75 -45.75 38.56 Favored 'Trans proline' 0 N--CA 1.483 0.877 0 CA-C-N 120.745 1.302 . . . . 4.5300000000000002 110.623 179.685 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 3.3 mm? -77.82 33.6 0.18 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.363 -0.836 . . . . 4.3499999999999996 110.245 -179.02 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -78.08 107.53 10.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.132 -0.98 . . . . 2.48 109.248 179.663 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.517 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.8 156.03 52.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.912 -1.275 . . . . 0.97999999999999998 109.912 179.952 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.6 125.0 22.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -1.113 . . . . 1.7 109.371 179.592 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.517 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 72.4 m-85 -97.34 153.11 18.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.213 -0.93 . . . . 0.60999999999999999 109.95 -179.884 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.35 137.78 34.36 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.685 -0.858 . . . . 0.57999999999999996 108.685 179.08 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -94.79 163.41 13.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.307 -0.87 . . . . 0.41999999999999998 109.05 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.92 132.79 17.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.173 -0.954 . . . . 0.35999999999999999 110.147 -179.079 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.58 127.23 33.95 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.699 -0.852 . . . . 1.3700000000000001 108.699 179.299 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.2 mt -124.26 111.17 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.546 -0.721 . . . . 0.46999999999999997 109.776 -179.296 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.53 152.61 37.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.769 . . . . 2.1000000000000001 109.531 179.531 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.97 131.67 4.14 Favored Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.065 -1.214 . . . . 0.41999999999999998 110.065 179.617 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.81 -51.95 8.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -1.136 . . . . 2.6800000000000002 109.566 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.28 -38.89 77.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.972 -1.08 . . . . 2.2200000000000002 109.756 -179.596 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.115 -0.99 . . . . 2.77 109.699 -179.958 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.71 -53.44 52.08 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 109.908 -179.809 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -51.47 -39.51 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 1.6599999999999999 110.13 -179.499 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.14 -51.32 66.96 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.206 -0.934 . . . . 0.44 110.483 -179.174 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.68 -42.62 97.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.06 -1.025 . . . . 0.28999999999999998 109.069 -179.636 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.74 -44.42 63.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.249 -0.907 . . . . 2.4399999999999999 109.447 179.754 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.82 -46.29 91.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -0.904 . . . . 1.74 109.967 -179.647 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.97 -41.05 95.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.29999999999999999 109.515 -179.717 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.99 -50.33 74.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 1.22 109.576 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.505 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.92 81.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.297 -0.877 . . . . 1.72 109.769 -179.756 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.58 -53.54 57.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.152 -0.967 . . . . 0.27000000000000002 109.912 -179.582 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.6 -42.64 99.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.28999999999999998 109.482 -179.868 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.3 -35.42 73.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.157 -0.965 . . . . 1.9099999999999999 109.225 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' B' ' 350' ' ' LEU . 2.1 tt -65.9 -52.3 51.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 0.40999999999999998 109.193 179.907 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.05 -36.46 79.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.328 -0.858 . . . . 1.5600000000000001 109.056 179.784 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.71 -36.2 66.93 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.656 -0.653 . . . . 1.4299999999999999 109.272 179.808 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.95 80.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.66000000000000003 109.597 -179.981 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.51 -4.13 55.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.216 -0.928 . . . . 1.1799999999999999 109.668 -179.87 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.1 -87.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.205 -0.934 . . . . 1.23 109.567 -179.944 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.53 72.48 1.0 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.872 -1.291 . . . . 1.54 109.872 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.09 114.98 23.38 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.118 -1.225 . . . . 4.1799999999999997 109.103 179.945 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -46.45 109.69 1.07 Allowed Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.293 -0.879 . . . . 5.71 109.496 -179.781 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.92 136.41 61.29 Favored 'Trans proline' 0 C--O 1.215 -0.649 0 N-CA-C 109.807 -0.882 . . . . 5.6100000000000003 109.807 -179.818 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.96 -1.467 . . . . 7.2400000000000002 109.585 179.939 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' B' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.287 -0.634 . . . . 7.3399999999999999 109.287 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 322' ' ' PRO . 87.3 mttt 54.52 -136.29 1.33 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 7.1699999999999999 109.824 179.84 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' B' ' 320' ' ' LYS . 17.0 mmtp 19.61 -81.02 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.484 0 CA-C-O 118.149 -0.929 . . . . 6.4400000000000004 112.549 -179.688 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' B' ' 320' ' ' LYS . 1.0 OUTLIER -54.71 -45.69 39.01 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 120.678 1.278 . . . . 4.54 110.699 179.69 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 3.2 mm? -77.85 33.51 0.18 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.246 -0.909 . . . . 4.3200000000000003 110.336 -179.101 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.93 108.04 10.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.039 -1.038 . . . . 2.4700000000000002 109.268 179.637 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.518 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.63 156.0 51.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.852 -1.299 . . . . 0.94999999999999996 109.852 -179.887 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.48 124.96 22.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.24 -1.153 . . . . 1.6100000000000001 109.411 179.828 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 72.7 m-85 -97.32 153.08 18.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.234 -0.916 . . . . 0.56999999999999995 109.973 -179.812 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.39 137.66 34.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.342 -0.849 . . . . 0.53000000000000003 108.74 179.121 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.9 p -94.68 163.37 13.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 0.38 109.043 -179.857 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 132.74 16.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.013 -1.054 . . . . 0.35999999999999999 110.198 -179.096 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.6 127.21 33.95 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.653 -0.869 . . . . 1.3600000000000001 108.653 179.412 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.29 111.25 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 CA-C-O 121.553 0.692 . . . . 0.48999999999999999 109.774 -179.337 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.42 152.62 37.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.448 -0.783 . . . . 2.1000000000000001 109.566 179.456 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.91 131.82 4.16 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.001 -1.24 . . . . 0.44 110.001 179.572 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.95 -51.96 8.44 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.3 -1.118 . . . . 2.7200000000000002 109.585 179.958 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.26 -38.93 77.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.142 -0.974 . . . . 2.21 109.714 -179.609 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' D' ' 352' ' ' ASP . 30.7 ttm180 -62.96 -42.13 99.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.265 -0.897 . . . . 2.79 109.703 -179.918 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -53.72 -53.41 52.52 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.45000000000000001 109.907 -179.772 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.49 -39.5 57.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 1.6799999999999999 110.114 -179.507 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.0 ttp -63.11 -51.37 66.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.233 -0.917 . . . . 0.42999999999999999 110.539 -179.221 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.58 -42.62 97.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.036 -1.04 . . . . 0.28000000000000003 109.143 -179.696 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.41 63.31 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.282 -0.886 . . . . 2.52 109.478 179.731 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.73 -46.39 90.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 1.75 109.99 -179.701 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.94 -41.13 95.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.31 109.47 -179.65 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.89 -50.42 74.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 1.21 109.612 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.63 -35.94 81.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 1.6899999999999999 109.757 -179.759 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -53.6 56.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.27000000000000002 109.952 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.62 -42.64 99.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 109.431 -179.838 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.26 -35.43 73.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.182 -0.949 . . . . 1.9299999999999999 109.267 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.549 HD22 HD22 ' A' ' 350' ' ' LEU . 2.1 tt -65.87 -52.37 50.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.40000000000000002 109.126 179.92 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.06 -36.52 79.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.363 -0.836 . . . . 1.5900000000000001 109.037 179.806 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.76 -36.11 66.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.48 -0.763 . . . . 1.4299999999999999 109.275 179.834 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.01 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.65000000000000002 109.628 179.931 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.5 -4.14 55.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.293 -0.879 . . . . 1.1899999999999999 109.694 -179.87 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -87.69 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.917 . . . . 1.22 109.601 -179.924 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.67 72.5 1.03 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.819 -1.312 . . . . 1.53 109.819 -179.875 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.1 114.96 23.37 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.159 -1.201 . . . . 4.21 109.11 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.36 109.7 1.06 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 5.6799999999999997 109.533 -179.791 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.98 136.38 60.89 Favored 'Trans proline' 0 C--O 1.216 -0.612 0 N-CA-C 109.752 -0.903 . . . . 5.5700000000000003 109.752 -179.749 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.953 -1.47 . . . . 7.2000000000000002 109.561 179.909 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.448 ' CD ' ' N ' ' C' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.314 -0.624 . . . . 8.9600000000000009 109.314 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' C' ' 322' ' ' PRO . 87.3 mttt 54.55 -136.26 1.33 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.28 -0.887 . . . . 8.1500000000000004 109.801 179.837 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' C' ' 320' ' ' LYS . 17.0 mmtp 19.48 -80.9 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.495 0 CA-C-O 118.057 -0.973 . . . . 7.1500000000000004 112.601 -179.637 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.494 ' N ' ' O ' ' C' ' 320' ' ' LYS . 1.0 OUTLIER -54.78 -45.69 39.0 Favored 'Trans proline' 0 N--CA 1.483 0.866 0 CA-C-N 120.714 1.291 . . . . 4.3499999999999996 110.68 179.675 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.525 HD22 ' N ' ' C' ' 323' ' ' LEU . 3.3 mm? -77.92 33.71 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.902 . . . . 4.6299999999999999 110.316 -179.073 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -78.11 107.77 10.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.095 -1.003 . . . . 2.8500000000000001 109.207 179.67 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -72.21 156.13 52.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.877 -1.289 . . . . 1.1200000000000001 109.877 180.0 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.57 125.0 22.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -1.123 . . . . 2.1099999999999999 109.385 179.715 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 72.7 m-85 -97.34 153.13 18.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.218 -0.926 . . . . 0.64000000000000001 109.97 -179.834 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -140.41 137.75 34.22 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.721 -0.844 . . . . 0.48999999999999999 108.721 179.079 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.1 p -94.78 163.41 13.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.306 -0.872 . . . . 0.46999999999999997 109.034 -179.906 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.96 132.74 16.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.08 -1.013 . . . . 0.41999999999999998 110.208 -179.072 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -84.62 127.23 33.96 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.61 -0.885 . . . . 1.8100000000000001 108.61 179.408 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.25 111.16 27.51 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.533 -0.73 . . . . 0.41999999999999998 109.844 -179.349 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -75.5 152.6 37.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.533 -0.729 . . . . 2.3500000000000001 109.572 179.569 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.02 131.67 4.16 Favored Glycine 0 N--CA 1.496 2.643 0 N-CA-C 109.967 -1.253 . . . . 0.40999999999999998 109.967 179.533 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.79 -51.94 8.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 2.5899999999999999 109.55 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.35 -38.83 78.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 2.54 109.686 -179.526 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -63.05 -42.06 99.63 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.207 -0.933 . . . . 3.3900000000000001 109.693 -179.938 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -53.76 -53.42 52.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.475 -0.766 . . . . 0.46999999999999997 109.888 -179.769 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.56 57.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 1.6599999999999999 110.091 -179.519 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.15 -51.34 66.84 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.187 -0.946 . . . . 0.60999999999999999 110.488 -179.127 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.69 -42.56 97.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.131 -0.98 . . . . 0.33000000000000002 109.085 -179.628 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.39 63.3 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.278 -0.889 . . . . 3.2799999999999998 109.513 179.718 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -60.76 -46.33 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.389 -0.819 . . . . 1.78 110.036 -179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.95 -41.13 95.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.24 -0.913 . . . . 0.38 109.497 -179.721 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.88 -50.36 74.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 1.2 109.656 179.934 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.68 -35.94 81.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 2.1200000000000001 109.717 -179.762 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.45 -53.67 55.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 0.26000000000000001 109.92 -179.607 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.59 -42.62 99.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.40000000000000002 109.444 -179.765 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.31 -35.4 73.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 2.0899999999999999 109.218 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' D' ' 350' ' ' LEU . 2.1 tt -65.88 -52.33 51.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.326 -0.859 . . . . 0.75 109.153 179.899 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.13 -36.45 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 2.1899999999999999 109.064 179.764 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -55.75 -36.12 66.93 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.554 -0.716 . . . . 1.3400000000000001 109.319 179.73 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.08 80.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.71999999999999997 109.631 179.909 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -81.42 -4.28 55.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 1.8 109.621 -179.811 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -87.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 1.3899999999999999 109.58 -179.913 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.52 72.54 1.0 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.798 -1.321 . . . . 1.6599999999999999 109.798 -179.884 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.215 -1.168 . . . . 4.4500000000000002 109.058 179.896 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.43 109.56 1.04 Allowed Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.86 . . . . 6.1900000000000004 109.536 -179.893 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.86 136.34 61.15 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 N-CA-C 109.779 -0.893 . . . . 5.5800000000000001 109.779 -179.801 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.531 -1.427 . . . . 6.9000000000000004 109.531 179.892 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' D' ' 319' ' ' LYS . 12.6 mptt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.272 -0.64 . . . . 7.3600000000000003 109.272 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' D' ' 322' ' ' PRO . 87.3 mttt 54.4 -136.25 1.34 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.875 . . . . 7.1500000000000004 109.831 179.853 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.482 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 17.0 mmtp 19.61 -81.05 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.49 0 CA-C-O 118.095 -0.955 . . . . 6.5 112.53 -179.632 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' D' ' 320' ' ' LYS . 1.0 OUTLIER -54.73 -45.7 38.98 Favored 'Trans proline' 0 N--CA 1.482 0.842 0 CA-C-N 120.717 1.292 . . . . 4.5 110.69 179.745 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.2 mm? -77.82 33.56 0.18 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.229 -0.919 . . . . 4.3200000000000003 110.305 -179.098 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -78.12 107.76 10.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.128 -0.982 . . . . 2.46 109.226 179.695 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.14 155.94 51.99 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.882 -1.287 . . . . 0.96999999999999997 109.882 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.42 124.9 21.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 1.6699999999999999 109.422 179.689 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 72.7 m-85 -97.3 153.09 18.27 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.204 -0.935 . . . . 0.60999999999999999 110.008 -179.902 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -140.3 137.67 34.35 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.744 -0.836 . . . . 0.56000000000000005 108.744 179.082 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -94.7 163.45 13.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 109.093 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.0 132.78 16.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.34999999999999998 110.142 -179.059 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.69 127.24 34.0 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.614 -0.884 . . . . 1.3700000000000001 108.614 179.422 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.4 mt -124.27 111.22 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.51 -0.744 . . . . 0.47999999999999998 109.84 -179.317 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -75.36 152.53 38.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.421 -0.8 . . . . 2.0800000000000001 109.624 179.49 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 131.78 4.17 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.011 -1.236 . . . . 0.40000000000000002 110.011 179.511 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -79.87 -51.82 8.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.326 -1.103 . . . . 2.6400000000000001 109.634 179.94 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.31 -38.93 78.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.11 -0.994 . . . . 2.2200000000000002 109.77 -179.641 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -62.96 -42.09 99.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.218 -0.926 . . . . 2.7400000000000002 109.705 -179.951 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -53.71 -53.46 51.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.453 -0.779 . . . . 0.42999999999999999 109.89 -179.773 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -51.39 -39.62 57.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 110.061 -179.531 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.1 ttp -63.16 -51.26 67.13 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.208 -0.933 . . . . 0.42999999999999999 110.495 -179.08 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.7 -42.61 97.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.026 -1.046 . . . . 0.27000000000000002 109.037 -179.644 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -51.75 -44.4 63.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 109.476 179.772 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.78 -46.34 90.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.75 109.957 -179.669 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.98 -41.1 95.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 0.31 109.492 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.87 -50.32 74.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.157 -0.965 . . . . 1.22 109.689 179.888 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.72 -35.94 81.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.206 -0.934 . . . . 1.73 109.71 -179.721 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -53.5 57.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.171 -0.956 . . . . 0.28000000000000003 109.963 -179.61 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.7 -42.62 99.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.89 . . . . 0.31 109.42 -179.845 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.29 -35.33 73.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.217 -0.927 . . . . 1.9099999999999999 109.252 179.71 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.56 HD22 HD22 ' C' ' 350' ' ' LEU . 2.1 tt -65.96 -52.39 50.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -0.84 . . . . 0.42999999999999999 109.175 179.874 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.96 -36.43 79.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 1.5700000000000001 109.089 179.756 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' B' ' 337' ' ' ARG . 9.7 m-20 -55.8 -36.18 67.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.489 -0.757 . . . . 1.4399999999999999 109.239 179.823 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.22 -41.96 80.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.64000000000000001 109.601 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -81.51 -4.21 55.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.231 -0.918 . . . . 1.21 109.624 -179.889 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -87.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.205 -0.935 . . . . 1.22 109.629 179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -72.61 72.51 1.01 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.767 -1.333 . . . . 1.5 109.767 -179.852 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.04 114.93 23.31 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.174 -1.192 . . . . 4.1799999999999997 109.12 179.876 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -46.33 109.6 1.04 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.347 -0.846 . . . . 5.6699999999999999 109.492 -179.883 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.89 136.4 61.37 Favored 'Trans proline' 0 C--O 1.215 -0.646 0 N-CA-C 109.801 -0.884 . . . . 5.6500000000000004 109.801 -179.862 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.487 -1.445 . . . . 7.2699999999999996 109.487 179.91 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.252 -0.647 . . . . 7.3300000000000001 109.252 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 321' ' ' LYS . 20.1 mtmm 52.36 50.35 18.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.364 -0.835 . . . . 7.21 109.885 179.689 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 320' ' ' LYS . 48.0 mttp 56.73 152.12 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.796 -0.565 . . . . 6.4699999999999998 109.781 179.573 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.3 -81.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 121.091 1.194 . . . . 4.5300000000000002 110.584 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.82 121.34 25.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.209 -0.932 . . . . 4.3499999999999996 110.03 -178.953 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -81.97 -133.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 2.48 109.494 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.55 171.39 40.89 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.011 -1.236 . . . . 0.97999999999999998 110.011 -179.956 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -60.43 137.87 58.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.385 -1.068 . . . . 1.7 109.742 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -95.83 158.4 15.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.272 -0.893 . . . . 0.60999999999999999 109.89 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' O ' ' NE2' ' C' ' 331' ' ' GLN . 98.4 m-85 -140.08 -169.68 2.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.479 -0.763 . . . . 0.57999999999999996 109.489 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.48 151.03 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.241 -0.912 . . . . 0.41999999999999998 108.676 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.2 tp -142.69 134.16 26.39 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.314 -0.866 . . . . 0.35999999999999999 110.073 -178.327 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' C' ' 328' ' ' PHE . 35.2 tp60 -84.65 129.03 34.89 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.513 -0.921 . . . . 1.3700000000000001 108.513 178.917 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.38 113.71 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.442 -0.786 . . . . 0.46999999999999997 109.115 -179.68 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.81 147.55 41.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.537 -0.727 . . . . 2.1000000000000001 109.751 179.922 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.02 136.83 5.4 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.108 -1.197 . . . . 0.41999999999999998 110.108 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.27 -50.51 8.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -1.108 . . . . 2.6800000000000002 109.341 179.694 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.02 -37.99 69.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 109.02 179.947 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.75 -44.5 85.76 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.691 -0.855 . . . . 2.77 108.691 179.244 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -55.86 -50.8 69.59 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.703 -0.623 . . . . 0.42999999999999999 109.81 179.912 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.59 -40.09 62.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.336 -0.853 . . . . 1.6599999999999999 110.014 -179.484 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.94 -49.5 74.52 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.234 -0.916 . . . . 0.44 110.341 -179.133 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.84 -44.27 97.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.28999999999999998 109.29 -179.642 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.94 -43.44 60.19 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 2.4399999999999999 109.467 179.646 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.03 -49.65 76.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 1.74 109.454 -179.996 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.09 -36.35 77.21 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 0.29999999999999999 108.602 179.582 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.76 -57.99 10.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.494 -0.754 . . . . 1.22 109.367 179.571 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.3 -32.0 73.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.465 -0.772 . . . . 1.72 109.925 -179.753 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.26 66.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.202 -0.936 . . . . 0.27000000000000002 109.918 -179.396 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.14 -47.51 85.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.301 -0.874 . . . . 0.28999999999999998 109.368 -179.959 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.79 62.2 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 108.865 179.643 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.411 HD11 ' NE2' ' B' ' 354' ' ' GLN . 0.0 OUTLIER -66.16 -57.95 6.5 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.348 -0.982 . . . . 0.40999999999999998 108.348 179.826 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.473 ' CB ' ' NZ ' ' A' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.13 71.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.843 0.83 . . . . 1.5600000000000001 108.778 -179.819 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.37 -37.96 76.28 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.739 -0.601 . . . . 1.4299999999999999 109.668 179.6 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.39 72.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.9 . . . . 0.66000000000000003 109.822 -179.634 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -80.39 1.79 27.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.282 -0.886 . . . . 1.1799999999999999 109.732 -179.724 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.34 -84.57 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.167 -0.958 . . . . 1.23 109.423 179.952 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.21 99.08 1.79 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.537 -1.425 . . . . 1.54 109.537 179.981 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.25 93.26 9.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.249 -1.148 . . . . 4.1799999999999997 109.358 179.981 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.4 119.08 12.14 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 5.71 109.345 179.956 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.02 135.32 65.73 Favored 'Trans proline' 0 C--N 1.325 -0.673 0 N-CA-C 109.81 -0.881 . . . . 5.6100000000000003 109.81 179.883 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 118.005 -1.442 . . . . 7.2400000000000002 109.529 -179.918 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.26 -0.644 . . . . 7.3399999999999999 109.26 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' B' ' 321' ' ' LYS . 20.2 mtmm 52.39 50.36 18.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.363 -0.836 . . . . 7.1699999999999999 109.964 179.732 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.497 ' O ' ' O ' ' B' ' 320' ' ' LYS . 47.9 mttp 56.79 152.23 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.836 -0.54 . . . . 6.4400000000000004 109.731 179.598 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -61.4 -80.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 121.055 1.17 . . . . 4.54 110.642 -179.986 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.86 121.32 25.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 4.3200000000000003 109.985 -178.973 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -81.97 -133.35 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.39 -0.819 . . . . 2.4700000000000002 109.485 179.599 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.87 171.42 41.89 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.893 -1.283 . . . . 0.94999999999999996 109.893 -179.858 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -60.41 137.77 58.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.295 -1.12 . . . . 1.6100000000000001 109.789 179.992 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -95.69 158.39 15.47 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.276 -0.89 . . . . 0.56999999999999995 109.891 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.491 ' O ' ' NE2' ' D' ' 331' ' ' GLN . 98.3 m-85 -139.99 -169.61 2.77 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.364 -0.835 . . . . 0.53000000000000003 109.465 -179.94 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.37 151.3 32.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.287 -0.883 . . . . 0.38 108.698 179.803 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.03 133.87 25.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.124 -0.985 . . . . 0.35999999999999999 110.082 -178.339 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' D' ' 328' ' ' PHE . 34.6 tp60 -84.46 129.07 34.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.499 -0.926 . . . . 1.3600000000000001 108.499 179.024 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.4 mt -123.32 113.69 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.412 -0.805 . . . . 0.48999999999999999 109.238 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.9 147.62 40.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.525 -0.735 . . . . 2.1000000000000001 109.713 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.94 136.87 5.37 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.999 -1.24 . . . . 0.44 109.999 179.546 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -50.49 8.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.334 -1.098 . . . . 2.7200000000000002 109.306 179.649 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.21 -37.47 69.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.212 -0.93 . . . . 2.21 108.983 -179.947 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.2 -44.37 84.1 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.659 -0.867 . . . . 2.79 108.659 179.299 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.94 -50.72 69.99 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.736 -0.603 . . . . 0.45000000000000001 109.751 179.913 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -52.66 -40.13 62.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.376 -0.827 . . . . 1.6799999999999999 109.962 -179.412 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.89 -49.53 74.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.287 -0.883 . . . . 0.42999999999999999 110.358 -179.169 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -60.79 -44.33 96.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.069 -1.019 . . . . 0.28000000000000003 109.251 -179.622 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.97 -43.52 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.927 . . . . 2.52 109.366 179.738 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.91 -49.79 76.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 1.75 109.44 -179.993 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.11 -36.38 77.32 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.216 -0.928 . . . . 0.31 108.576 179.666 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.69 -57.98 10.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.416 -0.802 . . . . 1.21 109.358 179.539 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.34 -32.14 73.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.431 -0.793 . . . . 1.6899999999999999 109.939 -179.76 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.18 66.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.27000000000000002 109.92 -179.408 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.32 -47.27 86.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.22 -0.925 . . . . 0.29999999999999999 109.32 -179.94 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -57.88 -26.79 62.59 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.297 -0.877 . . . . 1.9299999999999999 108.778 179.671 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 350' ' ' LEU . 0.0 OUTLIER -66.07 -57.84 6.81 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.401 -0.963 . . . . 0.40000000000000002 108.401 179.773 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.484 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 2.7 ttmp? -59.04 -34.22 71.67 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.771 -0.826 . . . . 1.5900000000000001 108.771 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.774 -0.579 . . . . 1.4299999999999999 109.615 179.612 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -46.48 72.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.65000000000000002 109.84 -179.659 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.411 ' NE2' HD11 ' A' ' 350' ' ' LEU . 25.7 mt-30 -80.37 1.74 27.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -0.902 . . . . 1.1899999999999999 109.679 -179.687 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.39 -84.54 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.141 -0.975 . . . . 1.22 109.398 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.22 99.08 1.79 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.621 -1.392 . . . . 1.53 109.621 179.952 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.18 93.26 9.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.235 . . . . 4.21 109.379 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.51 119.12 12.44 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 5.6799999999999997 109.258 -179.983 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.03 135.38 66.09 Favored 'Trans proline' 0 C--O 1.214 -0.708 0 N-CA-C 109.763 -0.899 . . . . 5.5700000000000003 109.763 179.841 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.986 -1.452 . . . . 7.2000000000000002 109.545 -179.976 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.237 -0.653 . . . . 8.9600000000000009 109.237 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' C' ' 321' ' ' LYS . 20.1 mtmm 52.45 50.26 18.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.301 -0.874 . . . . 8.1500000000000004 109.9 179.645 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' C' ' 320' ' ' LYS . 48.0 mttp 56.83 152.19 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.821 -0.55 . . . . 7.1500000000000004 109.662 179.52 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.27 -81.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.794 0 C-N-CA 121.092 1.194 . . . . 4.3499999999999996 110.629 179.965 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.81 121.29 25.19 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 4.6299999999999999 110.039 -178.967 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -81.99 -133.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.823 . . . . 2.8500000000000001 109.546 179.58 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.81 171.36 41.78 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.933 -1.267 . . . . 1.1200000000000001 109.933 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.38 137.82 58.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.332 -1.099 . . . . 2.1099999999999999 109.743 179.98 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.74 158.47 15.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.324 -0.86 . . . . 0.64000000000000001 109.846 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.475 ' O ' ' NE2' ' A' ' 331' ' ' GLN . 98.5 m-85 -140.07 -169.44 2.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.48999999999999999 109.496 179.99 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.74 150.86 31.56 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.637 -0.875 . . . . 0.46999999999999997 108.637 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.4 tp -142.62 134.21 26.61 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.29 -0.881 . . . . 0.41999999999999998 110.042 -178.293 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 328' ' ' PHE . 35.1 tp60 -84.74 129.04 34.88 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.474 -0.935 . . . . 1.8100000000000001 108.474 178.994 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.37 113.79 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.161 -179.675 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.86 147.45 41.07 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.588 -0.695 . . . . 2.3500000000000001 109.835 179.931 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.05 136.9 5.44 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.06 -1.216 . . . . 0.40999999999999998 110.06 179.579 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.594 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -50.4 8.45 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.334 -1.098 . . . . 2.5899999999999999 109.334 179.713 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -56.1 -37.91 70.03 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.254 -0.904 . . . . 2.54 108.993 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -65.83 -44.48 85.42 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.677 -0.86 . . . . 3.3900000000000001 108.677 179.268 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.82 -50.88 69.32 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.616 -0.677 . . . . 0.46999999999999997 109.809 179.861 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -52.6 -40.09 62.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.373 -0.829 . . . . 1.6599999999999999 109.995 -179.467 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.9 -49.44 74.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 110.43 -179.212 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.9 -44.3 97.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.066 -1.021 . . . . 0.33000000000000002 109.216 -179.609 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -50.94 -43.52 60.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 3.2799999999999998 109.39 179.71 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.92 -49.77 76.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.889 . . . . 1.78 109.469 179.987 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.98 -36.47 77.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 0.38 108.564 179.622 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -58.64 -58.0 10.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.518 -0.739 . . . . 1.2 109.313 179.634 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.36 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 2.1200000000000001 109.94 -179.726 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.78 -52.25 66.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.241 -0.912 . . . . 0.26000000000000001 109.93 -179.489 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.23 -47.33 86.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.082 -1.011 . . . . 0.40000000000000002 109.364 -179.942 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -57.83 -26.81 62.53 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.862 . . . . 2.0899999999999999 108.768 179.66 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -57.97 6.59 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.331 -0.989 . . . . 0.75 108.331 179.798 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 2.7 ttmp? -59.01 -34.2 71.6 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.773 -0.825 . . . . 2.1899999999999999 108.773 -179.831 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.31 -38.01 76.21 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.312 0.577 . . . . 1.3400000000000001 109.7 179.573 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.48 71.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.902 . . . . 0.71999999999999997 109.826 -179.619 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.427 ' NE2' HD11 ' D' ' 350' ' ' LEU . 25.7 mt-30 -80.32 1.76 27.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.292 -0.88 . . . . 1.8 109.712 -179.737 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.29 -84.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.095 -1.003 . . . . 1.3899999999999999 109.412 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.14 99.02 1.78 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.582 -1.407 . . . . 1.6599999999999999 109.582 179.94 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.17 93.27 9.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.244 -1.151 . . . . 4.4500000000000002 109.356 179.967 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.53 119.14 12.53 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.332 -0.855 . . . . 6.1900000000000004 109.246 -179.967 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.04 135.41 66.25 Favored 'Trans proline' 0 C--O 1.215 -0.653 0 N-CA-C 109.743 -0.907 . . . . 5.5800000000000001 109.743 179.809 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 CA-C-O 117.99 -1.45 . . . . 6.9000000000000004 109.523 -179.957 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.299 -0.63 . . . . 7.3600000000000003 109.299 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' D' ' 321' ' ' LYS . 20.1 mtmm 52.38 50.4 18.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.287 -0.883 . . . . 7.1500000000000004 109.903 179.732 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' D' ' 320' ' ' LYS . 47.9 mttp 56.75 152.2 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.826 -0.546 . . . . 6.5 109.756 179.523 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -61.36 -80.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.74 0 C-N-CA 121.115 1.21 . . . . 4.5 110.615 -179.981 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.85 121.38 25.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.219 -0.926 . . . . 4.3200000000000003 109.957 -178.962 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.03 -133.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.356 -0.84 . . . . 2.46 109.475 179.524 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.67 171.42 41.21 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.923 -1.271 . . . . 0.96999999999999997 109.923 -179.825 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.42 137.77 58.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.346 -1.09 . . . . 1.6699999999999999 109.634 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.77 158.12 15.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.374 -0.829 . . . . 0.60999999999999999 109.899 179.943 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.551 ' O ' ' NE2' ' B' ' 331' ' ' GLN . 98.3 m-85 -139.87 -169.79 2.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.395 -0.816 . . . . 0.56000000000000005 109.502 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.05 151.67 33.61 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.205 -0.935 . . . . 0.42999999999999999 108.633 179.872 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.5 tp -143.37 133.7 24.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.27 -0.894 . . . . 0.34999999999999998 109.994 -178.3 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 328' ' ' PHE . 35.1 tp60 -84.31 129.09 34.9 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.505 -0.924 . . . . 1.3700000000000001 108.505 178.974 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.42 113.81 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.372 -0.83 . . . . 0.47999999999999998 109.205 -179.788 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -74.91 147.51 40.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.49 -0.756 . . . . 2.0800000000000001 109.727 -179.958 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.08 136.84 5.44 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.041 -1.224 . . . . 0.40000000000000002 110.041 179.547 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.25 -50.46 8.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -1.093 . . . . 2.6400000000000001 109.323 179.656 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -56.17 -37.68 69.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.969 -179.988 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -65.97 -44.52 84.69 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.659 -0.867 . . . . 2.7400000000000002 108.659 179.21 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.76 -50.93 69.09 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.668 -0.645 . . . . 0.42999999999999999 109.768 179.944 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -52.52 -40.06 62.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 1.6899999999999999 110.062 -179.508 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -62.94 -49.54 74.33 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.259 -0.901 . . . . 0.42999999999999999 110.422 -179.197 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.72 -44.34 96.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.053 -1.029 . . . . 0.27000000000000002 109.265 -179.691 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -51.02 -43.4 60.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.296 -0.878 . . . . 2.4500000000000002 109.378 179.773 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.94 -49.78 76.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -0.941 . . . . 1.75 109.497 179.964 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -59.99 -36.5 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.197 -0.939 . . . . 0.31 108.595 179.637 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -58.61 -57.96 10.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.498 -0.751 . . . . 1.22 109.392 179.559 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -64.37 -32.04 73.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 1.73 109.971 -179.776 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.426 ' HB2' ' HZ3' ' C' ' 351' ' ' LYS . . . -58.86 -52.23 66.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.28000000000000003 109.883 -179.423 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -47.39 86.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.31 109.286 -179.855 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -57.68 -26.69 62.06 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 108.863 179.589 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.427 HD11 ' NE2' ' C' ' 354' ' ' GLN . 0.0 OUTLIER -66.22 -58.0 6.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.329 -0.989 . . . . 0.42999999999999999 108.329 179.833 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.486 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 2.7 ttmp? -58.94 -34.11 71.38 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.838 0.828 . . . . 1.5700000000000001 108.804 -179.862 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.42 -37.94 76.41 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.35 0.595 . . . . 1.4399999999999999 109.586 179.67 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.5 71.83 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.143 -0.973 . . . . 0.64000000000000001 109.816 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -80.28 1.68 27.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.308 -0.87 . . . . 1.21 109.758 -179.728 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.24 -84.56 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.12 -0.987 . . . . 1.22 109.46 179.938 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.22 99.04 1.79 Allowed Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.624 -1.39 . . . . 1.5 109.624 179.939 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -87.15 93.26 9.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -1.184 . . . . 4.1799999999999997 109.318 -179.973 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.45 119.06 12.19 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 5.6699999999999999 109.308 179.941 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -58.97 135.39 66.35 Favored 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.861 -0.861 . . . . 5.6500000000000004 109.861 179.778 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 CA-C-O 117.921 -1.488 . . . . 7.2699999999999996 109.6 -179.967 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.332 -0.618 . . . . 7.3300000000000001 109.332 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.5 OUTLIER 73.1 -38.19 0.41 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 7.21 109.469 179.958 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 319' ' ' LYS . 47.3 tttm 52.63 67.86 3.56 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 6.4699999999999998 109.819 179.83 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.85 133.0 36.97 Favored 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.453 1.435 . . . . 4.5300000000000002 109.947 -179.772 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.9 mt -80.98 111.57 17.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.179 -0.951 . . . . 4.3499999999999996 109.226 179.717 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.96 -148.98 0.05 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.34 -0.85 . . . . 2.48 109.808 -179.832 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 179.72 21.88 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.784 -1.327 . . . . 0.97999999999999998 109.784 -179.866 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -59.97 136.29 57.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -1.133 . . . . 1.7 109.728 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.09 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.253 -0.904 . . . . 0.60999999999999999 109.534 179.768 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.93 -172.91 3.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.57999999999999996 109.419 -179.943 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 39.9 p -150.93 150.14 30.48 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.558 -0.904 . . . . 0.41999999999999998 108.558 -179.982 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -141.74 132.27 25.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.258 -0.902 . . . . 0.35999999999999999 109.693 -178.771 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -85.64 129.87 34.71 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.828 -0.804 . . . . 1.3700000000000001 108.828 179.304 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.57 114.18 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.446 -0.784 . . . . 0.46999999999999997 109.1 -179.759 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.79 144.87 43.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.434 -0.791 . . . . 2.1000000000000001 109.783 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.43 134.67 5.37 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.114 -1.194 . . . . 0.41999999999999998 110.114 179.532 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -80.92 -42.89 20.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.464 -1.021 . . . . 2.6800000000000002 109.32 179.566 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.41 -45.32 88.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 2.2200000000000002 109.336 179.772 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.7 -40.68 97.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 2.77 109.227 179.871 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -56.14 -54.0 50.36 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.522 -0.736 . . . . 0.42999999999999999 109.99 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -50.84 -39.07 52.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.466 -0.771 . . . . 1.6599999999999999 110.123 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.92 -51.18 67.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.196 -0.94 . . . . 0.44 110.302 -179.362 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.25 -45.66 93.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.079 -1.013 . . . . 0.28999999999999998 109.188 -179.732 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.53 -42.52 61.84 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.282 -0.887 . . . . 2.4399999999999999 109.511 179.733 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.22 -51.08 71.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.13 -0.981 . . . . 1.74 109.809 -179.77 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.51 -37.01 79.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.16 -0.962 . . . . 0.29999999999999999 108.801 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.63 -54.48 46.64 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.41 -0.806 . . . . 1.22 109.392 179.654 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.77 -32.42 73.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.394 -0.816 . . . . 1.72 109.812 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.85 -56.67 19.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.348 -0.845 . . . . 0.27000000000000002 110.115 -179.446 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.82 -42.76 98.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.14 -0.975 . . . . 0.28999999999999998 109.284 -179.813 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.26 -37.1 74.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.969 . . . . 1.9099999999999999 108.867 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.444 HD21 ' NE2' ' B' ' 354' ' ' GLN . 5.0 tp -63.65 -42.44 98.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.517 -0.92 . . . . 0.40999999999999998 108.517 179.56 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.67 -53.8 41.75 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.802 -0.814 . . . . 1.5600000000000001 108.802 178.916 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.1 62.12 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.736 -0.602 . . . . 1.4299999999999999 109.603 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.35 85.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.66000000000000003 109.494 -179.811 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' B' ' 350' ' ' LEU . 27.3 mt-30 -82.62 -10.83 58.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.865 . . . . 1.1799999999999999 109.318 179.934 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -7.11 48.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.92 . . . . 1.23 109.283 179.778 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -9.5 78.96 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.366 -1.494 . . . . 1.54 109.366 179.929 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.05 136.17 33.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -1.134 . . . . 4.1799999999999997 109.273 -179.942 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 360' ' ' GLY . 97.3 mt-10 -51.1 150.7 5.42 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 5.71 109.116 -179.805 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.55 4.25 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 120.89 1.06 . . . . 5.6100000000000003 110.137 179.297 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.008 -1.44 . . . . 7.2400000000000002 109.666 -179.95 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' B' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.399 -0.593 . . . . 7.3399999999999999 109.399 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.5 OUTLIER 73.04 -38.17 0.41 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.508 -0.745 . . . . 7.1699999999999999 109.525 -179.927 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' B' ' 319' ' ' LYS . 47.3 tttm 52.67 67.78 3.62 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.162 -0.961 . . . . 6.4400000000000004 109.837 179.836 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.79 133.02 37.22 Favored 'Trans proline' 0 C--N 1.316 -1.142 0 C-N-CA 121.391 1.394 . . . . 4.54 110.005 -179.839 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.06 111.66 17.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 4.3200000000000003 109.221 179.747 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.06 -149.0 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.329 -0.857 . . . . 2.4700000000000002 109.769 -179.796 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 179.59 22.06 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.94999999999999996 109.757 -179.804 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -59.95 136.23 57.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -1.091 . . . . 1.6100000000000001 109.784 -179.94 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -94.06 162.34 13.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.275 -0.891 . . . . 0.56999999999999995 109.552 179.841 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.9 -172.87 3.49 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.352 -0.843 . . . . 0.53000000000000003 109.425 -179.864 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -151.0 150.19 30.47 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.566 -0.902 . . . . 0.38 108.566 -179.979 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.87 132.23 25.1 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.275 -0.891 . . . . 0.35999999999999999 109.648 -178.688 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.62 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.808 -0.812 . . . . 1.3600000000000001 108.808 179.349 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.56 114.25 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.51 -0.744 . . . . 0.48999999999999999 109.092 -179.815 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.8 144.84 43.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.455 -0.778 . . . . 2.1000000000000001 109.825 -179.964 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.46 134.59 5.36 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.182 -1.167 . . . . 0.44 110.182 179.573 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.85 -42.91 20.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.414 -1.05 . . . . 2.7200000000000002 109.273 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.4 -45.39 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.21 109.28 179.799 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.68 -40.67 97.84 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.296 -0.877 . . . . 2.79 109.287 179.923 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.09 -54.0 50.3 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.513 -0.742 . . . . 0.45000000000000001 109.953 -179.85 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -50.84 -39.2 52.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 110.037 -179.463 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.82 -51.18 68.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.206 -0.934 . . . . 0.42999999999999999 110.288 -179.308 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.31 -45.69 93.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 0.28000000000000003 109.188 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.41 -42.67 61.61 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.287 -0.883 . . . . 2.52 109.472 179.67 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.17 -51.13 70.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.127 -0.983 . . . . 1.75 109.858 -179.753 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.53 -36.91 79.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.209 -0.932 . . . . 0.31 108.788 179.936 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.67 -54.44 47.07 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.427 -0.796 . . . . 1.21 109.388 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.48 73.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.337 -0.852 . . . . 1.6899999999999999 109.741 -179.799 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.7 18.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.27000000000000002 110.072 -179.484 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.83 -42.82 98.47 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.101 -0.999 . . . . 0.29999999999999999 109.32 -179.785 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.31 -36.97 74.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.193 -0.942 . . . . 1.9299999999999999 108.911 179.578 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.445 HD21 ' NE2' ' A' ' 354' ' ' GLN . 5.0 tp -63.66 -42.42 98.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.484 -0.932 . . . . 0.40000000000000002 108.484 179.477 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.65 -53.85 41.02 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.779 -0.822 . . . . 1.5900000000000001 108.779 178.899 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -30.08 62.13 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.792 -0.567 . . . . 1.4299999999999999 109.64 -179.994 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.43 85.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 0.65000000000000002 109.5 -179.802 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.444 ' NE2' HD21 ' A' ' 350' ' ' LEU . 27.4 mt-30 -82.52 -10.86 58.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 1.1899999999999999 109.363 179.877 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.52 -7.13 48.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 1.22 109.301 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -9.41 79.24 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.413 -1.475 . . . . 1.53 109.413 179.876 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.04 136.16 33.35 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.181 -1.188 . . . . 4.21 109.312 179.962 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 360' ' ' GLY . 97.2 mt-10 -51.26 150.79 5.69 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.225 -0.922 . . . . 5.6799999999999997 109.107 -179.727 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.54 4.22 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 120.953 1.102 . . . . 5.5700000000000003 110.162 179.313 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.361 0 CA-C-O 118.04 -1.422 . . . . 7.2000000000000002 109.586 179.991 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' C' ' 321' ' ' LYS . 16.9 pttp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.428 -0.582 . . . . 8.9600000000000009 109.428 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.5 OUTLIER 73.17 -38.25 0.41 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.62 -0.675 . . . . 8.1500000000000004 109.482 -179.989 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' C' ' 319' ' ' LYS . 47.3 tttm 52.66 67.87 3.55 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 7.1500000000000004 109.764 179.845 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.77 132.92 36.86 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 121.425 1.417 . . . . 4.3499999999999996 109.984 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 43.0 mt -80.97 111.72 17.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 4.6299999999999999 109.26 179.653 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.09 -148.95 0.06 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 2.8500000000000001 109.753 -179.788 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 179.69 22.16 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.772 -1.331 . . . . 1.1200000000000001 109.772 -179.801 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -59.94 136.23 57.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.346 -1.091 . . . . 2.1099999999999999 109.718 -179.94 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.0 162.42 13.89 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -0.918 . . . . 0.64000000000000001 109.601 179.73 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -140.06 -172.95 3.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.334 -0.854 . . . . 0.48999999999999999 109.461 -179.917 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.1 p -150.95 150.06 30.36 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.25 -0.907 . . . . 0.46999999999999997 108.627 -179.968 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 50.9 tp -141.69 132.39 25.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.278 -0.889 . . . . 0.41999999999999998 109.706 -178.747 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.71 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.791 -0.818 . . . . 1.8100000000000001 108.791 179.399 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.6 mt -123.58 114.14 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.433 -0.792 . . . . 0.41999999999999998 109.084 -179.745 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.73 144.82 43.48 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.391 -0.818 . . . . 2.3500000000000001 109.777 -179.924 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.36 134.59 5.32 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 110.139 -1.184 . . . . 0.40999999999999998 110.139 179.558 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.8 -42.91 20.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.445 -1.032 . . . . 2.5899999999999999 109.246 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.52 -45.27 89.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.316 -0.865 . . . . 2.54 109.278 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -62.71 -40.65 97.84 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.272 -0.893 . . . . 3.3900000000000001 109.283 179.81 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.18 -54.02 50.18 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.74 . . . . 0.46999999999999997 109.93 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.74 -39.25 51.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.322 -0.861 . . . . 1.6599999999999999 110.034 -179.519 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.9 -51.07 68.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.177 -0.952 . . . . 0.60999999999999999 110.305 -179.288 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -61.37 -45.64 93.51 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.143 -0.973 . . . . 0.33000000000000002 109.192 -179.704 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -51.49 -42.51 61.73 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.357 -0.839 . . . . 3.2799999999999998 109.538 179.66 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -60.26 -51.05 71.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.202 -0.936 . . . . 1.78 109.818 -179.766 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.58 -36.97 79.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.257 -0.902 . . . . 0.38 108.761 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.66 -54.48 46.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.465 -0.772 . . . . 1.2 109.427 179.644 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.66 -32.57 73.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.387 -0.821 . . . . 2.1200000000000001 109.799 -179.897 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.78 -56.75 18.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.26000000000000001 110.117 -179.463 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -42.73 98.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.152 -0.968 . . . . 0.40000000000000002 109.36 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.32 -37.01 74.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.144 -0.972 . . . . 2.0899999999999999 108.871 179.528 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.498 HD21 ' NE2' ' D' ' 354' ' ' GLN . 5.0 tp -63.68 -42.49 98.01 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.492 -0.929 . . . . 0.75 108.492 179.492 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.64 -53.73 42.89 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.796 -0.816 . . . . 2.1899999999999999 108.796 178.959 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -30.18 62.22 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 121.237 0.541 . . . . 1.3400000000000001 109.647 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.4 85.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 0.71999999999999997 109.54 -179.857 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' D' ' 350' ' ' LEU . 27.3 mt-30 -82.51 -10.89 58.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 1.8 109.389 179.869 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.47 -7.12 48.27 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.281 -0.887 . . . . 1.3899999999999999 109.29 179.818 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -9.5 79.1 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.423 -1.471 . . . . 1.6599999999999999 109.423 179.92 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -86.07 136.27 33.3 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -1.123 . . . . 4.4500000000000002 109.259 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' C' ' 360' ' ' GLY . 97.3 mt-10 -51.22 150.76 5.62 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.182 -0.948 . . . . 6.1900000000000004 109.144 -179.783 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.46 4.06 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 120.946 1.097 . . . . 5.5800000000000001 110.165 179.308 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.934 -1.481 . . . . 6.9000000000000004 109.642 -179.962 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' D' ' 321' ' ' LYS . 16.8 pttp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.419 -0.586 . . . . 7.3600000000000003 109.419 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.5 OUTLIER 73.1 -38.24 0.41 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.619 -0.676 . . . . 7.1500000000000004 109.534 -179.924 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' D' ' 319' ' ' LYS . 47.2 tttm 52.61 67.85 3.57 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 6.5 109.82 179.874 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.7 132.91 37.02 Favored 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.449 1.433 . . . . 4.5 110.001 -179.884 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 42.9 mt -80.91 111.68 17.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.28 -0.887 . . . . 4.3200000000000003 109.227 179.627 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.09 -148.97 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 2.46 109.76 -179.843 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.78 179.74 21.94 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.797 -1.321 . . . . 0.96999999999999997 109.797 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -60.09 136.24 57.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -1.089 . . . . 1.6699999999999999 109.755 -179.902 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -94.07 162.35 13.91 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.347 -0.846 . . . . 0.60999999999999999 109.565 179.791 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -139.85 -172.87 3.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.283 -0.885 . . . . 0.56000000000000005 109.437 -179.861 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 39.8 p -150.99 150.21 30.51 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.541 -0.911 . . . . 0.42999999999999999 108.541 179.986 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -141.89 132.2 25.02 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.93 . . . . 0.34999999999999998 109.695 -178.735 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -85.56 129.93 34.7 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.803 -0.814 . . . . 1.3700000000000001 108.803 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.6 114.22 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.392 -0.818 . . . . 0.47999999999999998 109.099 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.86 144.81 43.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.429 -0.795 . . . . 2.0800000000000001 109.742 -179.855 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.45 134.68 5.38 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.125 -1.19 . . . . 0.40000000000000002 110.125 179.548 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -80.92 -42.89 20.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.449 -1.03 . . . . 2.6400000000000001 109.269 179.633 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -58.49 -45.3 89.0 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.239 179.819 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.303 -0.873 . . . . 2.7400000000000002 109.266 179.864 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -56.12 -53.99 50.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.544 -0.723 . . . . 0.42999999999999999 109.986 -179.845 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -50.79 -39.14 52.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.421 -0.799 . . . . 1.6899999999999999 110.121 -179.574 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.95 -51.13 68.07 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.175 -0.953 . . . . 0.42999999999999999 110.317 -179.305 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.19 -45.7 93.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.138 -0.976 . . . . 0.27000000000000002 109.233 -179.79 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -51.5 -42.52 61.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.223 -0.923 . . . . 2.4500000000000002 109.542 179.712 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.18 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.068 -1.02 . . . . 1.75 109.828 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.51 -37.02 79.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.31 108.761 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -58.68 -54.36 47.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.425 -0.797 . . . . 1.22 109.438 179.63 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.84 -32.46 73.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.377 -0.827 . . . . 1.73 109.776 -179.834 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.79 -56.7 18.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.87 . . . . 0.28000000000000003 110.093 -179.491 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.77 -42.86 98.33 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.31 109.317 -179.789 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -58.22 -37.06 74.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.954 . . . . 1.9099999999999999 108.881 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.406 HD21 ' NE2' ' C' ' 354' ' ' GLN . 5.0 tp -63.59 -42.65 98.25 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.508 -0.923 . . . . 0.42999999999999999 108.508 179.484 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -64.52 -53.83 41.86 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.76 -0.829 . . . . 1.5700000000000001 108.76 179.02 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.23 62.12 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.219 0.533 . . . . 1.4399999999999999 109.613 -179.965 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.39 85.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 0.64000000000000001 109.431 -179.75 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.498 ' NE2' HD21 ' C' ' 350' ' ' LEU . 27.2 mt-30 -82.58 -10.87 58.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.279 -0.888 . . . . 1.21 109.331 179.946 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.47 -7.09 48.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 1.22 109.263 179.829 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -9.49 78.93 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.375 -1.49 . . . . 1.5 109.375 179.921 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -85.99 136.13 33.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -1.133 . . . . 4.1799999999999997 109.287 179.979 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' D' ' 360' ' ' GLY . 97.2 mt-10 -51.18 150.77 5.53 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 5.6699999999999999 109.081 -179.773 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.52 4.14 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 120.945 1.097 . . . . 5.6500000000000004 110.159 179.297 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.375 0 CA-C-O 117.989 -1.45 . . . . 7.2699999999999996 109.567 -179.95 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.51 -0.552 . . . . 7.3300000000000001 109.51 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 76.7 mttt 55.03 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.43 -0.794 . . . . 7.21 109.824 -179.935 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 319' ' ' LYS . 33.7 ttpt 58.08 69.43 1.52 Allowed Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.207 -0.933 . . . . 6.4699999999999998 109.399 -179.869 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.71 -34.57 73.12 Favored 'Trans proline' 0 C--N 1.319 -0.996 0 C-N-CA 121.748 1.632 . . . . 4.5300000000000002 110.835 -179.311 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.5 mt -80.36 104.54 10.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.983 -1.073 . . . . 4.3499999999999996 109.89 -179.371 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.09 105.68 14.27 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.399 -0.813 . . . . 2.48 109.502 179.611 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.454 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -71.17 153.42 51.0 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.86 -1.296 . . . . 0.97999999999999998 109.86 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.27 126.11 26.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.203 -1.175 . . . . 1.7 109.1 179.537 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 66.4 m-85 -95.44 153.33 17.75 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.197 -0.94 . . . . 0.60999999999999999 110.021 -179.761 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -140.77 137.25 33.25 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.866 -0.79 . . . . 0.57999999999999996 108.866 179.256 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.77 163.68 13.25 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.348 -0.845 . . . . 0.41999999999999998 109.221 -179.925 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.55 132.92 14.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.35999999999999999 109.866 -179.563 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.85 128.02 34.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.467 -0.938 . . . . 1.3700000000000001 108.467 179.038 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.43 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.625 -0.672 . . . . 0.46999999999999997 110.051 -179.377 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 333' ' ' ARG . 21.3 ttt-85 -75.68 153.31 37.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.475 -0.766 . . . . 2.1000000000000001 109.69 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.13 133.8 2.15 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 110.202 -1.159 . . . . 0.41999999999999998 110.202 179.381 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -81.16 -50.13 9.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.349 -1.089 . . . . 2.6800000000000002 109.455 179.633 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.09 -40.01 80.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 2.2200000000000002 108.995 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.82 -45.54 92.12 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.625 -0.88 . . . . 2.77 108.625 179.337 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -56.06 -50.11 71.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.599 -0.688 . . . . 0.42999999999999999 109.355 179.457 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.76 -42.19 64.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.119 -179.668 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.57 -49.05 76.81 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.21 -0.931 . . . . 0.44 110.469 -179.141 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.48 -46.22 90.96 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 109.37 -179.66 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -51.97 -45.29 64.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.198 -0.939 . . . . 2.4399999999999999 109.447 179.699 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.94 -47.62 85.59 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.74 109.878 -179.822 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.48 -41.81 97.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.29999999999999999 109.296 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.81 -50.35 74.3 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.174 -0.954 . . . . 1.22 109.26 179.538 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.4 -33.64 75.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.385 -0.822 . . . . 1.72 109.595 -179.957 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.67 -51.0 71.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.932 . . . . 0.27000000000000002 109.643 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.12 -43.81 98.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.28999999999999998 109.351 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.87 -35.32 72.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.494 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' B' ' 350' ' ' LEU . 2.2 tt -65.78 -52.6 49.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.3 -0.875 . . . . 0.40999999999999998 109.209 -179.874 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.7 -35.55 76.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.34 -0.85 . . . . 1.5600000000000001 109.09 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.157 179.771 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.27 -49.06 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.66000000000000003 109.662 179.932 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.64 3.99 20.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.379 -0.826 . . . . 1.1799999999999999 109.865 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -81.07 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.169 -0.957 . . . . 1.23 109.644 -179.98 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.79 55.15 3.43 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.876 -1.29 . . . . 1.54 109.876 -179.728 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.44 118.8 26.1 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.124 -1.221 . . . . 4.1799999999999997 109.215 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 360' ' ' GLY . 16.2 mp0 -50.75 152.5 3.47 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.908 . . . . 5.71 109.284 -179.552 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.29 4.62 0.23 Allowed 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 121.09 1.193 . . . . 5.6100000000000003 110.165 179.339 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.43 0 N-CA-C 109.327 -1.509 . . . . 7.2400000000000002 109.327 -179.901 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' B' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.391 -0.596 . . . . 7.3399999999999999 109.391 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 76.7 mttt 55.11 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.337 -0.852 . . . . 7.1699999999999999 109.783 -179.864 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' B' ' 319' ' ' LYS . 33.7 ttpt 58.11 69.5 1.49 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.227 -0.921 . . . . 6.4400000000000004 109.395 -179.857 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -62.8 -34.62 72.08 Favored 'Trans proline' 0 C--N 1.32 -0.964 0 C-N-CA 121.765 1.643 . . . . 4.54 110.831 -179.232 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.3 mt -80.24 104.47 10.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.992 -1.067 . . . . 4.3200000000000003 109.957 -179.408 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.02 106.25 14.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 2.4700000000000002 109.444 179.602 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.459 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -72.1 153.38 49.66 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.796 -1.322 . . . . 0.94999999999999996 109.796 -179.823 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -60.05 126.12 26.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -1.13 . . . . 1.6100000000000001 109.126 179.692 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.459 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 67.1 m-85 -95.47 153.26 17.79 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.239 -0.913 . . . . 0.56999999999999995 109.969 -179.731 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -140.76 137.37 33.35 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.801 -0.814 . . . . 0.53000000000000003 108.801 179.227 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.67 163.93 13.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 0.38 109.223 -179.945 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.8 132.8 14.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.13 -0.981 . . . . 0.35999999999999999 109.929 -179.681 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -85.81 128.06 34.71 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.46 -0.941 . . . . 1.3600000000000001 108.46 179.047 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.65 115.56 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.442 -0.786 . . . . 0.48999999999999999 110.065 -179.412 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.465 ' HG2' HH11 ' B' ' 333' ' ' ARG . 21.7 ttt-85 -75.65 153.27 37.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.521 -0.737 . . . . 2.1000000000000001 109.766 179.701 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.02 134.04 2.16 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.301 -1.12 . . . . 0.44 110.301 179.453 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.34 -50.2 9.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.343 -1.092 . . . . 2.7200000000000002 109.374 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -40.09 79.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -0.956 . . . . 2.21 108.969 179.7 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.73 -45.63 91.85 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.613 -0.884 . . . . 2.79 108.613 179.384 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.0 -50.05 71.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.64 -0.663 . . . . 0.45000000000000001 109.431 179.463 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.77 -42.27 64.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.069 -179.71 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.49 -49.15 76.5 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.28 -0.887 . . . . 0.42999999999999999 110.371 -179.099 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -61.56 -46.16 91.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.048 -1.032 . . . . 0.28000000000000003 109.295 -179.54 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.04 -45.2 64.56 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.265 -0.897 . . . . 2.52 109.502 179.725 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.93 -47.76 84.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.75 109.804 -179.819 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.4 -41.74 97.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 0.31 109.331 -179.899 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.82 -50.4 74.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.078 -1.014 . . . . 1.21 109.236 179.507 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.33 -33.68 75.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.364 -0.835 . . . . 1.6899999999999999 109.665 -179.976 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.62 -50.98 71.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.705 -179.77 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.01 -43.83 98.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.253 -0.905 . . . . 0.29999999999999999 109.349 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.03 -35.18 72.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.458 -179.987 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.542 HD22 HD22 ' A' ' 350' ' ' LEU . 2.2 tt -65.85 -52.55 49.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.40000000000000002 109.219 -179.914 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -60.8 -35.47 76.57 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.251 -0.906 . . . . 1.5900000000000001 109.128 179.955 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -34.42 66.94 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.193 179.639 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.1 63.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.288 -0.883 . . . . 0.65000000000000002 109.666 179.943 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.67 3.9 20.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.277 -0.889 . . . . 1.1899999999999999 109.788 -179.72 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.117 -0.99 . . . . 1.22 109.697 -179.996 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.86 55.15 3.46 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.869 -1.292 . . . . 1.53 109.869 -179.717 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.44 118.81 26.11 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.276 -1.131 . . . . 4.21 109.248 179.796 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 360' ' ' GLY . 16.1 mp0 -50.68 152.53 3.39 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 5.6799999999999997 109.273 -179.531 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.34 4.68 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 121.065 1.176 . . . . 5.5700000000000003 110.194 179.327 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.958 -1.468 . . . . 7.2000000000000002 109.455 -179.816 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' C' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.411 -0.589 . . . . 8.9600000000000009 109.411 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 76.8 mttt 55.05 -82.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.449 -0.782 . . . . 8.1500000000000004 109.801 -179.874 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' C' ' 319' ' ' LYS . 33.7 ttpt 58.12 69.47 1.5 Allowed Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.314 -0.866 . . . . 7.1500000000000004 109.401 -179.873 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.75 -34.59 72.63 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 121.783 1.655 . . . . 4.3499999999999996 110.846 -179.305 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -80.26 104.41 10.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.01 -1.056 . . . . 4.6299999999999999 109.924 -179.394 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -83.03 105.89 14.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.421 -0.799 . . . . 2.8500000000000001 109.45 179.609 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.46 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -71.49 153.65 50.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.822 -1.311 . . . . 1.1200000000000001 109.822 -179.921 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -60.48 126.22 26.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.204 -1.174 . . . . 2.1099999999999999 109.117 179.651 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.46 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 66.8 m-85 -95.4 153.28 17.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.197 -0.94 . . . . 0.64000000000000001 109.96 -179.704 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -140.74 137.36 33.38 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.79 -0.818 . . . . 0.48999999999999999 108.79 179.216 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.74 163.92 13.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 0.46999999999999997 109.21 179.987 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 46.6 tp -151.73 132.85 14.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 0.41999999999999998 109.887 -179.591 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.87 127.97 34.71 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.427 -0.953 . . . . 1.8100000000000001 108.427 179.077 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.59 115.63 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.42 -0.8 . . . . 0.41999999999999998 110.016 -179.444 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.465 ' HG2' HH11 ' C' ' 333' ' ' ARG . 21.6 ttt-85 -75.77 153.31 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.448 -0.783 . . . . 2.3500000000000001 109.613 179.752 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.1 134.03 2.19 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 110.24 -1.144 . . . . 0.40999999999999998 110.24 179.415 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.38 -50.18 9.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -1.135 . . . . 2.5899999999999999 109.382 179.683 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.05 -40.16 80.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.54 108.923 179.716 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.62 -45.74 91.48 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.6 -0.889 . . . . 3.3900000000000001 108.6 179.391 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -55.97 -50.1 71.73 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.631 -0.668 . . . . 0.46999999999999997 109.404 179.481 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -52.77 -42.19 64.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 110.052 -179.684 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.63 -49.07 76.65 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.246 -0.909 . . . . 0.60999999999999999 110.411 -179.083 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.5 -46.25 90.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.025 -1.047 . . . . 0.33000000000000002 109.329 -179.638 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.98 -45.28 64.41 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.177 -0.952 . . . . 3.2799999999999998 109.444 179.733 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.93 -47.7 85.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.274 -0.891 . . . . 1.78 109.84 -179.796 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.1 mt -61.38 -41.87 97.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.38 109.271 -179.964 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -58.8 -50.36 74.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.208 -0.933 . . . . 1.2 109.259 179.629 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.37 -33.59 75.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.424 -0.797 . . . . 2.1200000000000001 109.601 -179.972 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.26000000000000001 109.667 -179.732 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.04 -43.79 98.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 109.348 179.944 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -58.98 -35.25 72.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.895 . . . . 2.0899999999999999 109.433 -179.995 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 2.2 tt -65.79 -52.52 50.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.176 -0.952 . . . . 0.75 109.216 -179.871 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.83 -35.49 76.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.37 -0.832 . . . . 2.1899999999999999 109.147 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.52 -34.28 66.87 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.533 -0.73 . . . . 1.3400000000000001 109.228 179.654 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -49.06 62.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.71999999999999997 109.608 179.981 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.68 3.92 20.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.331 -0.856 . . . . 1.8 109.813 -179.722 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.09 -80.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 1.3899999999999999 109.69 179.99 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.87 55.18 3.46 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.858 -1.297 . . . . 1.6599999999999999 109.858 -179.707 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.4 118.81 26.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.213 -1.169 . . . . 4.4500000000000002 109.2 179.772 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' C' ' 360' ' ' GLY . 16.2 mp0 -50.73 152.5 3.46 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 6.1900000000000004 109.317 -179.593 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.29 4.69 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 121.048 1.166 . . . . 5.5800000000000001 110.162 179.343 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.967 -1.463 . . . . 6.9000000000000004 109.445 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' D' ' 321' ' ' LYS . 9.2 mtmp? . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.479 -0.563 . . . . 7.3600000000000003 109.479 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 76.8 mttt 55.04 -82.89 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.467 -0.771 . . . . 7.1500000000000004 109.872 -179.913 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' D' ' 319' ' ' LYS . 33.7 ttpt 58.16 69.32 1.53 Allowed Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.218 -0.926 . . . . 6.5 109.493 -179.895 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.65 -34.58 73.72 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.791 1.66 . . . . 4.5 110.864 -179.224 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.6 mt -80.31 104.49 10.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.075 -1.016 . . . . 4.3200000000000003 109.924 -179.378 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.08 105.86 14.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.382 -0.824 . . . . 2.46 109.472 179.623 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -71.49 153.56 50.67 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.909 -1.276 . . . . 0.96999999999999997 109.909 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -60.25 126.07 26.08 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -1.128 . . . . 1.6699999999999999 109.15 179.625 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 66.3 m-85 -95.32 153.21 17.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.148 -0.97 . . . . 0.60999999999999999 110.033 -179.746 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -140.7 137.2 33.31 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.943 -0.762 . . . . 0.56000000000000005 108.943 179.232 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -94.68 164.0 13.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.205 -179.912 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 46.3 tp -151.75 132.82 14.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.251 -0.905 . . . . 0.34999999999999998 109.889 -179.609 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -85.8 127.99 34.7 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.455 -0.943 . . . . 1.3700000000000001 108.455 179.019 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.5 mt -123.61 115.6 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.431 -0.793 . . . . 0.47999999999999998 110.033 -179.481 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.472 ' HG2' HH11 ' D' ' 333' ' ' ARG . 21.4 ttt-85 -75.8 153.37 36.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 2.0800000000000001 109.648 179.747 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.16 133.98 2.2 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.263 -1.135 . . . . 0.40000000000000002 110.263 179.472 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -81.44 -50.12 9.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -1.147 . . . . 2.6400000000000001 109.392 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.13 -40.02 80.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 2.2200000000000002 108.935 179.663 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.76 -45.59 91.99 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.589 -0.893 . . . . 2.7400000000000002 108.589 179.35 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.15 -50.03 72.28 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.69 -0.631 . . . . 0.42999999999999999 109.33 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -52.82 -42.25 64.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 110.031 -179.625 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -62.49 -49.12 76.63 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.226 -0.922 . . . . 0.42999999999999999 110.392 -179.128 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.51 -46.19 91.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.126 -0.984 . . . . 0.27000000000000002 109.337 -179.581 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -52.05 -45.26 64.64 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.197 -0.94 . . . . 2.4500000000000002 109.424 179.726 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.85 -47.75 84.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 1.75 109.857 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.44 -41.69 97.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.176 -0.953 . . . . 0.31 109.367 -179.924 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -58.83 -50.47 73.87 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.218 -0.926 . . . . 1.22 109.199 179.511 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -62.27 -33.81 75.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 1.73 109.592 -179.963 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.73 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.57 -50.93 71.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.38 -0.825 . . . . 0.28000000000000003 109.748 -179.733 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.08 -43.87 97.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.31 109.356 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.96 -35.18 72.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 1.9099999999999999 109.499 179.971 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.2 tt -65.84 -52.51 49.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 109.289 -179.925 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.74 -35.53 76.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 1.5700000000000001 109.111 179.916 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.48 -34.42 66.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.458 -0.776 . . . . 1.4399999999999999 109.206 179.655 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.29 -48.97 63.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.187 -0.946 . . . . 0.64000000000000001 109.712 179.985 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -80.75 4.04 20.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 1.21 109.829 -179.801 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.21 -80.96 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.111 -0.993 . . . . 1.22 109.64 -179.988 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.86 55.13 3.45 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.841 -1.304 . . . . 1.5 109.841 -179.68 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -86.42 118.85 26.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.151 -1.205 . . . . 4.1799999999999997 109.239 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' D' ' 360' ' ' GLY . 16.1 mp0 -50.71 152.55 3.4 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.33 -0.857 . . . . 5.6699999999999999 109.261 -179.534 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.37 4.67 0.23 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.123 1.215 . . . . 5.6500000000000004 110.127 179.329 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.413 0 CA-C-O 117.931 -1.483 . . . . 7.2699999999999996 109.417 -179.835 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.507 -0.553 . . . . 7.3300000000000001 109.507 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 41.1 tttp 60.74 -75.86 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.57 -0.706 . . . . 7.21 109.835 179.944 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 319' ' ' LYS . 51.6 tttp 60.92 65.72 1.92 Allowed Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.468 -0.77 . . . . 6.4699999999999998 109.904 -179.829 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.33 168.05 13.51 Favored 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.357 1.371 . . . . 4.5300000000000002 109.365 179.672 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.3 94.75 6.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.062 -1.024 . . . . 4.3499999999999996 109.362 179.876 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -84.7 -158.07 0.33 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.524 -0.735 . . . . 2.48 109.46 179.854 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.34 159.45 53.03 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.396 -1.482 . . . . 0.97999999999999998 109.396 179.739 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -58.63 137.08 57.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -1.154 . . . . 1.7 109.573 -179.984 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -92.84 156.01 17.25 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.232 -0.917 . . . . 0.60999999999999999 109.471 179.826 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.74 -173.57 3.6 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.362 -0.836 . . . . 0.57999999999999996 109.601 -179.697 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.3 p -149.01 148.33 29.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.409 -0.96 . . . . 0.41999999999999998 108.409 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 57.2 tp -141.11 133.43 28.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.32 -0.862 . . . . 0.35999999999999999 109.704 -178.572 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -85.06 132.02 34.38 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.411 -0.959 . . . . 1.3700000000000001 108.411 179.043 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 77.9 mt -123.27 109.19 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.457 -0.777 . . . . 0.46999999999999997 109.41 -179.468 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.27 22.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.428 -0.795 . . . . 2.1000000000000001 109.372 179.635 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.62 132.49 4.93 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 109.691 -1.364 . . . . 0.41999999999999998 109.691 179.843 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -83.18 -44.3 15.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.403 -1.057 . . . . 2.6800000000000002 109.335 179.728 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.08 -46.24 88.77 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.298 -0.876 . . . . 2.2200000000000002 109.511 -179.94 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 17.7 ttm-85 -65.99 -38.13 87.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.1 -1.0 . . . . 2.77 109.7 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.15 -54.14 40.15 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.39 -0.818 . . . . 0.42999999999999999 109.359 -179.841 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.63 -38.04 63.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.323 -0.861 . . . . 1.6599999999999999 109.856 -179.932 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.28 -49.71 72.97 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.267 -0.895 . . . . 0.44 110.282 -179.112 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.29 -43.74 95.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.084 -1.01 . . . . 0.28999999999999998 109.133 -179.81 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.1 -43.6 61.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.209 -0.932 . . . . 2.4399999999999999 109.579 179.873 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -60.77 -45.45 94.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.175 -0.953 . . . . 1.74 109.767 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.3 -45.73 93.25 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.328 -0.857 . . . . 0.29999999999999999 109.471 -179.961 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.43 -48.33 82.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.187 -0.946 . . . . 1.22 109.587 179.996 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.13 -38.65 92.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.924 . . . . 1.72 109.873 -179.686 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.61 -56.1 26.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.271 -0.893 . . . . 0.27000000000000002 109.994 -179.569 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.28 -40.68 95.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.28999999999999998 109.457 -179.732 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.7 -36.32 80.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.192 -0.943 . . . . 1.9099999999999999 109.346 179.445 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 63.7 tp -62.99 -50.28 71.37 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.344 -0.848 . . . . 0.40999999999999998 109.132 179.967 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.63 -49.53 72.9 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.372 -0.83 . . . . 1.5600000000000001 108.909 179.677 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.81 -32.47 70.67 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 1.4299999999999999 109.727 179.76 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.61 82.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.66000000000000003 110.122 -179.452 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.63 -9.17 59.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.129 -0.982 . . . . 1.1799999999999999 109.815 -179.648 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -7.4 50.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 1.23 109.52 179.86 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -5.93 83.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.882 -1.287 . . . . 1.54 109.882 -179.834 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 357' ' ' LYS . 3.8 mptp? -86.19 102.18 13.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.048 -1.266 . . . . 4.1799999999999997 109.355 -179.688 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -51.73 154.14 3.71 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 5.71 108.644 179.72 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.07 101.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 121.06 1.173 . . . . 5.6100000000000003 109.764 179.512 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 117.997 -1.446 . . . . 7.2400000000000002 109.541 -179.998 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' B' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.464 -0.569 . . . . 7.3399999999999999 109.464 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.8 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.492 -0.755 . . . . 7.1699999999999999 109.81 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' B' ' 319' ' ' LYS . 51.5 tttp 60.88 65.69 1.95 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.47 -0.769 . . . . 6.4400000000000004 109.951 -179.806 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.31 168.07 13.44 Favored 'Trans proline' 0 C--N 1.318 -1.044 0 C-N-CA 121.322 1.348 . . . . 4.54 109.345 179.754 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.39 94.83 6.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 4.3200000000000003 109.386 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -84.72 -157.99 0.32 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.468 -0.77 . . . . 2.4700000000000002 109.443 179.875 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.44 159.44 53.08 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.386 -1.486 . . . . 0.94999999999999996 109.386 179.741 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.59 137.12 57.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -1.121 . . . . 1.6100000000000001 109.563 -179.967 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.9 155.99 17.23 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.305 -0.872 . . . . 0.56999999999999995 109.375 179.865 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -138.66 -173.56 3.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.321 -0.862 . . . . 0.53000000000000003 109.63 -179.738 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.01 148.38 29.67 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.373 -0.973 . . . . 0.38 108.373 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.1 133.39 28.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.291 -0.881 . . . . 0.35999999999999999 109.76 -178.628 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.02 132.02 34.39 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.443 -0.947 . . . . 1.3600000000000001 108.443 179.012 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 78.5 mt -123.23 109.19 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.493 -0.754 . . . . 0.48999999999999999 109.407 -179.482 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.45 122.35 22.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.497 -0.752 . . . . 2.1000000000000001 109.304 179.642 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.6 132.5 4.94 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 109.752 -1.339 . . . . 0.44 109.752 179.795 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -83.23 -44.29 15.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.396 -1.061 . . . . 2.7200000000000002 109.369 179.769 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.14 -46.15 89.11 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.354 -0.841 . . . . 2.21 109.499 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.464 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 17.8 ttm-85 -66.13 -38.06 87.24 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.115 -0.991 . . . . 2.79 109.632 -179.764 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -53.18 -54.09 40.99 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.391 -0.818 . . . . 0.45000000000000001 109.365 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.73 -38.05 63.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.6799999999999999 109.814 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.15 -49.82 72.84 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.261 -0.9 . . . . 0.42999999999999999 110.332 -179.207 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.22 -43.73 95.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.063 -1.023 . . . . 0.28000000000000003 109.136 -179.798 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -51.15 -43.54 61.25 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.312 -0.868 . . . . 2.52 109.6 179.89 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.77 -45.45 94.3 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 1.75 109.746 -179.809 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.25 -45.83 92.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.33 -0.856 . . . . 0.31 109.395 -179.925 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -59.38 -48.3 82.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.218 -0.926 . . . . 1.21 109.61 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.19 -38.7 92.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 1.6899999999999999 109.827 -179.677 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.739 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.57 -56.12 26.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.27000000000000002 109.97 -179.543 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.19 -40.73 95.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.911 . . . . 0.29999999999999999 109.502 -179.755 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.73 -36.3 80.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.316 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.99 -50.39 70.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.40000000000000002 109.027 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.57 -49.55 72.98 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.422 -0.798 . . . . 1.5900000000000001 108.939 179.701 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.86 -32.45 70.71 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.59 -0.694 . . . . 1.4299999999999999 109.691 179.816 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.63 -37.59 82.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.65000000000000002 110.094 -179.443 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.58 -9.32 59.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.198 -0.938 . . . . 1.1899999999999999 109.815 -179.666 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.84 -7.36 50.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 1.22 109.474 179.885 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -5.94 83.93 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.87 -1.292 . . . . 1.53 109.87 -179.871 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' B' ' 357' ' ' LYS . 3.8 mptp? -86.15 102.17 13.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.116 -1.226 . . . . 4.21 109.473 -179.806 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -51.69 154.17 3.63 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 5.6799999999999997 108.63 179.757 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.13 101.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 121.021 1.147 . . . . 5.5700000000000003 109.75 179.544 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.529 -1.428 . . . . 7.2000000000000002 109.529 -179.994 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' C' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.443 -0.577 . . . . 8.9600000000000009 109.443 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.8 -75.82 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.424 -0.797 . . . . 8.1500000000000004 109.823 179.887 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' C' ' 319' ' ' LYS . 51.7 tttp 60.85 65.74 1.94 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.811 . . . . 7.1500000000000004 109.913 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.33 168.09 13.44 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 C-N-CA 121.421 1.414 . . . . 4.3499999999999996 109.301 179.74 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 22.5 mt -80.45 94.85 6.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.014 -1.054 . . . . 4.6299999999999999 109.323 179.855 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.403 ' OD2' ' OH ' ' C' ' 327' ' ' TYR . 11.7 m-20 -84.71 -158.08 0.33 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.548 -0.72 . . . . 2.8500000000000001 109.447 179.856 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.41 159.38 53.08 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.405 -1.478 . . . . 1.1200000000000001 109.405 179.709 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.6 137.23 57.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -1.131 . . . . 2.1099999999999999 109.531 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.403 ' OH ' ' OD2' ' C' ' 324' ' ' ASP . 77.2 m-85 -92.95 155.97 17.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -0.927 . . . . 0.64000000000000001 109.423 179.82 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.76 -173.67 3.62 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.387 -0.821 . . . . 0.48999999999999999 109.542 -179.696 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -148.94 148.39 29.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.39 -0.967 . . . . 0.46999999999999997 108.39 179.979 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 57.1 tp -141.11 133.3 27.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.241 -0.912 . . . . 0.41999999999999998 109.79 -178.55 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -84.96 131.97 34.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.438 -0.949 . . . . 1.8100000000000001 108.438 179.074 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 78.6 mt -123.25 109.29 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.53 -0.731 . . . . 0.41999999999999998 109.379 -179.499 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.48 122.26 22.77 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.514 -0.741 . . . . 2.3500000000000001 109.32 179.67 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.57 132.57 4.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 109.719 -1.352 . . . . 0.40999999999999998 109.719 179.81 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.568 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -83.22 -44.35 15.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -1.084 . . . . 2.5899999999999999 109.31 179.772 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.01 -46.19 88.82 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.361 -0.837 . . . . 2.54 109.583 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 17.9 ttm-85 -66.07 -38.12 87.51 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.127 -0.983 . . . . 3.3900000000000001 109.692 -179.809 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.14 -54.09 40.89 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.385 -0.822 . . . . 0.46999999999999997 109.408 -179.873 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -53.76 -37.97 63.95 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 1.6599999999999999 109.834 -179.928 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.18 -49.87 72.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.269 -0.894 . . . . 0.60999999999999999 110.333 -179.273 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -60.2 -43.75 95.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.33000000000000002 109.177 -179.82 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.14 -43.51 61.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.205 -0.934 . . . . 3.2799999999999998 109.574 179.884 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -60.8 -45.44 94.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.183 -0.948 . . . . 1.78 109.732 -179.785 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.4 -45.71 93.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.38 109.365 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -59.49 -48.22 82.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.244 -0.91 . . . . 1.2 109.582 -179.976 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.17 -38.83 92.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 2.1200000000000001 109.87 -179.751 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.4 -56.14 26.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.247 -0.908 . . . . 0.26000000000000001 109.992 -179.603 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.24 -40.72 95.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.262 -0.899 . . . . 0.40000000000000002 109.444 -179.724 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.74 -36.27 80.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.34 179.518 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.91 -50.35 71.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.343 -0.848 . . . . 0.75 109.181 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.6 -49.52 73.01 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.437 -0.789 . . . . 2.1899999999999999 108.951 179.726 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.79 -32.52 70.7 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.584 -0.698 . . . . 1.3400000000000001 109.686 179.808 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.63 82.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 0.71999999999999997 110.082 -179.432 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.62 -9.26 59.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.173 -0.955 . . . . 1.8 109.755 -179.571 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.85 -7.36 50.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 1.3899999999999999 109.516 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 -5.97 84.03 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.824 -1.31 . . . . 1.6599999999999999 109.824 -179.877 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' C' ' 357' ' ' LYS . 3.8 mptp? -86.16 102.14 13.63 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.098 -1.236 . . . . 4.4500000000000002 109.422 -179.735 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -51.62 154.07 3.6 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.894 . . . . 6.1900000000000004 108.654 179.649 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -54.99 101.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.322 -0.823 0 C-N-CA 121.048 1.165 . . . . 5.5800000000000001 109.778 179.451 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.967 -1.463 . . . . 6.9000000000000004 109.551 -179.979 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' D' ' 321' ' ' LYS . 58.1 mttp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.465 -0.568 . . . . 7.3600000000000003 109.465 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 41.2 tttp 60.82 -75.86 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.48 -0.763 . . . . 7.1500000000000004 109.777 179.882 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' D' ' 319' ' ' LYS . 51.5 tttp 60.82 65.67 1.97 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.417 -0.802 . . . . 6.5 109.99 -179.777 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.28 168.05 13.42 Favored 'Trans proline' 0 C--N 1.32 -0.956 0 C-N-CA 121.369 1.379 . . . . 4.5 109.321 179.728 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.34 94.73 6.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.988 -1.07 . . . . 4.3200000000000003 109.405 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -84.6 -158.07 0.32 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.457 -0.777 . . . . 2.46 109.497 179.831 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.41 159.49 53.05 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.324 -1.51 . . . . 0.96999999999999997 109.324 179.748 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.63 137.12 57.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -1.155 . . . . 1.6699999999999999 109.536 -179.982 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -92.9 156.11 17.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.297 -0.877 . . . . 0.60999999999999999 109.418 179.819 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -138.81 -173.58 3.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.64 -179.711 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.2 p -149.03 148.32 29.58 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.391 -0.966 . . . . 0.42999999999999999 108.391 179.947 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 57.0 tp -141.07 133.4 28.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.26 -0.9 . . . . 0.34999999999999998 109.749 -178.549 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -85.04 131.96 34.39 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.417 -0.957 . . . . 1.3700000000000001 108.417 179.081 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 78.3 mt -123.23 109.2 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.424 -0.798 . . . . 0.47999999999999998 109.362 -179.431 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -74.53 122.28 22.85 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.475 -0.766 . . . . 2.0800000000000001 109.355 179.611 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 116.64 132.56 4.94 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 109.716 -1.353 . . . . 0.40000000000000002 109.716 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.576 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -83.28 -44.32 15.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -1.08 . . . . 2.6400000000000001 109.296 179.829 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.03 -46.14 88.97 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.602 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.457 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 17.8 ttm-85 -66.12 -38.12 87.38 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.095 -1.003 . . . . 2.7400000000000002 109.638 -179.804 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.18 -54.08 41.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.443 -179.874 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.68 -37.98 63.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.6899999999999999 109.852 -179.991 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.27 -49.77 72.75 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 110.305 -179.158 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -60.23 -43.72 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.11 -0.994 . . . . 0.27000000000000002 109.119 -179.819 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -51.24 -43.39 61.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.212 -0.93 . . . . 2.4500000000000002 109.565 179.94 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -60.82 -45.5 94.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.75 109.698 -179.833 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.26 -45.87 92.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.202 -0.936 . . . . 0.31 109.35 -179.896 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.38 -48.37 81.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.858 . . . . 1.22 109.584 -179.933 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -63.13 -38.67 92.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 1.73 109.877 -179.716 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.6 -56.08 26.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.28000000000000003 109.987 -179.589 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.3 -40.67 95.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 0.31 109.461 -179.709 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -61.74 -36.28 80.55 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.264 179.487 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.96 -50.39 70.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.42999999999999999 109.12 179.908 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -63.55 -49.54 73.03 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.428 -0.795 . . . . 1.5700000000000001 108.974 179.653 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.82 -32.51 70.72 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.621 -0.674 . . . . 1.4399999999999999 109.671 179.799 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.66 82.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.325 -0.859 . . . . 0.64000000000000001 110.086 -179.436 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.59 -9.2 59.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.128 -0.982 . . . . 1.21 109.808 -179.634 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.87 -7.4 50.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.128 -0.982 . . . . 1.22 109.497 179.85 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -5.86 84.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.857 -1.297 . . . . 1.5 109.857 -179.848 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' D' ' 357' ' ' LYS . 3.8 mptp? -86.23 102.24 13.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.126 -1.22 . . . . 4.1799999999999997 109.382 -179.719 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.74 154.08 3.77 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.594 -0.891 . . . . 5.6699999999999999 108.594 179.72 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.02 101.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.039 1.16 . . . . 5.6500000000000004 109.752 179.482 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.512 -1.435 . . . . 7.2699999999999996 109.512 -179.98 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.479 -0.563 . . . . 7.3300000000000001 109.479 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 319' ' ' LYS . 95.7 mttt 57.99 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.545 0.688 . . . . 7.21 110.051 -179.893 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.88 73.13 1.01 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.132 -0.98 . . . . 6.4699999999999998 109.529 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -60.96 -72.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.415 1.41 . . . . 4.5300000000000002 109.737 -179.911 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.3 mt -77.27 107.6 9.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 4.3499999999999996 108.888 179.819 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.36 -130.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.485 -0.759 . . . . 2.48 109.795 -179.525 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.91 170.82 36.12 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.692 -1.363 . . . . 0.97999999999999998 109.692 -179.667 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -59.13 132.5 54.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -1.123 . . . . 1.7 109.593 -179.859 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -94.27 157.52 16.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.271 -0.893 . . . . 0.60999999999999999 109.65 179.872 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.5 -168.67 2.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.477 -0.765 . . . . 0.57999999999999996 109.289 -179.813 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.61 148.94 28.57 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.638 -0.875 . . . . 0.41999999999999998 108.638 179.928 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -142.8 135.06 27.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.254 -0.904 . . . . 0.35999999999999999 109.739 -178.722 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.94 130.1 34.69 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.433 -0.951 . . . . 1.3700000000000001 108.433 179.157 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.35 110.73 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.48 -0.763 . . . . 0.46999999999999997 109.246 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.66 145.65 43.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.596 -0.69 . . . . 2.1000000000000001 110.06 -179.662 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.09 127.0 2.92 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.135 -1.186 . . . . 0.41999999999999998 110.135 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.69 -40.96 69.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.322 -1.105 . . . . 2.6800000000000002 109.211 179.468 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -58.35 -47.44 83.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.473 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.55 -40.56 97.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.245 -0.909 . . . . 2.77 109.499 179.931 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.32 -54.57 41.9 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.516 -0.74 . . . . 0.42999999999999999 109.911 -179.765 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.61 -42.15 64.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 1.6599999999999999 109.921 -179.623 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.35 -50.09 71.32 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.21 -0.931 . . . . 0.44 110.419 -179.305 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.1 -45.01 96.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.008 . . . . 0.28999999999999998 109.084 -179.73 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 346' ' ' GLU . 13.5 ttm180 -51.95 -43.23 63.4 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.333 -0.854 . . . . 2.4399999999999999 109.743 179.835 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -61.31 -44.32 97.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.28 -0.888 . . . . 1.74 110.135 -179.395 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.75 -40.81 93.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.166 -0.959 . . . . 0.29999999999999999 109.396 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.97 -53.98 52.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 1.22 109.661 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 342' ' ' ARG . 2.0 mp0 -62.77 -38.1 89.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.242 -0.912 . . . . 1.72 109.612 -179.725 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.88 53.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 109.831 -179.672 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -62.08 -45.4 93.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.889 . . . . 0.28999999999999998 109.406 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.35 -34.27 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 1.9099999999999999 109.303 179.789 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.86 -45.04 91.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.309 -0.87 . . . . 0.40999999999999998 109.273 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -63.76 -48.38 77.19 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.383 -0.823 . . . . 1.5600000000000001 108.832 179.306 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.8 -31.68 64.93 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.694 -0.628 . . . . 1.4299999999999999 109.488 179.762 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.41 79.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 0.66000000000000003 109.662 -179.837 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 52.0 mt-30 -81.0 -2.89 49.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 1.1799999999999999 109.571 -179.885 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -7.83 46.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 1.23 109.268 -179.985 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -6.98 82.67 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.287 -1.525 . . . . 1.54 109.287 179.668 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.23 156.34 21.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -1.114 . . . . 4.1799999999999997 109.563 -179.906 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -51.14 153.84 3.07 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 5.71 109.036 -179.802 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.05 141.28 87.04 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 121.145 1.23 . . . . 5.6100000000000003 109.908 179.356 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.457 -1.457 . . . . 7.2400000000000002 109.457 179.887 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.488 -0.56 . . . . 7.3399999999999999 109.488 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 319' ' ' LYS . 95.7 mttt 58.09 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.491 0.662 . . . . 7.1699999999999999 110.06 -179.921 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.8 73.19 1.0 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 6.4400000000000004 109.583 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -61.07 -72.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.32 -0.973 0 C-N-CA 121.394 1.396 . . . . 4.54 109.691 -179.84 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.3 mt -77.25 107.66 9.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.248 -0.908 . . . . 4.3200000000000003 108.889 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.41 -130.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.383 -0.823 . . . . 2.4700000000000002 109.759 -179.534 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.56 170.86 34.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.752 -1.339 . . . . 0.94999999999999996 109.752 -179.753 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.23 132.56 54.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -1.115 . . . . 1.6100000000000001 109.619 -179.977 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.29 157.59 15.97 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.255 -0.903 . . . . 0.56999999999999995 109.595 179.909 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.58 -168.73 2.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.46 -0.775 . . . . 0.53000000000000003 109.246 -179.809 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.59 149.1 28.78 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.932 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -142.91 134.98 27.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.295 -0.878 . . . . 0.35999999999999999 109.703 -178.646 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.89 130.06 34.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.493 -0.929 . . . . 1.3600000000000001 108.493 179.123 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.1 mt -123.32 110.69 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.403 -0.811 . . . . 0.48999999999999999 109.325 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.52 145.61 43.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 2.1000000000000001 110.086 -179.656 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 127.0 2.9 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.21 -1.156 . . . . 0.44 110.21 179.597 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.78 -40.93 68.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -1.087 . . . . 2.7200000000000002 109.187 179.585 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.28 -47.4 83.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.278 -0.889 . . . . 2.21 109.537 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.58 -40.61 97.42 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.272 -0.892 . . . . 2.79 109.492 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -55.27 -54.68 40.48 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 0.45000000000000001 109.86 -179.705 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.49 -42.11 63.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 1.6799999999999999 109.917 -179.57 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.46 -50.17 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.334 -0.854 . . . . 0.42999999999999999 110.314 -179.237 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.02 -44.97 96.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.01 -1.056 . . . . 0.28000000000000003 109.139 -179.727 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' B' ' 346' ' ' GLU . 13.5 ttm180 -51.99 -43.2 63.49 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.31 -0.869 . . . . 2.52 109.756 179.88 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.26 -44.37 97.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.208 -0.933 . . . . 1.75 110.204 -179.497 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 67.8 mt -60.66 -40.85 93.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 0.31 109.344 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -58.98 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 1.21 109.629 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' B' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.17 89.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 1.6899999999999999 109.639 -179.703 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.21 -53.92 52.85 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.27000000000000002 109.834 -179.693 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.96 -45.61 92.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -0.948 . . . . 0.29999999999999999 109.353 -179.861 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.28 -34.29 72.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.3 -0.875 . . . . 1.9299999999999999 109.263 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.88 -45.18 90.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.336 -0.853 . . . . 0.40000000000000002 109.24 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.6 -48.38 77.58 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.5900000000000001 108.814 179.357 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.75 -31.74 64.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.653 -0.655 . . . . 1.4299999999999999 109.521 179.788 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.38 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.892 . . . . 0.65000000000000002 109.613 -179.845 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 51.9 mt-30 -81.0 -2.92 49.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.357 -0.839 . . . . 1.1899999999999999 109.567 -179.862 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -7.88 47.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.198 -0.939 . . . . 1.22 109.366 179.955 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -7.05 82.86 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.289 -1.525 . . . . 1.53 109.289 179.649 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.23 156.34 21.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -1.133 . . . . 4.21 109.579 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.11 153.74 3.08 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 5.6799999999999997 109.088 -179.817 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.02 141.29 86.78 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.096 1.197 . . . . 5.5700000000000003 109.961 179.365 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.992 -1.449 . . . . 7.2000000000000002 109.491 179.918 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.539 -0.541 . . . . 8.9600000000000009 109.539 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 319' ' ' LYS . 95.7 mttt 58.04 133.02 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.524 0.678 . . . . 8.1500000000000004 110.061 -179.947 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 51.88 73.11 1.02 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.975 . . . . 7.1500000000000004 109.584 179.897 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -60.89 -72.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.547 1.498 . . . . 4.3499999999999996 109.716 -179.907 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -77.33 107.55 9.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 4.6299999999999999 108.915 179.852 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -80.2 -130.43 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.447 -0.783 . . . . 2.8500000000000001 109.85 -179.572 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.72 170.92 35.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.683 -1.367 . . . . 1.1200000000000001 109.683 -179.734 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.26 132.57 54.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 2.1099999999999999 109.575 -179.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -94.26 157.48 16.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.225 -0.922 . . . . 0.64000000000000001 109.628 179.884 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.52 -168.69 2.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.397 -0.815 . . . . 0.48999999999999999 109.325 -179.89 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.1 p -151.63 148.9 28.51 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.595 -0.891 . . . . 0.46999999999999997 108.595 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.7 tp -142.77 134.98 27.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.41999999999999998 109.737 -178.648 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -84.86 130.01 34.72 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.509 -0.922 . . . . 1.8100000000000001 108.509 179.112 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.39 110.83 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.459 -0.775 . . . . 0.41999999999999998 109.213 -179.668 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.73 145.67 42.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.68 -0.638 . . . . 2.3500000000000001 109.99 -179.633 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.06 127.11 2.94 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.106 -1.198 . . . . 0.40999999999999998 110.106 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -71.86 -40.92 68.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.43 -1.041 . . . . 2.5899999999999999 109.158 179.549 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.31 -47.45 83.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.85 . . . . 2.54 109.439 -179.987 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -62.57 -40.64 97.52 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.27 -0.894 . . . . 3.3900000000000001 109.415 -179.978 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.29 -54.57 41.82 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.483 -0.761 . . . . 0.46999999999999997 109.916 -179.69 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -52.57 -42.15 64.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.922 -179.634 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -50.11 71.21 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.286 -0.884 . . . . 0.60999999999999999 110.385 -179.295 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.1 -45.04 96.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.138 -0.976 . . . . 0.33000000000000002 109.037 -179.703 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.412 ' O ' ' OE1' ' C' ' 346' ' ' GLU . 13.5 ttm180 -51.98 -43.22 63.49 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.313 -0.867 . . . . 3.2799999999999998 109.755 179.92 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.2 -44.34 97.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.136 -0.977 . . . . 1.78 110.185 -179.505 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.85 -40.68 93.8 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.38 109.36 -179.769 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -59.17 -53.89 53.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 1.2 109.597 179.853 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.412 ' OE1' ' O ' ' C' ' 342' ' ' ARG . 2.0 mp0 -62.73 -38.14 89.31 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 2.1200000000000001 109.661 -179.784 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.79 54.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.26000000000000001 109.801 -179.616 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.04 -45.65 92.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 0.40000000000000002 109.335 -179.881 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.2 -34.34 72.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.306 179.849 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.78 -45.18 90.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 0.75 109.303 179.946 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.64 -48.37 77.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.259 -0.901 . . . . 2.1899999999999999 108.856 179.339 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.73 -31.82 64.91 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.671 -0.643 . . . . 1.3400000000000001 109.516 179.754 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.5 79.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.71999999999999997 109.666 -179.869 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 52.1 mt-30 -80.94 -2.88 49.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 1.8 109.642 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.81 46.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.199 -0.938 . . . . 1.3899999999999999 109.245 -179.979 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -6.87 82.58 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.266 -1.534 . . . . 1.6599999999999999 109.266 179.723 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.35 156.34 20.93 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.337 -1.096 . . . . 4.4500000000000002 109.524 -179.829 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -51.13 153.74 3.1 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.257 -0.902 . . . . 6.1900000000000004 109.074 -179.83 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -56.01 141.26 86.77 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 121.088 1.192 . . . . 5.5800000000000001 109.934 179.346 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.518 179.913 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 320' ' ' LYS . 65.1 mttp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.574 -0.528 . . . . 7.3600000000000003 109.574 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 319' ' ' LYS . 95.8 mttt 58.02 133.06 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.508 0.67 . . . . 7.1500000000000004 110.07 -179.938 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 51.86 73.01 1.03 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 6.5 109.651 179.883 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -60.92 -72.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.993 0 C-N-CA 121.482 1.455 . . . . 4.5 109.648 -179.782 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.0 mt -77.29 107.69 9.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.259 -0.901 . . . . 4.3200000000000003 108.935 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -80.37 -130.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.488 -0.758 . . . . 2.46 109.816 -179.498 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.89 170.88 35.93 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.96999999999999997 109.667 -179.722 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -59.13 132.54 54.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -1.153 . . . . 1.6699999999999999 109.631 -179.896 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.27 157.43 16.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.259 -0.9 . . . . 0.60999999999999999 109.61 179.878 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -136.48 -168.72 2.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.456 -0.777 . . . . 0.56000000000000005 109.318 -179.867 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -151.62 149.0 28.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.283 -0.885 . . . . 0.42999999999999999 108.62 179.93 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -142.81 134.94 27.27 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.343 -0.848 . . . . 0.34999999999999998 109.735 -178.62 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -84.85 130.03 34.72 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.596 -0.89 . . . . 1.3700000000000001 108.596 179.084 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.37 110.69 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.5 -0.75 . . . . 0.47999999999999998 109.25 -179.555 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -74.62 145.6 43.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.649 -0.657 . . . . 2.0800000000000001 109.99 -179.607 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.15 127.08 2.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.083 -1.207 . . . . 0.40000000000000002 110.083 179.519 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.83 -40.95 68.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.369 -1.077 . . . . 2.6400000000000001 109.162 179.477 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -58.34 -47.41 83.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.404 -0.81 . . . . 2.2200000000000002 109.492 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -62.61 -40.59 97.43 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.24 -0.913 . . . . 2.7400000000000002 109.41 -179.996 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -55.31 -54.54 42.22 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.53 -0.731 . . . . 0.42999999999999999 109.94 -179.711 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -52.53 -42.1 64.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.944 -179.702 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.5 -50.07 71.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.214 -0.929 . . . . 0.42999999999999999 110.342 -179.218 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.08 -45.02 96.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.006 . . . . 0.27000000000000002 109.048 -179.687 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' D' ' 346' ' ' GLU . 13.5 ttm180 -52.0 -43.29 63.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.196 -0.94 . . . . 2.4500000000000002 109.714 179.931 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -61.06 -44.42 97.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.18 -0.95 . . . . 1.75 110.259 -179.515 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.8 -40.71 93.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.065 -1.022 . . . . 0.31 109.374 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -59.05 -53.93 52.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.22 109.661 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' D' ' 342' ' ' ARG . 2.0 mp0 -62.75 -38.12 89.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.73 109.614 -179.726 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.7 55.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.28000000000000003 109.855 -179.628 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.06 -45.44 93.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.239 -0.913 . . . . 0.31 109.392 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.4 -34.25 72.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.286 179.855 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.91 -45.08 90.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.243 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -63.74 -48.37 77.28 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.318 -0.864 . . . . 1.5700000000000001 108.758 179.401 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.72 -31.8 64.87 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.727 -0.608 . . . . 1.4399999999999999 109.463 179.757 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -44.43 79.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 0.64000000000000001 109.653 -179.811 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.567 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 52.1 mt-30 -80.98 -2.87 49.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 1.21 109.632 -179.927 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -7.87 47.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.161 -0.962 . . . . 1.22 109.261 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.54 -6.96 82.8 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.232 -1.547 . . . . 1.5 109.232 179.701 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -85.27 156.38 20.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 4.1799999999999997 109.544 -179.842 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -51.09 153.81 3.01 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.89 . . . . 5.6699999999999999 109.042 -179.838 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -56.21 141.25 88.22 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 121.145 1.23 . . . . 5.6500000000000004 109.912 179.397 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.5 -1.44 . . . . 7.2699999999999996 109.5 179.972 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.331 -0.618 . . . . 7.3300000000000001 109.331 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 56.56 17.34 2.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 7.21 109.748 179.939 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 323' ' ' LEU . 72.7 mttt 53.81 80.25 0.3 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.127 -0.983 . . . . 6.4699999999999998 109.391 179.813 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.36 28.49 0.11 Allowed 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 121.595 1.53 . . . . 4.5300000000000002 110.787 -179.397 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 321' ' ' LYS . 17.3 mt -79.02 127.85 32.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.134 . . . . 4.3499999999999996 108.865 179.531 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.2 98.59 7.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.101 -0.999 . . . . 2.48 110.36 -179.269 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -73.71 163.13 54.67 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.042 -1.623 . . . . 0.97999999999999998 109.042 179.022 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.93 122.76 16.26 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.958 -1.319 . . . . 1.7 109.521 179.632 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 79.2 m-85 -98.9 152.5 19.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.182 -0.949 . . . . 0.60999999999999999 110.153 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -141.49 137.3 31.99 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.722 -0.844 . . . . 0.57999999999999996 108.722 178.92 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 42.5 p -93.72 163.76 13.41 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.353 -0.842 . . . . 0.41999999999999998 109.119 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.24 130.78 14.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.971 . . . . 0.35999999999999999 110.038 -179.209 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.51 34.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.651 -0.87 . . . . 1.3700000000000001 108.651 179.377 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.28 115.63 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 109.706 -179.377 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.26 156.95 33.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.447 -0.783 . . . . 2.1000000000000001 109.777 179.675 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.8 138.9 2.29 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.348 -1.101 . . . . 0.41999999999999998 110.348 179.331 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.42 -48.93 9.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -1.065 . . . . 2.6800000000000002 109.395 179.69 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.08 -39.88 79.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -0.92 . . . . 2.2200000000000002 109.101 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.94 -43.05 99.21 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.416 -0.802 . . . . 2.77 109.386 179.829 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.52 -56.0 25.31 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.544 -0.723 . . . . 0.42999999999999999 109.863 -179.808 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.25 -38.61 41.63 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.224 -0.923 . . . . 1.6599999999999999 109.917 -179.565 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.3 -53.98 40.41 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.126 -0.984 . . . . 0.44 110.476 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.56 -43.26 99.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.017 -1.052 . . . . 0.28999999999999998 109.187 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.67 -44.5 63.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.196 -0.94 . . . . 2.4399999999999999 109.208 179.454 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.9 -43.95 97.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.74 109.865 -179.874 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.78 -40.84 94.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 0.29999999999999999 109.242 -179.96 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.41 -54.77 43.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.925 . . . . 1.22 109.443 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -62.64 -33.72 75.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.892 . . . . 1.72 109.509 -179.8 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.78 -56.33 23.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.327 -0.858 . . . . 0.27000000000000002 109.847 -179.613 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.5 -45.21 95.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.28999999999999998 109.485 -179.865 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.82 -34.19 72.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 1.9099999999999999 109.462 179.965 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.433 HD11 HE22 ' B' ' 354' ' ' GLN . 44.8 tp -64.31 -50.08 69.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.40999999999999998 109.336 -179.86 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.37 -47.17 83.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.386 -0.821 . . . . 1.5600000000000001 109.051 179.867 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.8 -31.68 66.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.552 -0.718 . . . . 1.4299999999999999 109.474 179.679 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.88 78.59 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.66000000000000003 109.654 -179.831 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.514 HE22 HD11 ' B' ' 350' ' ' LEU . 72.4 mt-30 -82.09 -37.69 25.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.1799999999999999 109.239 -179.948 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.66 -5.05 30.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 1.23 109.226 179.738 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.49 1.95 86.48 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.509 -1.436 . . . . 1.54 109.509 -179.997 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.28 110.3 18.97 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.18 -1.188 . . . . 4.1799999999999997 109.395 -179.887 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 1.6 mt-10 -50.89 -53.38 48.24 Favored Pre-proline 0 N--CA 1.487 1.406 0 O-C-N 121.183 -0.948 . . . . 5.71 110.295 179.995 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.1 Cg_endo -60.63 142.76 98.72 Favored 'Trans proline' 0 C--N 1.323 -0.764 0 N-CA-C 109.685 -0.929 . . . . 5.6100000000000003 109.685 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 117.935 -1.481 . . . . 7.2400000000000002 109.546 179.914 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.315 -0.624 . . . . 7.3399999999999999 109.315 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 45.9 mttm 56.51 17.38 2.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.868 . . . . 7.1699999999999999 109.753 179.919 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' B' ' 323' ' ' LEU . 72.8 mttt 53.83 80.21 0.31 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.013 . . . . 6.4400000000000004 109.364 179.787 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.28 28.49 0.1 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 121.618 1.545 . . . . 4.54 110.834 -179.448 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' B' ' 321' ' ' LYS . 17.2 mt -79.0 127.81 32.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.878 -1.139 . . . . 4.3200000000000003 108.935 179.515 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -80.18 99.37 7.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.169 -0.957 . . . . 2.4700000000000002 110.266 -179.264 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -75.01 163.11 54.12 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.936 -1.666 . . . . 0.94999999999999996 108.936 179.212 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.67 122.61 15.75 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.966 -1.314 . . . . 1.6100000000000001 109.6 179.957 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 79.0 m-85 -98.86 152.48 19.7 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.185 -0.947 . . . . 0.56999999999999995 110.074 -179.934 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -141.57 137.31 31.87 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.694 -0.854 . . . . 0.53000000000000003 108.694 178.929 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 42.4 p -93.74 163.95 13.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.335 -0.853 . . . . 0.38 109.066 -179.912 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.38 130.74 14.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.35999999999999999 110.087 -179.228 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.15 128.43 34.66 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.642 -0.873 . . . . 1.3600000000000001 108.642 179.381 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.25 115.64 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 121.541 -0.724 . . . . 0.48999999999999999 109.706 -179.44 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -76.24 156.95 33.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.429 -0.795 . . . . 2.1000000000000001 109.812 179.633 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.81 138.79 2.27 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.349 -1.1 . . . . 0.44 110.349 179.359 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.31 -48.93 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.347 -1.09 . . . . 2.7200000000000002 109.386 179.713 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.21 -39.68 79.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 2.21 109.095 179.879 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.02 99.51 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.407 -0.808 . . . . 2.79 109.391 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.46 -56.18 23.23 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.568 -0.708 . . . . 0.45000000000000001 109.805 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.69 40.06 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 1.6799999999999999 109.964 -179.542 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -64.32 -53.91 41.47 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.162 -0.961 . . . . 0.42999999999999999 110.552 -179.266 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.65 -43.13 99.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.058 -1.026 . . . . 0.28000000000000003 109.183 -179.575 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.222 -0.924 . . . . 2.52 109.152 179.456 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.05 -43.85 98.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 1.75 109.851 -179.825 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.75 94.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.31 109.262 -179.959 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.43 -54.7 44.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 1.21 109.513 179.792 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' B' ' 346' ' ' GLU . 0.3 OUTLIER -62.69 -33.75 75.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.6899999999999999 109.48 -179.897 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.75 -56.26 24.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.27000000000000002 109.951 -179.652 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -61.49 -45.31 94.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.29999999999999999 109.462 -179.879 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.75 -34.24 72.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 1.9299999999999999 109.494 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.514 HD11 HE22 ' A' ' 354' ' ' GLN . 44.9 tp -64.21 -50.03 69.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.277 -0.89 . . . . 0.40000000000000002 109.398 -179.883 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.43 -47.13 83.19 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 1.5900000000000001 109.009 179.87 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.83 -31.76 66.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 109.454 179.693 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.91 78.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.612 -179.779 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.433 HE22 HD11 ' A' ' 350' ' ' LEU . 72.5 mt-30 -82.0 -37.64 26.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.937 . . . . 1.1899999999999999 109.378 179.968 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -5.01 30.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.345 -0.847 . . . . 1.22 109.292 179.634 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.93 86.64 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.484 -1.446 . . . . 1.53 109.484 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.26 110.31 18.97 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.214 -1.168 . . . . 4.21 109.394 -179.888 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.456 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 1.6 mt-10 -50.95 -53.38 48.56 Favored Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.258 -0.901 . . . . 5.6799999999999997 110.209 -179.942 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.1 Cg_endo -60.58 142.68 98.55 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 120.684 0.923 . . . . 5.5700000000000003 109.719 179.946 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.967 -1.463 . . . . 7.2000000000000002 109.549 179.971 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.311 -0.625 . . . . 8.9600000000000009 109.311 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 56.4 17.42 2.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.36 -0.838 . . . . 8.1500000000000004 109.815 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' C' ' 323' ' ' LEU . 72.7 mttt 53.87 80.26 0.3 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.118 -0.989 . . . . 7.1500000000000004 109.346 179.71 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.3 28.39 0.1 Allowed 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.601 1.534 . . . . 4.3499999999999996 110.798 -179.396 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' C' ' 321' ' ' LYS . 17.2 mt -79.03 127.94 32.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.935 -1.103 . . . . 4.6299999999999999 108.824 179.607 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.25 98.98 7.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.123 -0.986 . . . . 2.8500000000000001 110.235 -179.256 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.544 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -74.34 163.13 54.41 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 108.999 -1.641 . . . . 1.1200000000000001 108.999 179.063 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -61.81 122.73 16.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.957 -1.32 . . . . 2.1099999999999999 109.576 179.8 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 79.3 m-85 -98.92 152.51 19.69 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.64000000000000001 110.081 -179.936 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.56 137.3 31.86 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.721 -0.844 . . . . 0.48999999999999999 108.721 178.891 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 42.3 p -93.7 163.87 13.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.318 -0.864 . . . . 0.46999999999999997 109.105 -179.971 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.29 130.69 14.73 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.115 -0.991 . . . . 0.41999999999999998 110.113 -179.197 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -85.12 128.48 34.67 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.597 -0.89 . . . . 1.8100000000000001 108.597 179.395 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 64.1 mt -124.31 115.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 O-C-N 121.463 -0.773 . . . . 0.41999999999999998 109.752 -179.459 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.28 156.95 33.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.449 -0.782 . . . . 2.3500000000000001 109.77 179.762 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.76 138.93 2.28 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.337 -1.105 . . . . 0.40999999999999998 110.337 179.344 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -83.47 -48.84 9.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.345 -1.091 . . . . 2.5899999999999999 109.395 179.702 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.15 -39.86 79.9 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.213 -0.929 . . . . 2.54 109.134 179.776 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.89 -43.15 98.87 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 3.3900000000000001 109.329 179.822 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.51 -56.05 24.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.728 . . . . 0.46999999999999997 109.83 -179.758 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -50.11 -38.72 40.11 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.349 -0.845 . . . . 1.6599999999999999 110.006 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.29 -53.89 41.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.22 -0.925 . . . . 0.60999999999999999 110.486 -179.205 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.61 -43.21 99.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.055 -1.028 . . . . 0.33000000000000002 109.211 -179.595 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -51.83 -44.41 63.55 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 109.127 179.539 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.88 -43.92 97.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.78 109.924 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.86 -40.81 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.38 109.195 -179.907 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.37 -54.77 43.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.194 -0.941 . . . . 1.2 109.47 179.854 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' C' ' 346' ' ' GLU . 0.3 OUTLIER -62.76 -33.68 75.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.1200000000000001 109.435 -179.774 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.7 -56.3 23.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.26000000000000001 109.973 -179.678 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.5 -45.32 94.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.426 -179.86 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.74 -34.18 72.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.239 -0.913 . . . . 2.0899999999999999 109.447 -179.984 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.603 HD11 HE22 ' D' ' 354' ' ' GLN . 44.7 tp -64.24 -50.12 69.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.343 -0.848 . . . . 0.75 109.391 -179.896 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.31 -47.19 83.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 2.1899999999999999 109.056 179.816 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -57.82 -31.77 66.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.56 -0.712 . . . . 1.3400000000000001 109.41 179.743 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -34.84 78.62 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 0.71999999999999997 109.68 -179.823 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.593 HE22 HD11 ' D' ' 350' ' ' LEU . 72.5 mt-30 -82.14 -37.59 25.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 1.8 109.323 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.72 -4.98 30.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 1.3899999999999999 109.246 179.659 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.51 1.99 86.43 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.552 -1.419 . . . . 1.6599999999999999 109.552 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.31 110.34 19.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.28 -1.13 . . . . 4.4500000000000002 109.366 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 1.6 mt-10 -50.97 -53.34 49.04 Favored Pre-proline 0 N--CA 1.488 1.447 0 O-C-N 121.235 -0.915 . . . . 6.1900000000000004 110.178 -179.911 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.1 Cg_endo -60.7 142.78 98.74 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 N-CA-C 109.644 -0.945 . . . . 5.5800000000000001 109.644 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 CA-C-O 118.024 -1.431 . . . . 6.9000000000000004 109.542 179.898 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.326 -0.62 . . . . 7.3600000000000003 109.326 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 45.9 mttm 56.45 17.37 2.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.427 -0.796 . . . . 7.1500000000000004 109.778 179.94 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' D' ' 323' ' ' LEU . 72.7 mttt 53.82 80.26 0.3 Allowed Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.968 . . . . 6.5 109.376 179.791 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -66.24 28.37 0.1 Allowed 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 121.686 1.59 . . . . 4.5 110.843 -179.429 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' D' ' 321' ' ' LYS . 17.3 mt -78.95 127.79 32.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.887 -1.133 . . . . 4.3200000000000003 108.863 179.609 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.26 98.98 7.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 2.46 110.294 -179.271 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -74.2 163.14 54.47 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.053 -1.619 . . . . 0.96999999999999997 109.053 179.037 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -61.82 122.69 16.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.886 -1.361 . . . . 1.6699999999999999 109.571 179.761 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 78.7 m-85 -98.89 152.44 19.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.231 -0.918 . . . . 0.60999999999999999 110.131 -179.975 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -141.51 137.36 32.02 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.713 -0.847 . . . . 0.56000000000000005 108.713 178.901 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 42.2 p -93.72 163.97 13.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 0.42999999999999999 109.109 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -149.35 130.76 14.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.062 -1.024 . . . . 0.34999999999999998 110.015 -179.217 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -85.17 128.48 34.68 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.673 -0.862 . . . . 1.3700000000000001 108.673 179.319 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.29 115.59 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.551 -0.718 . . . . 0.47999999999999998 109.711 -179.408 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -76.26 156.95 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.419 -0.801 . . . . 2.0800000000000001 109.797 179.689 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.86 138.74 2.28 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.301 -1.12 . . . . 0.40000000000000002 110.301 179.293 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -83.25 -48.86 10.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.373 -1.075 . . . . 2.6400000000000001 109.453 179.734 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.25 -39.7 79.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.096 -1.002 . . . . 2.2200000000000002 109.092 179.832 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.06 -43.0 99.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.419 -0.801 . . . . 2.7400000000000002 109.395 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.5 -56.13 23.82 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.563 -0.71 . . . . 0.42999999999999999 109.854 -179.863 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.1 -38.68 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 1.6899999999999999 109.961 -179.614 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.37 -53.9 41.37 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.193 -0.942 . . . . 0.42999999999999999 110.475 -179.177 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -43.24 99.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.049 -1.032 . . . . 0.27000000000000002 109.185 -179.596 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -51.74 -44.41 63.28 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.243 -0.911 . . . . 2.4500000000000002 109.186 179.511 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.93 -43.88 98.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.75 109.869 -179.869 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.84 -40.82 94.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.933 . . . . 0.31 109.175 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -58.36 -54.77 43.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.228 -0.92 . . . . 1.22 109.476 179.839 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' D' ' 346' ' ' GLU . 0.3 OUTLIER -62.79 -33.73 75.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.343 -0.848 . . . . 1.73 109.429 -179.74 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.532 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -56.19 25.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.28000000000000003 109.944 -179.632 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.53 -45.16 95.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.207 -0.933 . . . . 0.31 109.516 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -59.92 -34.18 72.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.426 -179.987 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.593 HD11 HE22 ' C' ' 354' ' ' GLN . 44.6 tp -64.17 -50.15 69.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 0.42999999999999999 109.376 -179.94 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.36 -47.2 83.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.32 -0.863 . . . . 1.5700000000000001 108.973 179.892 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.73 -31.84 66.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 1.4399999999999999 109.483 179.727 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.88 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 0.64000000000000001 109.665 -179.807 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.603 HE22 HD11 ' C' ' 350' ' ' LEU . 72.5 mt-30 -82.04 -37.67 26.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.92 . . . . 1.21 109.353 179.953 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -5.04 30.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.894 . . . . 1.22 109.256 179.655 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.54 1.95 86.6 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.554 -1.418 . . . . 1.5 109.554 179.988 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -85.23 110.31 18.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.184 -1.186 . . . . 4.1799999999999997 109.425 -179.934 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 1.6 mt-10 -50.85 -53.42 47.63 Favored Pre-proline 0 C--N 1.304 -1.379 0 O-C-N 121.176 -0.952 . . . . 5.6699999999999999 110.284 -179.995 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.1 Cg_endo -60.63 142.82 98.88 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 N-CA-C 109.662 -0.938 . . . . 5.6500000000000004 109.662 179.975 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 117.95 -1.472 . . . . 7.2699999999999996 109.494 179.9 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.457 -0.571 . . . . 7.3300000000000001 109.457 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 322' ' ' PRO . 10.0 mptt 52.06 10.99 0.13 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.351 -0.843 . . . . 7.21 110.139 179.652 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 320' ' ' LYS . 35.5 mtmt 18.62 -81.15 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.591 0 CA-C-O 118.028 -0.987 . . . . 6.4699999999999998 112.19 -179.356 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.504 ' N ' ' O ' ' A' ' 320' ' ' LYS . 1.4 Cg_endo -57.18 105.86 0.2 Allowed 'Trans proline' 0 N--CA 1.479 0.626 0 CA-C-N 120.731 1.297 . . . . 4.5300000000000002 109.64 178.74 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.99 93.5 6.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.997 . . . . 4.3499999999999996 109.132 179.705 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -87.61 -12.33 45.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.479 -0.763 . . . . 2.48 109.985 -179.681 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.42 124.01 12.57 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 119.702 -1.237 . . . . 0.97999999999999998 110.215 -179.471 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.61 133.72 52.85 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.735 -0.862 . . . . 1.7 109.195 179.291 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -96.79 148.99 22.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.131 -0.981 . . . . 0.60999999999999999 109.838 -179.934 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -140.53 140.75 35.28 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.373 -0.829 . . . . 0.57999999999999996 108.921 179.466 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 44.4 p -98.19 165.08 12.05 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.303 -0.873 . . . . 0.41999999999999998 109.332 -179.949 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.1 tp -150.41 133.01 15.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.275 -0.891 . . . . 0.35999999999999999 109.952 -179.463 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.73 126.57 34.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.382 -0.824 . . . . 1.3700000000000001 108.872 179.353 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.93 114.59 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.462 -0.774 . . . . 0.46999999999999997 109.871 -179.632 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.11 154.31 35.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 2.1000000000000001 109.657 179.625 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.53 4.16 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.169 -1.172 . . . . 0.41999999999999998 110.169 179.418 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -84.23 -51.08 7.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -1.076 . . . . 2.6800000000000002 109.379 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.25 -40.92 78.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.125 179.84 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.17 -45.69 90.64 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.683 -0.858 . . . . 2.77 108.683 179.487 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.72 -52.65 64.15 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.647 -0.658 . . . . 0.42999999999999999 109.259 179.434 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.57 -40.15 62.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 1.6599999999999999 109.866 -179.73 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' D' ' 340' ' ' MET . 24.3 ttp -62.71 -50.33 71.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.321 -0.862 . . . . 0.44 110.229 -179.577 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.08 -44.96 96.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.19 -0.944 . . . . 0.28999999999999998 109.148 -179.74 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.58 60.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 2.4399999999999999 109.261 179.764 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -61.33 -52.76 63.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.74 109.868 -179.646 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.22 -35.75 76.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.096 -1.003 . . . . 0.29999999999999999 108.675 179.788 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.74 -57.6 12.3 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.46 -0.775 . . . . 1.22 109.387 179.522 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 1.72 109.573 179.962 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.46 -51.62 69.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.337 -0.852 . . . . 0.27000000000000002 110.138 -179.447 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.77 -46.51 89.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.099 -1.001 . . . . 0.28999999999999998 109.428 -179.741 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.146 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -65.38 -51.86 57.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.085 179.902 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.27 -37.99 85.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.276 -0.89 . . . . 1.5600000000000001 108.946 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -55.73 -36.83 67.69 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.67 -0.644 . . . . 1.4299999999999999 109.294 179.784 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.15 73.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.446 -0.784 . . . . 0.66000000000000003 109.556 179.905 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.2 -2.62 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 1.1799999999999999 109.656 -179.843 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.31 -85.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.23 109.374 -179.961 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.16 103.56 1.6 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.757 -1.337 . . . . 1.54 109.757 -179.928 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -85.33 134.84 34.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -1.127 . . . . 4.1799999999999997 108.959 179.758 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.05 138.89 24.57 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 5.71 109.331 -179.379 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.47 140.06 89.52 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 C-N-CA 120.783 0.988 . . . . 5.6100000000000003 109.603 179.407 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 117.929 -1.484 . . . . 7.2400000000000002 109.423 179.896 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.5 -0.556 . . . . 7.3399999999999999 109.5 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' B' ' 321' ' ' LYS . 10.0 mptt 52.15 10.88 0.13 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.362 -0.836 . . . . 7.1699999999999999 110.125 179.61 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' B' ' 320' ' ' LYS . 35.5 mtmt 18.63 -81.13 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.62 0 CA-C-O 117.998 -1.001 . . . . 6.4400000000000004 112.226 -179.318 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.493 ' N ' ' O ' ' B' ' 320' ' ' LYS . 1.4 Cg_endo -57.25 105.9 0.21 Allowed 'Trans proline' 0 C--O 1.215 -0.659 0 CA-C-N 120.734 1.298 . . . . 4.54 109.605 178.771 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 93.63 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.951 . . . . 4.3200000000000003 109.111 179.701 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -87.63 -12.05 46.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.43 -0.794 . . . . 2.4700000000000002 110.023 -179.747 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.8 124.12 11.71 Favored Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.706 -1.235 . . . . 0.94999999999999996 110.143 -179.402 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.67 133.76 52.85 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.741 -0.858 . . . . 1.6100000000000001 109.209 179.331 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.85 148.86 22.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.202 -0.936 . . . . 0.56999999999999995 109.893 -179.916 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.49 140.68 35.36 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.455 -0.778 . . . . 0.53000000000000003 108.921 179.526 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.12 164.95 12.12 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.342 -0.848 . . . . 0.38 109.322 -179.896 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.29 133.04 15.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.94 . . . . 0.35999999999999999 110.0 -179.544 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.77 126.55 34.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 1.3600000000000001 108.932 179.337 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.96 114.56 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.418 -0.801 . . . . 0.48999999999999999 109.868 -179.572 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.455 -0.778 . . . . 2.1000000000000001 109.727 179.606 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.72 138.46 4.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.127 -1.189 . . . . 0.44 110.127 179.412 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -84.15 -51.04 7.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.361 -1.082 . . . . 2.7200000000000002 109.408 179.671 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.1 78.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 2.21 109.074 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.06 -45.71 90.92 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.711 -0.848 . . . . 2.79 108.711 179.508 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.66 -52.67 64.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.277 -0.638 . . . . 0.45000000000000001 109.277 179.428 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.16 62.35 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 1.6799999999999999 109.842 -179.71 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.3 ttp -62.73 -50.32 71.57 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.42999999999999999 110.234 -179.563 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.19 -44.83 96.67 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.247 -0.908 . . . . 0.28000000000000003 109.165 -179.751 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.16 -41.65 60.27 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.167 -0.958 . . . . 2.52 109.234 179.703 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.29 -52.71 63.57 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.295 -0.878 . . . . 1.75 109.901 -179.612 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.27 -35.7 76.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.31 108.741 179.726 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.77 -57.64 12.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.471 -0.768 . . . . 1.21 109.382 179.476 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.57 -31.42 72.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.629 179.97 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.56 -51.47 69.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.27000000000000002 110.147 -179.475 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.79 -46.43 89.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.076 -1.015 . . . . 0.29999999999999999 109.481 -179.808 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -58.54 -34.0 70.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 1.9299999999999999 109.045 179.875 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -65.34 -51.87 57.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.363 -0.835 . . . . 0.40000000000000002 109.147 179.828 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.2 -38.18 85.62 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.84 . . . . 1.5900000000000001 108.892 179.739 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.56 -36.91 67.34 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.273 179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.06 73.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.38 -0.825 . . . . 0.65000000000000002 109.545 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.21 -2.64 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 1.1899999999999999 109.572 -179.827 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.25 -85.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.88 . . . . 1.22 109.422 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.02 103.43 1.57 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.804 -1.318 . . . . 1.53 109.804 179.996 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.19 134.8 34.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -1.123 . . . . 4.21 109.045 179.66 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.07 138.83 24.85 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 5.6799999999999997 109.383 -179.386 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.42 140.05 89.61 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.833 1.022 . . . . 5.5700000000000003 109.648 179.436 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.44 -1.464 . . . . 7.2000000000000002 109.44 179.919 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' C' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.245 0.545 . . . . 8.9600000000000009 109.551 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' C' ' 322' ' ' PRO . 10.0 mptt 52.04 10.99 0.13 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 8.1500000000000004 110.149 179.638 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' C' ' 320' ' ' LYS . 35.5 mtmt 18.6 -81.09 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.621 0 CA-C-O 117.948 -1.025 . . . . 7.1500000000000004 112.175 -179.359 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' C' ' 320' ' ' LYS . 1.3 Cg_endo -57.28 105.96 0.21 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.748 1.303 . . . . 4.3499999999999996 109.572 178.812 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 21.0 mt -82.03 93.55 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.935 . . . . 4.6299999999999999 109.123 179.676 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.63 -12.11 46.52 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.478 -0.764 . . . . 2.8500000000000001 110.056 -179.753 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.61 124.15 12.24 Favored Glycine 0 N--CA 1.49 2.287 0 C-N-CA 119.698 -1.239 . . . . 1.1200000000000001 110.17 -179.466 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.73 133.74 52.71 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.728 -0.866 . . . . 2.1099999999999999 109.173 179.357 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.79 149.03 22.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.225 -0.922 . . . . 0.64000000000000001 109.774 -179.898 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -140.62 140.7 35.11 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -0.76 . . . . 0.48999999999999999 108.963 179.423 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 44.3 p -98.15 165.08 12.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.402 -0.811 . . . . 0.46999999999999997 109.242 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 42.9 tp -150.43 132.95 15.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.977 . . . . 0.41999999999999998 110.003 -179.512 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.68 126.55 34.03 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.895 -0.78 . . . . 1.8100000000000001 108.895 179.356 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.6 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 121.617 -0.677 . . . . 0.41999999999999998 109.861 -179.69 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.06 154.35 35.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.33 -0.856 . . . . 2.3500000000000001 109.662 179.582 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.68 138.56 4.14 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 110.079 -1.208 . . . . 0.40999999999999998 110.079 179.366 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.31 -51.03 7.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.24 -1.153 . . . . 2.5899999999999999 109.364 179.725 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.23 -41.04 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.336 -0.853 . . . . 2.54 109.114 179.839 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.02 -45.78 90.68 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.736 -0.839 . . . . 3.3900000000000001 108.736 179.437 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -56.58 -52.73 63.69 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.614 -0.679 . . . . 0.46999999999999997 109.245 179.435 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.59 -40.18 62.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.436 -0.79 . . . . 1.6599999999999999 109.815 -179.633 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 24.2 ttp -62.69 -50.26 71.87 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.339 -0.851 . . . . 0.60999999999999999 110.269 -179.574 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -61.21 -44.88 96.57 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.188 -0.945 . . . . 0.33000000000000002 109.165 -179.736 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -51.15 -41.63 60.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.156 -0.965 . . . . 3.2799999999999998 109.206 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -61.19 -52.87 62.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 1.78 109.855 -179.638 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.8 mt -60.17 -35.75 76.04 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.38 108.703 179.794 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.86 -57.57 12.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.546 -0.721 . . . . 1.2 109.319 179.581 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -64.58 -31.44 72.65 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.593 -179.972 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.55 -51.54 69.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.351 -0.843 . . . . 0.26000000000000001 110.106 -179.474 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.82 -46.45 89.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.046 -1.034 . . . . 0.40000000000000002 109.432 -179.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.37 -34.06 70.28 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.24 -0.913 . . . . 2.0899999999999999 109.163 179.821 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -65.36 -51.78 58.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.345 -0.847 . . . . 0.75 109.144 179.885 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -61.23 -38.13 85.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 2.1899999999999999 109.006 179.612 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.72 -36.74 67.55 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.615 -0.678 . . . . 1.3400000000000001 109.363 179.75 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.06 74.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.339 -0.85 . . . . 0.71999999999999997 109.632 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.22 -2.68 49.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.321 -0.862 . . . . 1.8 109.574 -179.843 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.28 -85.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.186 -0.946 . . . . 1.3899999999999999 109.42 179.999 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.14 103.5 1.59 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.792 -1.323 . . . . 1.6599999999999999 109.792 -179.94 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.23 134.85 34.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.298 -1.119 . . . . 4.4500000000000002 109.02 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -50.97 138.87 23.91 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.136 -0.978 . . . . 6.1900000000000004 109.33 -179.403 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -60.58 140.12 89.53 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 N-CA-C 109.632 -0.949 . . . . 5.5800000000000001 109.632 179.386 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.945 -1.475 . . . . 6.9000000000000004 109.483 179.878 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.43 ' C ' ' H ' ' D' ' 321' ' ' LYS . 98.5 mttt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.446 -0.575 . . . . 7.3600000000000003 109.446 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' D' ' 321' ' ' LYS . 10.0 mptt 52.12 10.9 0.13 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.293 -0.879 . . . . 7.1500000000000004 110.103 179.608 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' D' ' 320' ' ' LYS . 35.5 mtmt 18.65 -81.18 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.614 0 CA-C-O 117.975 -1.012 . . . . 6.5 112.234 -179.346 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.486 ' N ' ' O ' ' D' ' 320' ' ' LYS . 1.4 Cg_endo -57.19 105.88 0.2 Allowed 'Trans proline' 0 C--O 1.215 -0.646 0 CA-C-N 120.78 1.314 . . . . 4.5 109.577 178.757 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 21.0 mt -81.98 93.58 6.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.17 -0.956 . . . . 4.3200000000000003 109.119 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -87.63 -12.2 46.26 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.397 -0.814 . . . . 2.46 110.066 -179.738 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.47 124.02 12.46 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.743 -1.218 . . . . 0.96999999999999997 110.171 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.73 133.74 52.73 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.643 -0.916 . . . . 1.6699999999999999 109.119 179.341 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -96.74 149.02 22.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.179 -0.951 . . . . 0.60999999999999999 109.872 -179.947 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -140.56 140.72 35.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.31 -0.869 . . . . 0.56000000000000005 108.932 179.475 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 44.6 p -98.17 165.07 12.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.367 -0.833 . . . . 0.42999999999999999 109.29 -179.939 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.0 tp -150.35 133.05 15.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 0.34999999999999998 109.957 -179.505 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -85.9 126.66 34.25 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.84 -0.8 . . . . 1.3700000000000001 108.84 179.349 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.89 114.56 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.603 -0.686 . . . . 0.47999999999999998 109.895 -179.593 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -76.08 154.23 35.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 2.0800000000000001 109.758 179.62 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.78 138.55 4.2 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.131 -1.188 . . . . 0.40000000000000002 110.131 179.451 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -84.24 -51.11 7.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.364 -1.08 . . . . 2.6400000000000001 109.384 179.628 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.21 -41.05 78.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.889 . . . . 2.2200000000000002 109.085 179.914 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -63.05 -45.77 90.67 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.66 -0.867 . . . . 2.7400000000000002 108.66 179.47 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.63 -52.71 63.84 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.646 -0.659 . . . . 0.42999999999999999 109.246 179.498 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -52.55 -40.23 62.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -0.772 . . . . 1.6899999999999999 109.752 -179.644 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.505 ' SD ' ' SD ' ' A' ' 340' ' ' MET . 24.2 ttp -62.68 -50.33 71.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.35 -0.843 . . . . 0.42999999999999999 110.278 -179.525 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.14 -44.86 96.67 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.187 -0.946 . . . . 0.27000000000000002 109.179 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -51.2 -41.54 60.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.15 -0.969 . . . . 2.4500000000000002 109.282 179.737 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -61.31 -52.78 63.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 1.75 109.843 -179.66 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.27 -35.67 76.06 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.205 -0.934 . . . . 0.31 108.658 179.826 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -58.8 -57.65 12.1 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.432 -0.792 . . . . 1.22 109.337 179.531 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -64.57 -31.46 72.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.308 -0.87 . . . . 1.73 109.601 -179.999 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.56 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.48 -51.55 69.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 0.28000000000000003 110.188 -179.503 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.75 -46.65 88.72 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.127 -0.983 . . . . 0.31 109.414 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.3 -34.08 70.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.112 179.863 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.599 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -65.41 -51.71 58.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.36 -0.837 . . . . 0.42999999999999999 109.189 179.887 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.22 -38.15 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 1.5700000000000001 108.943 179.636 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.66 -36.75 67.42 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.616 -0.677 . . . . 1.4399999999999999 109.325 179.807 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.16 73.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.64000000000000001 109.47 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -81.18 -2.62 49.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 1.21 109.608 -179.828 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.23 -85.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 1.22 109.418 -179.991 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.18 103.55 1.6 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.752 -1.339 . . . . 1.5 109.752 -179.98 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -85.27 134.84 34.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.236 -1.155 . . . . 4.1799999999999997 109.002 179.648 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.05 138.83 24.65 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.133 -0.979 . . . . 5.6699999999999999 109.374 -179.376 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -60.43 140.0 89.36 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 120.827 1.018 . . . . 5.6500000000000004 109.626 179.378 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.413 -1.475 . . . . 7.2699999999999996 109.413 179.947 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.268 -0.641 . . . . 7.3300000000000001 109.268 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 55.94 -144.06 0.69 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.885 . . . . 7.21 109.749 -179.995 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 323' ' ' LEU . 46.6 tttm 56.86 66.92 2.88 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.342 -0.849 . . . . 6.4699999999999998 109.999 -179.917 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.21 4.53 0.93 Allowed 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.506 1.47 . . . . 4.5300000000000002 109.788 179.868 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.9 mm? -80.94 24.15 0.52 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.364 -0.835 . . . . 4.3499999999999996 109.421 -179.843 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -77.99 -133.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.375 -0.828 . . . . 2.48 109.838 -179.591 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.47 146.9 46.34 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.011 -1.236 . . . . 0.97999999999999998 110.011 -179.43 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.56 142.35 55.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.479 -1.013 . . . . 1.7 109.379 179.84 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -96.51 148.62 22.63 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.23 -0.919 . . . . 0.60999999999999999 110.23 -179.751 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.5 137.15 35.26 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.64 -0.874 . . . . 0.57999999999999996 108.64 179.083 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.6 166.15 12.17 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.265 -0.897 . . . . 0.41999999999999998 109.313 -179.692 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.1 tp -149.79 129.28 13.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.35999999999999999 109.693 -179.581 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.7 125.59 32.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.374 -0.828 . . . . 1.3700000000000001 108.943 179.73 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -124.43 115.84 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.582 -0.699 . . . . 0.46999999999999997 109.701 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -76.42 158.26 31.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 2.1000000000000001 109.766 179.408 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.03 1.75 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.293 -1.123 . . . . 0.41999999999999998 110.293 179.364 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.553 ' HG2' HH11 ' A' ' 335' ' ' ARG . 0.0 OUTLIER -83.14 -47.29 11.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.358 -1.084 . . . . 2.6800000000000002 108.995 179.639 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.14 -43.5 92.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 2.2200000000000002 109.369 179.854 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.43 HH22 ' CG ' ' C' ' 352' ' ' ASP . 42.7 ttm180 -62.43 -42.95 99.83 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.398 -0.814 . . . . 2.77 109.196 179.726 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -55.39 -50.0 70.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.525 -0.735 . . . . 0.42999999999999999 109.498 179.687 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.44 -39.61 61.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 110.086 -179.632 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.05 -49.12 77.26 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.267 -0.896 . . . . 0.44 110.251 -179.282 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.64 -44.56 96.26 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.175 -0.953 . . . . 0.28999999999999998 109.25 -179.713 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.89 -42.75 59.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.913 . . . . 2.4399999999999999 109.458 179.632 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.03 -51.42 69.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 1.74 109.709 -179.882 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.8 -37.44 81.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 0.29999999999999999 108.952 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.52 -54.69 44.19 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.323 -0.86 . . . . 1.22 109.213 179.514 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -63.18 -32.92 74.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 1.72 109.687 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.55 -55.05 40.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 0.27000000000000002 110.093 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.11 -43.79 98.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 0.28999999999999998 109.556 -179.712 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -59.24 -35.77 74.26 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.9099999999999999 109.654 -179.91 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.24 -49.82 70.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 0.40999999999999998 109.408 -179.841 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.74 -46.7 86.84 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.342 -0.849 . . . . 1.5600000000000001 109.101 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.439 ' CG ' HH22 ' C' ' 337' ' ' ARG . 2.6 m-20 -57.7 -30.9 65.88 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.433 179.613 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.92 -45.68 73.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.66000000000000003 110.17 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.26 -7.83 59.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.158 -0.964 . . . . 1.1799999999999999 109.8 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.82 -8.94 57.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.112 -0.993 . . . . 1.23 109.311 179.749 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -11.57 73.91 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.742 -1.343 . . . . 1.54 109.742 -179.945 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.13 -0.84 57.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.044 -1.268 . . . . 4.1799999999999997 109.383 179.971 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.73 111.45 1.88 Allowed Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 5.71 109.344 -179.901 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.98 138.45 78.78 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 C-N-CA 120.645 0.897 . . . . 5.6100000000000003 110.089 -179.73 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.534 -1.426 . . . . 7.2400000000000002 109.534 179.725 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.344 -0.613 . . . . 7.3399999999999999 109.344 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 55.87 -143.93 0.7 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.255 -0.903 . . . . 7.1699999999999999 109.762 -179.963 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' B' ' 323' ' ' LEU . 46.6 tttm 56.67 66.98 2.9 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.356 -0.84 . . . . 6.4400000000000004 110.015 -179.846 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.16 4.58 0.9 Allowed 'Trans proline' 0 C--N 1.318 -1.043 0 C-N-CA 121.507 1.472 . . . . 4.54 109.896 179.783 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.507 ' N ' HD22 ' B' ' 323' ' ' LEU . 3.8 mm? -81.03 24.19 0.52 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.227 -0.921 . . . . 4.3200000000000003 109.348 -179.779 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -78.0 -133.32 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -0.824 . . . . 2.4700000000000002 109.818 -179.572 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.27 146.88 46.64 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.11 -1.196 . . . . 0.94999999999999996 110.11 -179.535 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.5 142.37 55.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.488 -1.007 . . . . 1.6100000000000001 109.374 179.806 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -96.53 148.58 22.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.25 -0.906 . . . . 0.56999999999999995 110.234 -179.766 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -139.44 137.15 35.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.61 -0.885 . . . . 0.53000000000000003 108.61 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 40.6 p -94.57 166.4 12.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.329 -0.857 . . . . 0.38 109.342 -179.728 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -150.04 129.15 12.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.35999999999999999 109.665 -179.593 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.62 125.54 32.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.844 . . . . 1.3600000000000001 109.031 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -124.37 115.75 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.557 -0.714 . . . . 0.48999999999999999 109.744 -179.495 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 -76.43 158.28 31.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.852 . . . . 2.1000000000000001 109.788 179.447 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.29 135.13 1.73 Allowed Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.268 -1.133 . . . . 0.44 110.268 179.442 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' B' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.35 11.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -1.023 . . . . 2.7200000000000002 109.024 179.631 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.19 -43.39 92.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.844 . . . . 2.21 109.411 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.503 HH22 ' CG ' ' D' ' 352' ' ' ASP . 42.7 ttm180 -62.47 -42.99 99.87 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.249 -0.907 . . . . 2.79 109.183 179.699 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.33 -50.05 70.61 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.542 -0.724 . . . . 0.45000000000000001 109.477 179.667 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.47 -39.55 61.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 1.6799999999999999 110.02 -179.617 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.09 -49.13 77.15 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.257 -0.902 . . . . 0.42999999999999999 110.234 -179.24 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -60.68 -44.54 96.37 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.226 -0.921 . . . . 0.28000000000000003 109.265 -179.706 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.84 -42.84 58.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.923 . . . . 2.52 109.442 179.601 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.29 69.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.939 . . . . 1.75 109.688 -179.821 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.87 -37.43 82.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -0.913 . . . . 0.31 108.948 179.867 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.57 -54.61 45.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.338 -0.851 . . . . 1.21 109.264 179.498 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.23 -32.9 74.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -0.86 . . . . 1.6899999999999999 109.647 179.866 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.52 -55.05 40.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 0.27000000000000002 110.142 -179.505 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 53.2 mt -61.09 -43.87 98.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 0.29999999999999999 109.598 -179.765 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.18 -35.8 74.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 109.613 -179.844 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.24 -49.82 70.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.204 -0.935 . . . . 0.40000000000000002 109.4 -179.872 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.78 -46.61 87.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.375 -0.828 . . . . 1.5900000000000001 109.06 -179.938 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.471 ' CG ' HH22 ' D' ' 337' ' ' ARG . 2.6 m-20 -57.83 -30.83 66.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.523 -0.736 . . . . 1.4299999999999999 109.437 179.635 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.59 73.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 110.16 -179.655 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -81.36 -7.84 59.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.1899999999999999 109.766 -179.584 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.87 57.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 1.22 109.318 179.728 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -11.58 73.89 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.749 -1.34 . . . . 1.53 109.749 -179.961 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.15 -0.85 57.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -1.186 . . . . 4.21 109.358 -179.983 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.74 111.5 1.91 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.857 . . . . 5.6799999999999997 109.344 -179.889 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.0 138.44 78.61 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 C-N-CA 120.669 0.913 . . . . 5.5700000000000003 110.148 -179.737 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.975 -1.458 . . . . 7.2000000000000002 109.533 179.809 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.268 -0.642 . . . . 8.9600000000000009 109.268 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 55.89 -144.03 0.69 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.315 -0.866 . . . . 8.1500000000000004 109.772 -179.941 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' C' ' 323' ' ' LEU . 46.4 tttm 56.79 66.98 2.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.343 -0.848 . . . . 7.1500000000000004 110.034 -179.87 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.24 4.6 0.91 Allowed 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 121.554 1.503 . . . . 4.3499999999999996 109.822 179.84 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.506 HD22 ' N ' ' C' ' 323' ' ' LEU . 3.9 mm? -81.1 24.21 0.53 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 4.6299999999999999 109.361 -179.783 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.98 -133.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 2.8500000000000001 109.853 -179.654 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.41 146.86 46.37 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.972 -1.251 . . . . 1.1200000000000001 109.972 -179.419 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -60.46 142.3 55.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.464 -1.021 . . . . 2.1099999999999999 109.366 179.836 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -96.49 148.6 22.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.216 -0.928 . . . . 0.64000000000000001 110.25 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.54 137.02 35.08 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.672 -0.862 . . . . 0.48999999999999999 108.672 179.159 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.7 p -94.5 166.15 12.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.311 -0.868 . . . . 0.46999999999999997 109.409 -179.697 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.92 129.28 12.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 0.41999999999999998 109.582 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -84.64 125.56 32.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.8100000000000001 108.968 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -124.45 115.8 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.629 -0.67 . . . . 0.41999999999999998 109.683 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 -76.41 158.18 31.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.3500000000000001 109.834 179.371 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.54 135.1 1.82 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.21 -1.156 . . . . 0.40999999999999998 110.21 179.37 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' C' ' 335' ' ' ARG . 0.0 OUTLIER -83.09 -47.39 11.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.342 -1.093 . . . . 2.5899999999999999 109.014 179.557 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -59.12 -43.44 91.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 2.54 109.44 179.885 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.439 HH22 ' CG ' ' A' ' 352' ' ' ASP . 42.7 ttm180 -62.48 -42.96 99.85 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.351 -0.843 . . . . 3.3900000000000001 109.172 179.728 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.36 -50.03 70.72 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.509 -0.744 . . . . 0.46999999999999997 109.472 179.657 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.42 -39.56 61.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.262 -0.899 . . . . 1.6599999999999999 110.058 -179.598 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.06 -49.1 77.31 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.184 -0.948 . . . . 0.60999999999999999 110.304 -179.216 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.74 -44.56 96.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.235 -0.916 . . . . 0.33000000000000002 109.194 -179.691 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -50.77 -42.8 58.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 3.2799999999999998 109.502 179.598 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.05 -51.33 69.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 1.78 109.76 -179.893 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -60.77 -37.62 82.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 0.38 108.915 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.39 -54.74 43.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.375 -0.828 . . . . 1.2 109.242 179.536 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.2 -32.8 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.389 -0.82 . . . . 2.1200000000000001 109.685 179.904 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.71 -54.88 42.06 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.26000000000000001 110.08 -179.421 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.22 -43.86 98.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.18 -0.95 . . . . 0.40000000000000002 109.526 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.13 -35.79 74.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.283 -0.886 . . . . 2.0899999999999999 109.653 -179.914 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.404 HD11 HE22 ' D' ' 354' ' ' GLN . 52.0 tp -64.28 -49.68 70.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.172 -0.955 . . . . 0.75 109.512 -179.873 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.86 -46.6 87.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 109.061 179.955 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.43 ' CG ' HH22 ' A' ' 337' ' ' ARG . 2.6 m-20 -57.76 -30.85 65.94 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.471 -0.768 . . . . 1.3400000000000001 109.379 179.602 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.67 73.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.311 -0.868 . . . . 0.71999999999999997 110.09 -179.591 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.31 -7.84 59.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.166 -0.959 . . . . 1.8 109.814 -179.496 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.71 -9.06 58.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 1.3899999999999999 109.333 179.731 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -11.59 74.21 Favored Glycine 0 N--CA 1.493 2.433 0 N-CA-C 109.78 -1.328 . . . . 1.6599999999999999 109.78 -179.943 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.12 -0.88 57.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -1.234 . . . . 4.4500000000000002 109.328 -179.968 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -48.67 111.4 1.85 Allowed Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.324 -0.86 . . . . 6.1900000000000004 109.376 -179.926 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.99 138.5 79.11 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 C-N-CA 120.704 0.936 . . . . 5.5800000000000001 110.091 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 118.04 -1.422 . . . . 6.9000000000000004 109.55 179.771 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.299 -0.63 . . . . 7.3600000000000003 109.299 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 55.92 -144.0 0.69 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.326 -0.859 . . . . 7.1500000000000004 109.74 179.954 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' D' ' 323' ' ' LEU . 46.5 tttm 56.7 66.97 2.9 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.371 -0.83 . . . . 6.5 110.066 -179.854 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.15 4.49 0.93 Allowed 'Trans proline' 0 C--N 1.318 -1.056 0 C-N-CA 121.529 1.486 . . . . 4.5 109.892 179.838 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.51 HD22 ' N ' ' D' ' 323' ' ' LEU . 3.8 mm? -81.01 24.21 0.52 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -0.882 . . . . 4.3200000000000003 109.408 -179.798 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.94 -133.29 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.369 -0.832 . . . . 2.46 109.849 -179.631 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 146.9 46.38 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.055 -1.218 . . . . 0.96999999999999997 110.055 -179.485 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.46 142.18 55.47 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.477 -1.014 . . . . 1.6699999999999999 109.417 179.818 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -96.39 148.59 22.63 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.284 -0.885 . . . . 0.60999999999999999 110.232 -179.723 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.6 137.0 34.97 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.678 -0.86 . . . . 0.56000000000000005 108.678 179.088 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -94.32 166.26 12.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.291 -0.881 . . . . 0.42999999999999999 109.425 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -149.95 129.18 12.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 0.34999999999999998 109.705 -179.627 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -84.65 125.64 32.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.419 -0.8 . . . . 1.3700000000000001 108.981 179.723 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.4 115.86 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.521 -0.737 . . . . 0.47999999999999998 109.733 -179.548 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 158.22 31.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.32 -0.862 . . . . 2.0800000000000001 109.796 179.375 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.11 1.77 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.258 -1.137 . . . . 0.40000000000000002 110.258 179.373 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.566 ' HG2' HH11 ' D' ' 335' ' ' ARG . 0.0 OUTLIER -83.1 -47.39 11.7 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.427 -1.043 . . . . 2.6400000000000001 108.993 179.621 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -59.13 -43.35 91.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 2.2200000000000002 109.407 179.871 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.471 HH22 ' CG ' ' B' ' 352' ' ' ASP . 42.7 ttm180 -62.54 -42.91 99.84 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.284 -0.885 . . . . 2.7400000000000002 109.153 179.757 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.37 -50.02 70.8 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.524 -0.735 . . . . 0.42999999999999999 109.497 179.694 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.41 -39.66 61.2 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 110.051 -179.645 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.07 -49.11 77.28 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.157 -0.964 . . . . 0.42999999999999999 110.233 -179.209 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.208 -0.932 . . . . 0.27000000000000002 109.181 -179.65 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.76 -42.83 58.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 2.4500000000000002 109.475 179.624 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.98 -51.4 69.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 1.75 109.712 -179.842 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.74 -37.55 82.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.113 -0.992 . . . . 0.31 108.972 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.48 -54.65 44.59 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.396 -0.815 . . . . 1.22 109.222 179.546 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.21 -32.96 74.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.73 109.71 179.891 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.53 -55.01 40.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.28000000000000003 110.103 -179.481 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.14 -43.68 98.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.31 109.579 -179.748 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -59.32 -35.77 74.43 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -0.936 . . . . 1.9099999999999999 109.563 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 51.9 tp -64.22 -49.85 70.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.138 -0.976 . . . . 0.42999999999999999 109.427 -179.87 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -62.73 -46.71 86.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.5700000000000001 109.05 179.995 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.503 ' CG ' HH22 ' B' ' 337' ' ' ARG . 2.6 m-20 -57.73 -30.82 65.86 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 109.445 179.667 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.62 73.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 0.64000000000000001 110.129 -179.594 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.404 HE22 HD11 ' C' ' 350' ' ' LEU . 51.6 mt-30 -81.32 -7.96 59.66 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 1.21 109.705 -179.522 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.69 -8.94 57.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.187 -0.946 . . . . 1.22 109.356 179.767 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.73 -11.58 73.82 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.72 -1.352 . . . . 1.5 109.72 -179.929 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -87.1 -0.85 57.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -1.198 . . . . 4.1799999999999997 109.425 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -48.67 111.36 1.83 Allowed Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.414 -0.804 . . . . 5.6699999999999999 109.423 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.91 138.49 79.25 Favored 'Trans proline' 0 C--O 1.216 -0.622 0 C-N-CA 120.684 0.923 . . . . 5.6500000000000004 110.143 -179.729 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 118.0 -1.445 . . . . 7.2699999999999996 109.502 179.754 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.48 -0.563 . . . . 7.3300000000000001 109.48 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 321' ' ' LYS . 57.9 mttp 52.85 177.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.856 . . . . 7.21 109.631 179.956 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 320' ' ' LYS . 34.4 tttp 62.28 129.68 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.668 -0.645 . . . . 6.4699999999999998 109.365 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.51 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.64 0 C-N-CA 120.676 0.917 . . . . 4.5300000000000002 109.975 179.81 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.7 108.74 14.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.868 . . . . 4.3499999999999996 109.418 179.957 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.09 -101.56 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.333 -0.854 . . . . 2.48 109.75 -179.971 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.06 150.1 49.9 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.85 -1.3 . . . . 0.97999999999999998 109.85 -179.615 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.79 133.85 56.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -1.019 . . . . 1.7 109.612 179.914 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 30.5 m-85 -95.13 151.12 19.48 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.269 -0.895 . . . . 0.60999999999999999 109.471 179.802 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -141.32 138.57 33.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.2 -0.937 . . . . 0.57999999999999996 109.325 179.621 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.3 165.79 11.86 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.45 -0.781 . . . . 0.41999999999999998 109.069 179.817 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.3 tp -149.54 133.55 17.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.081 -1.012 . . . . 0.35999999999999999 109.885 -179.601 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.543 ' NE2' ' N ' ' A' ' 332' ' ' ILE . 1.4 tm0? -84.47 126.85 33.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 108.734 179.558 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.543 ' N ' ' NE2' ' A' ' 331' ' ' GLN . 41.7 mt -124.17 110.03 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 CA-C-O 121.575 0.702 . . . . 0.46999999999999997 109.755 -179.565 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.73 148.97 38.15 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.608 -0.683 . . . . 2.1000000000000001 109.412 179.44 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.39 132.52 5.52 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.214 -1.154 . . . . 0.41999999999999998 110.214 179.544 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.12 -43.09 16.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -1.092 . . . . 2.6800000000000002 109.172 179.587 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.51 -46.86 87.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.348 -0.845 . . . . 2.2200000000000002 109.637 -179.919 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.473 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 16.6 ttm-85 -63.32 -40.42 97.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.265 -0.897 . . . . 2.77 109.803 -179.614 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.6 -54.19 24.69 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.42999999999999999 109.449 179.973 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -52.73 -37.07 58.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.192 -0.942 . . . . 1.6599999999999999 109.802 179.928 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.5 -51.78 64.08 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.3 -0.875 . . . . 0.44 110.419 -179.453 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -60.04 -43.95 94.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.09 -1.007 . . . . 0.28999999999999998 109.115 -179.86 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.82 -43.31 58.92 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.234 -0.916 . . . . 2.4399999999999999 109.348 179.703 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.16 -51.11 71.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 1.74 109.765 -179.729 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.28 -39.06 85.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.125 -0.984 . . . . 0.29999999999999999 108.694 179.685 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.19 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.526 -0.734 . . . . 1.22 109.67 179.725 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.39 -34.87 78.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.343 -0.848 . . . . 1.72 110.096 -179.62 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.2 38.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.182 -0.949 . . . . 0.27000000000000002 110.159 -179.485 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.94 -38.94 87.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.296 -0.877 . . . . 0.28999999999999998 109.623 -179.613 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.95 -39.68 86.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.098 -1.001 . . . . 1.9099999999999999 108.743 179.226 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.4 tt -64.35 -47.34 79.68 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.608 -0.886 . . . . 0.40999999999999998 108.608 179.528 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.49 -45.66 91.04 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 122.03 0.919 . . . . 1.5600000000000001 108.91 179.423 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.02 -31.13 60.83 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.224 0.535 . . . . 1.4299999999999999 109.726 -179.786 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.51 85.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 0.66000000000000003 109.497 -179.964 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.437 ' NE2' HD11 ' B' ' 350' ' ' LEU . 24.6 mt-30 -81.42 -3.02 51.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.1799999999999999 109.715 -179.924 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 357' ' ' LYS . . . -69.88 -82.44 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 1.23 109.554 -179.872 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.51 84.21 0.02 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.605 -1.398 . . . . 1.54 109.605 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.449 ' CB ' ' NZ ' ' A' ' 357' ' ' LYS . 0.3 OUTLIER -85.93 121.81 29.1 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -1.146 . . . . 4.1799999999999997 109.642 -179.927 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.47 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 3.4 mt-10 -52.78 -52.26 66.22 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.252 -0.905 . . . . 5.71 110.413 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 5.7 Cg_exo -59.03 156.86 31.8 Favored 'Trans proline' 0 C--N 1.325 -0.695 0 C-N-CA 120.747 0.965 . . . . 5.6100000000000003 109.888 -179.576 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 109.517 -1.433 . . . . 7.2400000000000002 109.517 -179.982 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.308 0.575 . . . . 7.3399999999999999 109.451 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 321' ' ' LYS . 58.0 mttp 52.84 177.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 7.1699999999999999 109.672 179.938 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 320' ' ' LYS . 34.5 tttp 62.27 129.73 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.628 -0.67 . . . . 6.4400000000000004 109.333 -179.992 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.48 -172.2 0.05 OUTLIER 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 120.666 0.91 . . . . 4.54 109.98 179.792 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.8 mt -80.67 108.69 14.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.3 -0.875 . . . . 4.3200000000000003 109.471 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.03 -101.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.314 -0.866 . . . . 2.4700000000000002 109.823 -179.966 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.03 150.06 49.9 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.997 -1.241 . . . . 0.94999999999999996 109.997 -179.785 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.75 133.91 56.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -1.064 . . . . 1.6100000000000001 109.61 179.936 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 30.3 m-85 -95.17 151.06 19.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.266 -0.896 . . . . 0.56999999999999995 109.416 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -141.32 138.56 33.21 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.53000000000000003 109.32 179.517 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.22 165.83 11.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.469 -0.77 . . . . 0.38 109.105 179.791 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.56 133.61 17.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.068 -1.02 . . . . 0.35999999999999999 109.882 -179.701 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.545 ' NE2' ' N ' ' B' ' 332' ' ' ILE . 1.4 tm0? -84.48 126.94 33.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 1.3600000000000001 108.767 179.495 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.545 ' N ' ' NE2' ' B' ' 331' ' ' GLN . 41.6 mt -124.21 110.09 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 CA-C-O 121.639 0.733 . . . . 0.48999999999999999 109.733 -179.521 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.77 148.92 38.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 2.1000000000000001 109.377 179.434 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.153 -1.179 . . . . 0.44 110.153 179.462 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.14 -43.1 16.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -1.099 . . . . 2.7200000000000002 109.129 179.585 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.52 -46.94 87.4 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.265 -0.897 . . . . 2.21 109.598 -179.88 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.48 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 16.7 ttm-85 -63.29 -40.43 97.35 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.254 -0.904 . . . . 2.79 109.798 -179.516 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -50.55 -54.26 23.9 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.316 -0.865 . . . . 0.45000000000000001 109.395 179.979 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.83 -36.95 59.43 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 1.6799999999999999 109.727 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 37.0 ttp -63.52 -51.93 63.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 110.366 -179.472 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.86 -44.03 94.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.28000000000000003 109.134 -179.835 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.79 -43.32 58.64 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.292 -0.88 . . . . 2.52 109.39 179.732 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.09 -51.19 70.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.308 -0.87 . . . . 1.75 109.731 -179.758 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' B' ' 344' ' ' LEU . 36.9 mt -60.28 -39.03 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.147 -0.97 . . . . 0.31 108.703 179.729 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -59.22 -55.3 36.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.772 . . . . 1.21 109.684 179.751 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.31 -34.98 78.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 110.061 -179.653 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -55.35 36.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 110.175 -179.509 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -60.85 -39.04 87.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.185 -0.947 . . . . 0.29999999999999999 109.599 -179.559 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -59.98 -39.58 86.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.043 -1.036 . . . . 1.9299999999999999 108.763 179.214 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.509 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.4 tt -64.36 -47.17 80.33 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.58 -0.896 . . . . 0.40000000000000002 108.58 179.518 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.74 -45.79 91.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.321 -0.862 . . . . 1.5900000000000001 108.833 179.46 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -54.97 -31.02 60.4 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 116.126 -0.488 . . . . 1.4299999999999999 109.722 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.67 84.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.862 . . . . 0.65000000000000002 109.451 -179.939 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.31 -3.02 51.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 1.1899999999999999 109.717 -179.863 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' LYS . . . -69.84 -82.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 1.22 109.582 -179.932 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.59 84.28 0.02 OUTLIER Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.637 -1.385 . . . . 1.53 109.637 -179.901 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' B' ' 357' ' ' LYS . 0.3 OUTLIER -85.94 121.88 29.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -1.18 . . . . 4.21 109.538 -179.864 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.469 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 3.4 mt-10 -52.93 -52.24 66.93 Favored Pre-proline 0 N--CA 1.488 1.458 0 O-C-N 121.143 -0.973 . . . . 5.6799999999999997 110.412 179.971 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 5.5 Cg_exo -58.88 156.77 31.51 Favored 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 120.779 0.986 . . . . 5.5700000000000003 109.997 -179.702 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.969 -1.462 . . . . 7.2000000000000002 109.465 179.989 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.519 -0.549 . . . . 8.9600000000000009 109.519 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' C' ' 321' ' ' LYS . 57.9 mttp 52.89 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.318 -0.864 . . . . 8.1500000000000004 109.62 -179.996 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' C' ' 320' ' ' LYS . 34.5 tttp 62.27 129.67 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.611 -0.68 . . . . 7.1500000000000004 109.334 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.45 -172.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 120.66 0.907 . . . . 4.3499999999999996 110.009 179.748 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.67 108.76 14.59 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 4.6299999999999999 109.412 179.932 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.12 -101.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.31 -0.869 . . . . 2.8500000000000001 109.749 -179.969 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.11 150.09 49.82 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.883 -1.287 . . . . 1.1200000000000001 109.883 -179.65 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.81 133.83 56.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.385 -1.068 . . . . 2.1099999999999999 109.571 179.916 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 31.3 m-85 -95.11 151.09 19.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.252 -0.905 . . . . 0.64000000000000001 109.489 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -141.3 138.59 33.28 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.205 -0.934 . . . . 0.48999999999999999 109.326 179.601 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.32 165.8 11.85 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.504 -0.747 . . . . 0.46999999999999997 109.067 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.6 tp -149.55 133.58 17.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.41999999999999998 109.864 -179.646 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.532 ' NE2' ' N ' ' C' ' 332' ' ' ILE . 1.4 tm0? -84.43 126.84 33.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 1.8100000000000001 108.822 179.502 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.532 ' N ' ' NE2' ' C' ' 331' ' ' GLN . 41.4 mt -124.13 110.13 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 O-C-N 121.524 -0.735 . . . . 0.41999999999999998 109.725 -179.515 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -75.89 148.95 37.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.622 -0.673 . . . . 2.3500000000000001 109.424 179.427 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.43 132.64 5.57 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.172 -1.171 . . . . 0.40999999999999998 110.172 179.595 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.22 -43.04 16.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.126 . . . . 2.5899999999999999 109.179 179.529 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.318 -0.864 . . . . 2.54 109.614 -179.93 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.47 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 16.5 ttm-85 -63.3 -40.45 97.38 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.244 -0.91 . . . . 3.3900000000000001 109.808 -179.608 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -50.55 -54.26 23.86 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.217 -0.927 . . . . 0.46999999999999997 109.397 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -52.81 -36.98 59.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.918 . . . . 1.6599999999999999 109.726 -179.998 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.59 -51.77 63.86 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.286 -0.883 . . . . 0.60999999999999999 110.357 -179.421 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.03 -43.87 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.072 -1.018 . . . . 0.33000000000000002 109.181 -179.834 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.93 -43.23 60.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 3.2799999999999998 109.351 179.695 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.13 -51.15 70.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.416 -0.803 . . . . 1.78 109.775 -179.771 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.31 -39.06 85.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 0.38 108.718 179.692 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.1 -55.39 35.71 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.535 -0.728 . . . . 1.2 109.68 179.67 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.28 -35.03 79.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.373 -0.83 . . . . 2.1200000000000001 110.081 -179.614 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.57 -55.27 37.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.26000000000000001 110.19 -179.465 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.95 -38.98 87.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.306 -0.871 . . . . 0.40000000000000002 109.557 -179.596 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -59.9 -39.69 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 108.716 179.211 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.514 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.42 -47.03 80.68 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.591 -0.892 . . . . 0.75 108.591 179.612 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.81 -45.76 91.33 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.849 0.833 . . . . 2.1899999999999999 108.862 179.362 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -54.86 -31.08 59.24 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.241 0.543 . . . . 1.3400000000000001 109.807 -179.885 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.55 84.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.302 -0.873 . . . . 0.71999999999999997 109.451 -179.905 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.41 -2.96 51.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.342 -0.849 . . . . 1.8 109.713 -179.893 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' C' ' 357' ' ' LYS . . . -69.87 -82.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.18 -0.95 . . . . 1.3899999999999999 109.585 -179.934 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.57 84.25 0.02 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.646 -1.381 . . . . 1.6599999999999999 109.646 -179.905 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' C' ' 355' ' ' ALA . 0.3 OUTLIER -85.83 121.87 29.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.285 -1.127 . . . . 4.4500000000000002 109.618 -179.914 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 3.4 mt-10 -52.92 -52.25 66.88 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.229 -0.919 . . . . 6.1900000000000004 110.362 179.986 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 5.6 Cg_exo -59.02 156.83 31.93 Favored 'Trans proline' 0 C--N 1.323 -0.767 0 C-N-CA 120.674 0.916 . . . . 5.5800000000000001 109.95 -179.597 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 117.887 -1.507 . . . . 6.9000000000000004 109.521 -179.996 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.43 -0.582 . . . . 7.3600000000000003 109.43 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' D' ' 321' ' ' LYS . 57.8 mttp 52.82 177.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 7.1500000000000004 109.767 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' D' ' 320' ' ' LYS . 34.4 tttp 62.32 129.81 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.669 -0.644 . . . . 6.5 109.291 179.932 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.61 -172.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 120.679 0.919 . . . . 4.5 109.996 179.767 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -80.64 108.71 14.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 4.3200000000000003 109.402 179.913 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.06 -101.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 2.46 109.739 -179.954 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.1 150.1 49.85 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.841 -1.304 . . . . 0.96999999999999997 109.841 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.81 133.9 56.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.482 -1.01 . . . . 1.6699999999999999 109.591 179.905 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 31.3 m-85 -95.22 151.08 19.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 0.60999999999999999 109.366 179.877 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.34 138.57 33.18 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.158 -0.964 . . . . 0.56000000000000005 109.367 179.522 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -97.24 165.83 11.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.494 -0.754 . . . . 0.42999999999999999 109.105 179.854 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.4 tp -149.54 133.57 17.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.015 -1.053 . . . . 0.34999999999999998 109.889 -179.635 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' D' ' 332' ' ' ILE . 1.4 tm0? -84.51 126.91 33.72 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.344 -0.847 . . . . 1.3700000000000001 108.778 179.525 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.544 ' N ' ' NE2' ' D' ' 331' ' ' GLN . 41.6 mt -124.18 110.09 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.568 -0.707 . . . . 0.47999999999999998 109.777 -179.535 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -75.83 148.97 37.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.601 -0.687 . . . . 2.0800000000000001 109.405 179.477 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.41 132.6 5.55 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.181 -1.168 . . . . 0.40000000000000002 110.181 179.561 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -83.19 -43.13 16.49 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.387 -1.066 . . . . 2.6400000000000001 109.147 179.58 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.45 -46.95 87.32 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.646 -179.924 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.479 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 16.7 ttm-85 -63.34 -40.33 97.0 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.194 -0.941 . . . . 2.7400000000000002 109.795 -179.542 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -50.57 -54.28 23.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.3 -0.875 . . . . 0.42999999999999999 109.386 179.982 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -52.73 -37.03 58.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.255 -0.903 . . . . 1.6899999999999999 109.781 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.1 ttp -63.56 -51.84 63.64 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.249 -0.907 . . . . 0.42999999999999999 110.388 -179.4 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.87 -43.99 94.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.122 -0.986 . . . . 0.27000000000000002 109.169 -179.922 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -50.9 -43.3 59.75 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.19 -0.944 . . . . 2.4500000000000002 109.351 179.785 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.08 -51.17 70.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 1.75 109.754 -179.798 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.31 -39.09 85.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.146 -0.971 . . . . 0.31 108.652 179.749 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.13 -55.33 36.36 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.515 -0.74 . . . . 1.22 109.657 179.744 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.408 -0.808 . . . . 1.73 110.06 -179.638 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.62 -55.3 36.84 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.247 -0.908 . . . . 0.28000000000000003 110.168 -179.466 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.88 -38.98 87.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 0.31 109.625 -179.582 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -60.05 -39.55 86.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.9099999999999999 108.743 179.233 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.515 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.4 tt -64.53 -47.23 79.59 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.558 -0.904 . . . . 0.42999999999999999 108.558 179.535 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.62 -45.61 91.45 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.953 0.883 . . . . 1.5700000000000001 108.789 179.498 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -55.09 -31.02 60.88 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.154 0.502 . . . . 1.4399999999999999 109.695 -179.78 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.57 85.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 0.64000000000000001 109.525 179.961 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.443 ' NE2' HD11 ' C' ' 350' ' ' LEU . 24.6 mt-30 -81.38 -3.05 51.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.324 -0.86 . . . . 1.21 109.74 -179.954 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' D' ' 357' ' ' LYS . . . -69.83 -82.38 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 1.22 109.601 -179.935 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.51 84.2 0.02 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.618 -1.393 . . . . 1.5 109.618 -179.898 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' D' ' 357' ' ' LYS . 0.3 OUTLIER -85.94 121.95 29.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -1.151 . . . . 4.1799999999999997 109.556 -179.865 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.462 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 3.4 mt-10 -52.96 -52.19 67.55 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 5.6699999999999999 110.422 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 5.6 Cg_exo -58.95 156.79 31.77 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 120.759 0.973 . . . . 5.6500000000000004 110.007 -179.676 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.935 -1.48 . . . . 7.2699999999999996 109.436 179.994 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.506 -0.553 . . . . 7.3300000000000001 109.506 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.46 -82.2 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.42 -0.8 . . . . 7.21 109.743 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 319' ' ' LYS . 21.6 mtpp 51.99 68.32 3.29 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 6.4699999999999998 109.74 -179.781 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 324' ' ' ASP . 1.3 Cg_endo -64.91 6.77 0.32 Allowed 'Trans proline' 0 C--N 1.317 -1.079 0 C-N-CA 121.521 1.48 . . . . 4.5300000000000002 110.15 -179.833 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.5 mt -80.8 30.86 0.31 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 4.3499999999999996 109.377 -179.935 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 322' ' ' PRO . 15.0 m-20 -78.0 -161.75 0.28 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.602 -0.686 . . . . 2.48 109.673 -179.744 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.88 149.65 49.58 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.773 -1.331 . . . . 0.97999999999999998 109.773 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.53 142.55 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.385 -1.068 . . . . 1.7 109.525 179.935 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 37.0 m-85 -95.15 148.7 22.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.187 -0.946 . . . . 0.60999999999999999 109.72 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.82 137.72 33.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.319 -0.863 . . . . 0.57999999999999996 109.091 179.355 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.64 162.94 13.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.387 -0.82 . . . . 0.41999999999999998 108.905 179.832 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -149.13 132.08 16.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.089 -1.007 . . . . 0.35999999999999999 109.922 -179.364 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -84.18 125.51 32.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.975 179.436 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.97 116.3 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 121.599 -0.688 . . . . 0.46999999999999997 109.492 -179.663 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.51 34.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.932 . . . . 2.1000000000000001 109.922 179.902 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.73 137.67 2.42 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.518 -1.033 . . . . 0.41999999999999998 110.518 179.187 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -83.08 -46.38 12.87 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.372 -1.075 . . . . 2.6800000000000002 109.196 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.88 -45.7 85.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.135 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.24 -43.92 98.09 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.334 -0.854 . . . . 2.77 109.109 179.69 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -55.25 -58.45 7.65 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.643 -0.661 . . . . 0.42999999999999999 109.423 179.891 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.53 -35.48 40.81 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.277 -0.89 . . . . 1.6599999999999999 109.653 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 19.8 ttp -64.2 -53.71 45.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.44 110.163 -179.561 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -43.29 99.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.28999999999999998 108.998 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.54 -42.06 61.53 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.261 -0.899 . . . . 2.4399999999999999 109.328 179.694 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -60.68 -46.1 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 1.74 109.702 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.12 -45.02 96.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.318 -0.864 . . . . 0.29999999999999999 109.279 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.76 75.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 1.22 109.247 179.769 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.2 -36.95 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 1.72 109.427 179.904 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.64 -50.6 73.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.857 . . . . 0.27000000000000002 109.678 -179.791 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.74 -43.02 99.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -0.889 . . . . 0.28999999999999998 109.428 -179.953 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.73 -39.48 80.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.907 . . . . 1.9099999999999999 109.196 179.789 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.5 tt -63.65 -42.38 98.13 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.523 -0.917 . . . . 0.40999999999999998 108.523 179.652 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.494 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 0.9 OUTLIER -58.71 -52.14 66.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 1.5600000000000001 108.54 179.378 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.55 -29.1 64.11 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.837 -0.539 . . . . 1.4299999999999999 109.574 179.853 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.16 -30.71 71.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.196 -0.94 . . . . 0.66000000000000003 109.405 -179.747 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.451 ' NE2' HD11 ' B' ' 350' ' ' LEU . 24.1 mt-30 -83.54 -57.54 3.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.317 -0.864 . . . . 1.1799999999999999 109.538 179.718 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.02 2.93 3.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.233 -0.917 . . . . 1.23 109.847 -179.768 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.15 90.7 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.85 -1.3 . . . . 1.54 109.85 -179.762 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.52 122.32 30.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.19 -1.182 . . . . 4.1799999999999997 109.614 -179.892 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.54 112.18 2.45 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 5.71 109.369 -179.942 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.68 138.45 75.0 Favored 'Trans proline' 0 C--O 1.215 -0.631 0 C-N-CA 120.579 0.853 . . . . 5.6100000000000003 109.912 -179.873 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.013 -1.437 . . . . 7.2400000000000002 109.566 179.91 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.312 0.577 . . . . 7.3399999999999999 109.511 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.43 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.321 -0.862 . . . . 7.1699999999999999 109.73 -179.865 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' B' ' 319' ' ' LYS . 21.7 mtpp 51.83 68.48 3.18 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.101 -0.999 . . . . 6.4400000000000004 109.679 -179.777 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' B' ' 324' ' ' ASP . 1.3 Cg_endo -65.08 6.99 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.462 1.441 . . . . 4.54 110.1 -179.88 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.5 mt -80.95 30.83 0.31 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 4.3200000000000003 109.321 -179.931 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' B' ' 322' ' ' PRO . 15.0 m-20 -78.07 -161.81 0.29 Allowed 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.621 -0.674 . . . . 2.4700000000000002 109.638 -179.72 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 149.69 49.8 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.84 -1.304 . . . . 0.94999999999999996 109.84 -179.707 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.62 142.59 55.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -1.1 . . . . 1.6100000000000001 109.485 179.949 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 37.5 m-85 -95.19 148.68 22.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.22 -0.925 . . . . 0.56999999999999995 109.762 179.957 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -140.77 137.67 33.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.35 -0.844 . . . . 0.53000000000000003 109.092 179.4 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 46.7 p -96.61 162.86 13.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.383 -0.823 . . . . 0.38 108.997 179.756 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 45.7 tp -149.09 132.12 16.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.35999999999999999 109.909 -179.338 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.27 125.58 32.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.395 -0.815 . . . . 1.3600000000000001 108.96 179.477 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.3 mt -123.93 116.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.584 -0.698 . . . . 0.48999999999999999 109.545 -179.622 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -76.42 155.37 34.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.229 -0.919 . . . . 2.1000000000000001 109.997 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.81 137.75 2.48 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.493 -1.043 . . . . 0.44 110.493 179.238 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.19 -46.34 12.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.339 -1.095 . . . . 2.7200000000000002 109.181 179.508 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 -45.8 85.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.291 -0.88 . . . . 2.21 109.127 179.844 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -61.16 -43.94 98.1 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.289 -0.882 . . . . 2.79 109.131 179.705 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.24 -58.51 7.4 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.552 -0.718 . . . . 0.45000000000000001 109.415 179.889 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.37 -35.57 39.26 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.338 -0.851 . . . . 1.6799999999999999 109.63 -179.743 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.2 -53.8 43.56 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.42999999999999999 110.051 -179.423 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.28 -43.35 99.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 0.28000000000000003 109.036 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.45 -42.12 61.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.302 -0.874 . . . . 2.52 109.388 179.634 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.494 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 15.8 tp10 -60.65 -46.16 91.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.75 109.708 -179.912 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.07 -44.98 96.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.302 -0.874 . . . . 0.31 109.356 -179.986 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.48 -49.85 74.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.207 -0.933 . . . . 1.21 109.181 179.741 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.06 -36.94 83.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 109.521 179.884 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.7 -50.53 73.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.361 -0.837 . . . . 0.27000000000000002 109.713 -179.786 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.69 -43.11 99.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.895 . . . . 0.29999999999999999 109.43 -179.995 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.62 -39.54 80.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 1.9299999999999999 109.162 179.759 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.5 tt -63.54 -42.3 98.42 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.484 -0.932 . . . . 0.40000000000000002 108.484 179.666 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -52.24 66.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 1.5900000000000001 108.598 179.359 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.51 -29.07 64.01 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.186 0.517 . . . . 1.4299999999999999 109.617 179.786 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.79 71.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.65000000000000002 109.477 -179.745 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.467 ' NE2' HD11 ' A' ' 350' ' ' LEU . 24.0 mt-30 -83.51 -57.55 3.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.229 -0.92 . . . . 1.1899999999999999 109.568 179.716 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.99 2.93 3.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 1.22 109.82 -179.804 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.49 -3.12 90.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.827 -1.309 . . . . 1.53 109.827 -179.779 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.49 122.38 30.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -1.201 . . . . 4.21 109.597 -179.919 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.57 112.17 2.45 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.837 . . . . 5.6799999999999997 109.38 -179.962 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.62 138.42 75.18 Favored 'Trans proline' 0 C--O 1.215 -0.649 0 C-N-CA 120.679 0.92 . . . . 5.5700000000000003 109.884 -179.874 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.544 -1.423 . . . . 7.2000000000000002 109.544 179.874 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' C' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.262 0.553 . . . . 8.9600000000000009 109.509 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 57.35 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.372 -0.83 . . . . 8.1500000000000004 109.806 -179.897 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' C' ' 319' ' ' LYS . 21.6 mtpp 52.03 68.38 3.23 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.116 -0.99 . . . . 7.1500000000000004 109.652 -179.843 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' C' ' 324' ' ' ASP . 1.3 Cg_endo -65.03 6.93 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 121.481 1.454 . . . . 4.3499999999999996 110.159 -179.9 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.5 mt -80.86 30.8 0.31 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.157 -0.964 . . . . 4.6299999999999999 109.369 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' C' ' 322' ' ' PRO . 15.1 m-20 -77.99 -161.81 0.28 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.622 -0.674 . . . . 2.8500000000000001 109.67 -179.731 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 149.64 49.71 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.808 -1.317 . . . . 1.1200000000000001 109.808 -179.716 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.56 142.5 55.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.437 -1.037 . . . . 2.1099999999999999 109.546 179.924 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.4 m-85 -95.18 148.64 22.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.198 -0.939 . . . . 0.64000000000000001 109.792 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.74 137.67 33.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.48999999999999999 109.105 179.412 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.9 p -96.62 162.74 13.32 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.391 -0.818 . . . . 0.46999999999999997 108.963 179.814 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 45.5 tp -148.91 132.23 16.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.048 -1.032 . . . . 0.41999999999999998 109.923 -179.324 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -84.36 125.58 32.43 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.899 -0.778 . . . . 1.8100000000000001 108.899 179.507 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -123.91 116.31 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.597 -0.69 . . . . 0.41999999999999998 109.539 -179.675 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.51 155.49 33.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.219 -0.926 . . . . 2.3500000000000001 109.896 179.948 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.82 137.66 2.46 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.446 -1.062 . . . . 0.40999999999999998 110.446 179.164 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -83.17 -46.31 12.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.408 -1.054 . . . . 2.5899999999999999 109.226 179.528 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.8 -45.7 85.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.909 . . . . 2.54 109.187 179.755 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.25 -44.01 97.94 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.377 -0.827 . . . . 3.3900000000000001 109.091 179.721 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.22 -58.43 7.71 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.586 -0.696 . . . . 0.46999999999999997 109.425 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.43 -35.58 40.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.344 -0.848 . . . . 1.6599999999999999 109.607 -179.742 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.17 -53.8 43.65 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -0.958 . . . . 0.60999999999999999 110.057 -179.463 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.35 -43.28 99.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.976 . . . . 0.33000000000000002 108.985 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.59 -42.01 61.6 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.292 -0.88 . . . . 3.2799999999999998 109.386 179.692 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 15.6 tp10 -60.65 -46.19 91.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.29 -0.881 . . . . 1.78 109.641 -179.965 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.16 -45.04 96.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.38 109.26 -179.876 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -57.46 -49.81 75.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.249 -0.907 . . . . 1.2 109.184 179.763 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.04 -37.02 83.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.52 179.886 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.65 -50.5 73.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.26000000000000001 109.731 -179.76 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.79 -43.03 99.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.934 . . . . 0.40000000000000002 109.361 -179.954 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.67 -39.47 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.942 . . . . 2.0899999999999999 109.228 179.752 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.559 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.5 tt -63.52 -42.33 98.45 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.486 -0.931 . . . . 0.75 108.486 179.629 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -52.27 66.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 2.1899999999999999 108.598 179.366 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.46 -29.08 63.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.856 -0.528 . . . . 1.3400000000000001 109.619 179.781 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.73 71.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.71999999999999997 109.406 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.449 ' NE2' HD11 ' D' ' 350' ' ' LEU . 24.0 mt-30 -83.56 -57.59 3.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.276 -0.89 . . . . 1.8 109.491 179.733 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 2.79 3.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 1.3899999999999999 109.806 -179.755 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.4 -3.13 90.71 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.857 -1.297 . . . . 1.6599999999999999 109.857 -179.735 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.46 122.38 30.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.084 -1.245 . . . . 4.4500000000000002 109.631 -179.95 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.6 112.14 2.44 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.34 -0.85 . . . . 6.1900000000000004 109.333 -179.919 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.59 138.51 75.87 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 120.639 0.893 . . . . 5.5800000000000001 109.844 -179.885 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.958 -1.468 . . . . 6.9000000000000004 109.589 179.847 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' D' ' 321' ' ' LYS . 68.6 mttm . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.273 0.559 . . . . 7.3600000000000003 109.5 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp 57.42 -82.1 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 7.1500000000000004 109.777 -179.905 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' D' ' 319' ' ' LYS . 21.7 mtpp 51.91 68.43 3.21 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.07 -1.019 . . . . 6.5 109.673 -179.812 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' D' ' 324' ' ' ASP . 1.3 Cg_endo -65.05 6.92 0.31 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.453 1.435 . . . . 4.5 110.095 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.6 mt -80.86 30.82 0.31 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.294 -0.879 . . . . 4.3200000000000003 109.298 -179.919 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' D' ' 322' ' ' PRO . 15.1 m-20 -78.03 -161.83 0.29 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.683 -0.635 . . . . 2.46 109.615 -179.729 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 149.57 49.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.84 -1.304 . . . . 0.96999999999999997 109.84 -179.719 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -60.53 142.59 55.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -1.055 . . . . 1.6699999999999999 109.554 179.915 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 37.4 m-85 -95.24 148.63 22.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.275 -0.891 . . . . 0.60999999999999999 109.811 179.947 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -140.77 137.63 33.53 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.34 -0.85 . . . . 0.56000000000000005 109.097 179.445 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 47.1 p -96.53 162.82 13.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.363 -0.835 . . . . 0.42999999999999999 108.922 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 45.6 tp -148.99 132.23 16.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.048 -1.032 . . . . 0.34999999999999998 109.927 -179.396 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -84.33 125.61 32.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.449 -0.782 . . . . 1.3700000000000001 108.893 179.497 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.04 116.24 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.527 -0.733 . . . . 0.47999999999999998 109.512 -179.645 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -76.36 155.46 34.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 2.0800000000000001 109.913 179.919 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.76 137.66 2.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.476 -1.05 . . . . 0.40000000000000002 110.476 179.135 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -83.05 -46.34 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -1.075 . . . . 2.6400000000000001 109.232 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.84 -45.73 85.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.138 179.841 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.397 -0.815 . . . . 2.7400000000000002 109.099 179.758 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.17 -58.42 7.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.504 -0.748 . . . . 0.42999999999999999 109.467 179.876 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.56 -35.5 41.29 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.355 -0.841 . . . . 1.6899999999999999 109.621 -179.737 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.9 ttp -64.14 -53.84 43.16 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.287 -0.883 . . . . 0.42999999999999999 110.093 -179.514 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.29 -43.28 99.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.156 -0.965 . . . . 0.27000000000000002 109.055 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -51.49 -42.07 61.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.316 -0.865 . . . . 2.4500000000000002 109.426 179.653 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -60.69 -46.17 91.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 1.75 109.634 -179.906 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 44.8 mt -61.09 -44.99 96.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.234 -0.917 . . . . 0.31 109.302 -179.951 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -57.53 -49.74 75.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.166 -0.959 . . . . 1.22 109.179 179.794 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.1 -36.92 83.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.905 . . . . 1.73 109.517 179.845 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.75 -50.52 73.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.28000000000000003 109.695 -179.733 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.2 mt -61.76 -43.05 99.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.282 -0.886 . . . . 0.31 109.358 -179.971 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.74 -39.45 80.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.168 179.849 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.567 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.5 tt -63.69 -42.3 98.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 108.527 179.659 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.479 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 0.9 OUTLIER -58.83 -51.99 67.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.018 -1.051 . . . . 1.5700000000000001 108.605 179.403 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.6 -29.14 64.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.27 0.557 . . . . 1.4399999999999999 109.615 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.15 -30.66 71.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.195 -0.941 . . . . 0.64000000000000001 109.384 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.461 ' NE2' HD11 ' C' ' 350' ' ' LEU . 24.0 mt-30 -83.57 -57.63 3.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 1.21 109.491 179.763 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 2.85 3.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -0.878 . . . . 1.22 109.729 -179.723 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.36 -3.1 90.71 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.918 -1.273 . . . . 1.5 109.918 -179.814 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -86.59 122.38 30.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.092 -1.24 . . . . 4.1799999999999997 109.57 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -49.53 112.09 2.39 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.822 . . . . 5.6699999999999999 109.327 -179.9 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.64 138.41 75.04 Favored 'Trans proline' 0 C--O 1.215 -0.65 0 C-N-CA 120.591 0.861 . . . . 5.6500000000000004 109.941 -179.895 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.516 -1.433 . . . . 7.2699999999999996 109.516 179.955 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.442 -0.577 . . . . 7.3300000000000001 109.442 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 74.9 tttt 60.64 151.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.439 -0.788 . . . . 7.21 109.717 179.959 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.39 63.62 5.56 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 6.4699999999999998 110.077 -179.708 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.14 131.6 29.1 Favored 'Trans proline' 0 C--N 1.32 -0.942 0 C-N-CA 121.56 1.507 . . . . 4.5300000000000002 109.626 179.6 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.23 75.89 9.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.065 -1.022 . . . . 4.3499999999999996 109.597 179.76 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -84.9 -150.57 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.651 -0.656 . . . . 2.48 109.48 179.722 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.95 171.9 41.28 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.672 -1.371 . . . . 0.97999999999999998 109.672 179.662 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -59.94 137.23 58.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -1.161 . . . . 1.7 109.796 179.918 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.23 156.43 16.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.303 -0.873 . . . . 0.60999999999999999 109.254 179.665 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -137.33 -170.08 2.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.36 -0.837 . . . . 0.57999999999999996 109.23 179.624 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 34.2 p -153.51 147.11 25.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.151 -0.968 . . . . 0.41999999999999998 109.129 -179.961 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.2 136.72 33.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.438 -0.789 . . . . 0.35999999999999999 109.804 -179.048 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.67 33.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.701 -0.625 . . . . 1.3700000000000001 109.345 179.185 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -123.35 116.5 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.656 -0.868 . . . . 0.46999999999999997 108.656 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -73.75 152.8 40.25 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.32 -0.863 . . . . 2.1000000000000001 109.918 -179.577 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.46 141.07 2.67 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.095 -1.202 . . . . 0.41999999999999998 110.095 179.392 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.4 -48.62 11.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.378 -1.072 . . . . 2.6800000000000002 109.281 179.688 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.84 -37.56 74.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 109.047 179.841 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.96 -42.98 99.73 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.218 -0.926 . . . . 2.77 108.844 179.362 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.1 -56.05 25.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.552 -0.717 . . . . 0.42999999999999999 109.6 179.697 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.89 -38.46 56.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.863 . . . . 1.6599999999999999 109.756 -179.768 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.76 -53.07 59.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.289 -0.882 . . . . 0.44 110.087 -179.418 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.24 -45.79 93.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.147 -0.971 . . . . 0.28999999999999998 108.958 -179.934 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.32 -41.87 60.84 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.295 -0.878 . . . . 2.4399999999999999 109.352 179.788 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.96 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 1.74 109.848 -179.597 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.09 -40.4 93.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.207 -0.933 . . . . 0.29999999999999999 108.833 179.833 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.03 -53.73 55.07 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 1.22 109.432 179.488 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.17 -34.05 75.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.375 -0.828 . . . . 1.72 109.382 179.993 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.26 -48.38 80.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.27000000000000002 109.214 -179.985 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.51 -46.39 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.383 -0.823 . . . . 0.28999999999999998 109.353 179.588 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.1 -35.78 74.0 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.53 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.51 -51.7 61.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.878 . . . . 0.40999999999999998 109.569 -179.801 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.79 -43.93 97.52 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.433 -0.792 . . . . 1.5600000000000001 109.063 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -56.59 -33.43 66.21 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.68 179.885 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.59 -51.29 52.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 0.66000000000000003 109.815 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.69 1.81 28.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 1.1799999999999999 109.782 -179.77 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.15 -81.09 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.215 -0.928 . . . . 1.23 109.994 -179.742 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.64 9.27 0.64 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.209 -1.156 . . . . 1.54 110.209 -179.448 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 355' ' ' ALA . 78.9 tttt -86.14 49.42 1.78 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.29 . . . . 4.1799999999999997 109.132 179.91 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.82 155.54 1.95 Allowed Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.198 -0.939 . . . . 5.71 109.39 -179.482 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.73 -81.09 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.1 1.2 . . . . 5.6100000000000003 110.066 179.248 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 CA-C-O 117.916 -1.491 . . . . 7.2400000000000002 109.684 -179.684 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.401 -0.592 . . . . 7.3399999999999999 109.401 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 319' ' ' LYS . 75.0 tttt 60.65 151.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.342 -0.849 . . . . 7.1699999999999999 109.666 179.901 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.46 63.49 5.61 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.442 -0.786 . . . . 6.4400000000000004 110.056 -179.778 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.12 131.59 29.11 Favored 'Trans proline' 0 C--N 1.321 -0.902 0 C-N-CA 121.589 1.526 . . . . 4.54 109.597 179.626 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.24 75.89 9.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.095 -1.003 . . . . 4.3200000000000003 109.507 179.861 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.88 -150.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.607 -0.683 . . . . 2.4700000000000002 109.447 179.718 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 171.99 42.29 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.641 -1.384 . . . . 0.94999999999999996 109.641 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -59.96 137.1 58.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 1.6100000000000001 109.749 179.997 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.14 156.47 16.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.328 -0.857 . . . . 0.56999999999999995 109.323 179.569 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.33 -170.1 2.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.413 -0.804 . . . . 0.53000000000000003 109.218 179.609 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.6 p -153.57 147.04 24.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.301 -0.874 . . . . 0.38 109.136 -179.868 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.24 136.73 33.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.35999999999999999 109.751 -179.037 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -86.28 132.79 33.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.634 -0.666 . . . . 1.3600000000000001 109.287 179.197 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.42 116.5 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 108.672 -0.862 . . . . 0.48999999999999999 108.672 179.469 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.75 152.78 40.26 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.383 -0.823 . . . . 2.1000000000000001 109.94 -179.581 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.52 141.04 2.69 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.423 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -81.36 -48.62 11.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -1.057 . . . . 2.7200000000000002 109.257 179.712 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.81 -37.57 74.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.21 109.115 179.837 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -62.0 -42.92 99.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.203 -0.935 . . . . 2.79 108.835 179.45 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.08 -56.03 25.79 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.606 -0.684 . . . . 0.45000000000000001 109.622 179.659 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.81 -38.43 55.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.443 -0.786 . . . . 1.6799999999999999 109.869 -179.847 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.82 -53.07 59.97 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.174 -0.954 . . . . 0.42999999999999999 110.081 -179.439 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.27 -45.83 92.86 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.204 -0.935 . . . . 0.28000000000000003 108.949 -179.917 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.26 -41.84 60.67 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.279 -0.888 . . . . 2.52 109.47 179.731 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.94 -53.48 57.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.213 -0.93 . . . . 1.75 109.919 -179.685 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.1 -40.42 93.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.138 -0.976 . . . . 0.31 108.848 179.746 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.05 -53.74 54.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.401 -0.812 . . . . 1.21 109.412 179.534 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -61.97 -34.3 75.88 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 1.6899999999999999 109.423 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.13 -48.32 80.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 0.27000000000000002 109.231 -179.938 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.69 -46.16 89.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.358 -0.839 . . . . 0.29999999999999999 109.37 179.623 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.24 -35.77 74.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.9299999999999999 109.574 179.939 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.5 -51.75 61.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.40000000000000002 109.498 -179.81 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.75 -43.95 97.46 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.325 -0.859 . . . . 1.5900000000000001 109.061 -179.951 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.62 -33.28 66.13 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.494 -0.754 . . . . 1.4299999999999999 109.726 179.881 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.74 -51.22 51.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.65000000000000002 109.766 -179.681 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.75 1.81 28.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.245 -0.909 . . . . 1.1899999999999999 109.723 -179.758 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -70.23 -81.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.146 -0.971 . . . . 1.22 109.904 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.57 9.3 0.62 Allowed Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.226 -1.15 . . . . 1.53 110.226 -179.443 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' B' ' 355' ' ' ALA . 78.9 tttt -86.23 49.46 1.79 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.004 -1.292 . . . . 4.21 109.2 179.916 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.84 155.55 1.96 Allowed Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.281 -0.887 . . . . 5.6799999999999997 109.41 -179.462 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.76 -80.99 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 121.087 1.191 . . . . 5.5700000000000003 110.084 179.269 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.95 -1.472 . . . . 7.2000000000000002 109.712 -179.751 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' C' ' 320' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.385 -0.598 . . . . 8.9600000000000009 109.385 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' C' ' 319' ' ' LYS . 74.9 tttt 60.57 151.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.368 -0.833 . . . . 8.1500000000000004 109.712 179.943 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 61.3 tttm 56.44 63.58 5.55 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 7.1500000000000004 110.05 -179.739 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.7 Cg_endo -65.07 131.6 29.23 Favored 'Trans proline' 0 C--N 1.32 -0.933 0 C-N-CA 121.537 1.492 . . . . 4.3499999999999996 109.607 179.63 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.25 75.83 9.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 4.6299999999999999 109.523 179.776 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.82 -150.49 0.12 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.643 -0.661 . . . . 2.8500000000000001 109.494 179.654 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.04 172.1 41.21 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.661 -1.375 . . . . 1.1200000000000001 109.661 179.733 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -60.04 137.19 58.15 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -1.151 . . . . 2.1099999999999999 109.746 179.978 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.2 156.49 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.324 179.566 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -137.43 -170.07 2.66 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.451 -0.78 . . . . 0.48999999999999999 109.202 179.634 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 34.8 p -153.56 147.15 25.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -0.885 . . . . 0.46999999999999997 109.139 -179.876 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -140.4 136.67 33.33 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.736 -179.051 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -86.07 132.64 34.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.7 -0.625 . . . . 1.8100000000000001 109.45 179.133 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.4 mt -123.4 116.51 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 N-CA-C 108.672 -0.862 . . . . 0.41999999999999998 108.672 179.493 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.77 152.78 40.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.391 -0.818 . . . . 2.3500000000000001 109.954 -179.579 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.03 2.68 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.091 -1.204 . . . . 0.40999999999999998 110.091 179.361 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -81.42 -48.49 11.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.308 -1.113 . . . . 2.5899999999999999 109.281 179.735 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.87 -37.5 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 2.54 109.121 179.831 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -62.05 -42.88 99.65 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.225 -0.922 . . . . 3.3900000000000001 108.88 179.381 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -56.11 -56.02 25.98 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.526 -0.734 . . . . 0.46999999999999997 109.629 179.616 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -51.79 -38.53 55.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.6599999999999999 109.785 -179.869 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.84 -53.01 60.82 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.202 -0.936 . . . . 0.60999999999999999 110.084 -179.352 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.26 -45.83 92.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.121 -0.987 . . . . 0.33000000000000002 108.952 -179.996 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -51.3 -41.92 60.8 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.24 -0.912 . . . . 3.2799999999999998 109.389 179.766 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.91 -53.52 56.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.78 109.827 -179.567 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.07 -40.44 93.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.117 -0.989 . . . . 0.38 108.855 179.791 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.0 -53.75 54.88 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.486 -0.758 . . . . 1.2 109.393 179.495 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.1 -34.28 76.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.454 -0.779 . . . . 2.1200000000000001 109.394 -179.954 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.18 -48.23 80.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.833 . . . . 0.26000000000000001 109.25 -179.926 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.66 -46.35 88.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.367 -0.833 . . . . 0.40000000000000002 109.389 179.519 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -59.12 -35.7 73.92 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.361 -0.837 . . . . 2.0899999999999999 109.538 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.56 -51.59 62.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.847 . . . . 0.75 109.54 -179.748 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -62.86 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.286 -0.884 . . . . 2.1899999999999999 109.034 -179.96 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -56.65 -33.32 66.22 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.525 -0.735 . . . . 1.3400000000000001 109.664 179.898 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -51.16 52.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.102 -0.999 . . . . 0.71999999999999997 109.839 -179.67 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.462 HE22 HD11 ' D' ' 350' ' ' LEU . 24.8 mt-30 -80.75 1.76 28.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.341 -0.849 . . . . 1.8 109.756 -179.856 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -70.15 -81.14 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.952 . . . . 1.3899999999999999 109.952 -179.697 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.54 9.36 0.61 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.207 -1.157 . . . . 1.6599999999999999 110.207 -179.431 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' C' ' 355' ' ' ALA . 78.9 tttt -86.3 49.4 1.78 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.294 . . . . 4.4500000000000002 109.146 179.949 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.76 155.52 1.93 Allowed Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.2 -0.938 . . . . 6.1900000000000004 109.393 -179.459 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.66 -80.98 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.058 1.172 . . . . 5.5800000000000001 110.119 179.209 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 117.956 -1.469 . . . . 6.9000000000000004 109.693 -179.691 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' D' ' 320' ' ' LYS . 97.0 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.49 -0.559 . . . . 7.3600000000000003 109.49 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' D' ' 319' ' ' LYS . 74.9 tttt 60.61 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.449 -0.782 . . . . 7.1500000000000004 109.679 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 56.38 63.52 5.64 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 6.5 110.054 -179.72 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.03 131.59 29.27 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 C-N-CA 121.579 1.52 . . . . 4.5 109.626 179.589 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.25 75.8 9.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.039 -1.038 . . . . 4.3200000000000003 109.531 179.846 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -84.79 -150.52 0.12 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.672 -0.642 . . . . 2.46 109.525 179.668 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.1 172.07 41.47 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.635 -1.386 . . . . 0.96999999999999997 109.635 179.767 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -60.11 137.14 58.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -1.116 . . . . 1.6699999999999999 109.707 -179.949 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.11 156.56 16.26 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.286 -0.884 . . . . 0.60999999999999999 109.326 179.618 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -137.53 -170.15 2.68 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.368 -0.832 . . . . 0.56000000000000005 109.221 179.686 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 34.4 p -153.54 147.09 25.02 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.236 -0.915 . . . . 0.42999999999999999 109.167 -179.855 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 54.4 tp -140.3 136.69 33.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.508 -0.745 . . . . 0.34999999999999998 109.83 -179.057 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -86.24 132.75 33.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.695 -0.628 . . . . 1.3700000000000001 109.343 179.199 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.36 116.5 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 108.652 -0.87 . . . . 0.47999999999999998 108.652 179.528 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -73.83 152.78 40.17 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.481 -0.762 . . . . 2.0800000000000001 109.896 -179.544 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.5 141.12 2.7 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.06 -1.216 . . . . 0.40000000000000002 110.06 179.412 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.52 -48.43 11.84 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -1.078 . . . . 2.6400000000000001 109.357 179.678 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.93 -37.56 74.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 2.2200000000000002 109.027 179.793 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.226 -0.922 . . . . 2.7400000000000002 108.872 179.385 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -56.04 -55.95 26.66 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.551 -0.718 . . . . 0.42999999999999999 109.699 179.645 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -51.9 -38.42 56.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.524 -0.735 . . . . 1.6899999999999999 109.802 -179.864 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.91 -52.95 61.09 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.207 -0.933 . . . . 0.42999999999999999 110.093 -179.361 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.22 -45.8 93.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.126 -0.984 . . . . 0.27000000000000002 108.993 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -51.34 -41.82 60.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.313 -0.867 . . . . 2.4500000000000002 109.424 179.807 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.94 -53.55 56.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.229 -0.92 . . . . 1.75 109.884 -179.636 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.0 -40.47 93.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.162 -0.962 . . . . 0.31 108.813 179.761 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.99 -53.82 54.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.499 -0.75 . . . . 1.22 109.379 179.592 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.07 -34.13 75.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.372 -0.83 . . . . 1.73 109.419 -179.977 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.772 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.23 -48.27 80.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.273 -0.892 . . . . 0.28000000000000003 109.238 -179.944 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -46.5 88.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 0.31 109.361 179.537 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.99 -35.76 73.76 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.321 -0.862 . . . . 1.9099999999999999 109.528 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.462 HD11 HE22 ' C' ' 354' ' ' GLN . 58.0 tp -64.57 -51.61 61.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.42999999999999999 109.509 -179.685 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -43.92 97.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.331 -0.856 . . . . 1.5700000000000001 109.054 -179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -56.67 -33.3 66.25 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.522 -0.736 . . . . 1.4399999999999999 109.726 179.866 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.21 52.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.64000000000000001 109.78 -179.661 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.81 1.94 28.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.366 -0.834 . . . . 1.21 109.732 -179.802 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.3 -81.1 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 1.22 109.917 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.52 9.31 0.61 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.167 -1.173 . . . . 1.5 110.167 -179.451 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' D' ' 355' ' ' ALA . 78.9 tttt -86.24 49.43 1.79 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.286 . . . . 4.1799999999999997 109.158 179.944 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.71 155.52 1.9 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 5.6699999999999999 109.464 -179.504 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -59.73 -80.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 121.085 1.19 . . . . 5.6500000000000004 110.094 179.274 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 CA-C-O 117.936 -1.48 . . . . 7.2699999999999996 109.702 -179.741 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.265 0.555 . . . . 7.3300000000000001 109.524 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.1 167.13 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 7.21 109.422 179.891 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 323' ' ' LEU . 46.6 tttp 57.92 70.62 1.23 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.294 -0.879 . . . . 6.4699999999999998 109.551 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 324' ' ' ASP . 2.0 Cg_endo -64.17 4.88 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 121.489 1.459 . . . . 4.5300000000000002 110.029 -179.627 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.8 mt -82.23 30.29 0.4 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.186 -0.946 . . . . 4.3499999999999996 109.193 179.722 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 322' ' ' PRO . 26.2 m-20 -78.23 -126.52 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.737 -0.602 . . . . 2.48 110.205 -179.299 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.642 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -67.5 161.2 48.74 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.121 -1.192 . . . . 0.97999999999999998 110.121 -179.216 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.1 129.58 42.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.404 -1.056 . . . . 1.7 109.674 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.287 -0.883 . . . . 0.60999999999999999 109.594 179.878 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -138.99 139.65 37.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.352 -0.843 . . . . 0.57999999999999996 108.836 179.462 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 33.7 p -93.77 164.79 12.99 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.385 -0.822 . . . . 0.41999999999999998 109.164 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.65 14.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.156 -0.965 . . . . 0.35999999999999999 110.104 -179.243 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.15 127.25 33.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.3700000000000001 108.864 179.483 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.43 117.25 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 121.563 -0.711 . . . . 0.46999999999999997 109.76 -179.514 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.665 HH21 ' H ' ' C' ' 325' ' ' GLY . 19.2 ttt-85 -76.88 154.38 33.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 2.1000000000000001 109.62 179.474 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.37 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.336 -1.106 . . . . 0.41999999999999998 110.336 179.154 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' C' ' 326' ' ' GLU . 34.8 ttm180 -83.28 -47.4 11.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.345 -1.091 . . . . 2.6800000000000002 109.398 179.639 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.74 -42.38 93.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.958 . . . . 2.2200000000000002 109.418 179.9 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.51 -41.89 97.97 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.376 -0.828 . . . . 2.77 109.554 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.04 -55.75 27.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.695 . . . . 0.42999999999999999 109.791 -179.884 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.02 -38.06 49.04 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.272 -0.893 . . . . 1.6599999999999999 109.958 -179.661 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.92 -52.6 59.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.286 -0.884 . . . . 0.44 110.695 -179.152 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.72 -43.56 97.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.28999999999999998 109.279 -179.519 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.47 -43.65 62.19 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.201 -0.937 . . . . 2.4399999999999999 109.567 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.92 -46.36 91.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 1.74 109.971 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.7 mt -61.19 -42.56 98.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 0.29999999999999999 109.373 -179.755 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.58 -50.64 73.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.19 -0.944 . . . . 1.22 109.594 179.97 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.34 -34.88 78.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.89 . . . . 1.72 109.865 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.49 -50.43 73.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.27000000000000002 110.073 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.51 -43.75 98.31 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.28999999999999998 109.67 -179.719 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.55 -34.66 72.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.117 -0.989 . . . . 1.9099999999999999 109.433 179.938 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.6 tt -64.71 -51.2 63.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.371 -0.831 . . . . 0.40999999999999998 109.314 -179.883 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.03 -42.42 94.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.895 . . . . 1.5600000000000001 109.035 179.843 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.36 -46.05 80.17 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.504 -0.748 . . . . 1.4299999999999999 109.12 179.587 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.11 65.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.31 -0.869 . . . . 0.66000000000000003 109.193 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.481 ' NE2' HD11 ' B' ' 350' ' ' LEU . 5.5 tt0 -82.27 -3.12 54.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.876 . . . . 1.1799999999999999 109.585 179.993 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.38 -88.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.158 -0.964 . . . . 1.23 109.402 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.16 83.13 0.07 OUTLIER Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.488 -1.445 . . . . 1.54 109.488 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.34 151.74 23.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.2 -1.176 . . . . 4.1799999999999997 109.657 -179.814 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -51.29 152.31 4.39 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.858 . . . . 5.71 109.19 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.4 143.76 85.62 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 121.02 1.147 . . . . 5.6100000000000003 109.919 179.426 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.967 -1.463 . . . . 7.2400000000000002 109.512 179.903 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.522 -0.547 . . . . 7.3399999999999999 109.522 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.08 167.19 0.06 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.348 -0.845 . . . . 7.1699999999999999 109.381 179.887 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' B' ' 323' ' ' LEU . 46.5 tttp 57.9 70.55 1.25 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.299 -0.876 . . . . 6.4400000000000004 109.571 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -64.09 4.82 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.098 0 C-N-CA 121.557 1.505 . . . . 4.54 110.048 -179.664 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.7 mt -82.21 30.29 0.4 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.258 -0.901 . . . . 4.3200000000000003 109.148 179.739 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -78.34 -126.91 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.73 -0.606 . . . . 2.4700000000000002 110.09 -179.23 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.729 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -66.91 161.25 47.27 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.143 -1.183 . . . . 0.94999999999999996 110.143 -179.286 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' D' ' 335' ' ' ARG . 53.2 mt-10 -60.23 129.62 42.6 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.442 -1.034 . . . . 1.6100000000000001 109.699 179.948 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 32.2 m-85 -97.85 152.94 18.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.22 -0.925 . . . . 0.56999999999999995 109.625 179.928 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -138.88 139.74 38.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.283 -0.885 . . . . 0.53000000000000003 108.831 179.447 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 33.4 p -93.9 164.8 12.96 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.339 -0.851 . . . . 0.38 109.176 -179.783 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.72 14.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.35999999999999999 110.129 -179.201 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.2 33.8 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.854 -0.795 . . . . 1.3600000000000001 108.854 179.528 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.41 117.12 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.491 -0.756 . . . . 0.48999999999999999 109.829 -179.465 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.744 HH21 ' H ' ' D' ' 325' ' ' GLY . 19.3 ttt-85 -76.66 154.38 34.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.407 -0.808 . . . . 2.1000000000000001 109.607 179.508 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.94 137.24 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.386 -1.086 . . . . 0.44 110.386 179.124 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.17 -47.45 11.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.347 -1.09 . . . . 2.7200000000000002 109.409 179.585 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.75 -42.52 93.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.176 -0.952 . . . . 2.21 109.374 -179.989 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.31 -41.91 97.79 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.415 -0.803 . . . . 2.79 109.524 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.12 -55.7 28.16 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.493 -0.754 . . . . 0.45000000000000001 109.741 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.1 -38.06 49.55 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.198 -0.939 . . . . 1.6799999999999999 109.96 -179.642 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.8 -52.74 58.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.313 -0.867 . . . . 0.42999999999999999 110.689 -179.205 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.65 -43.52 97.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.06 -1.025 . . . . 0.28000000000000003 109.322 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.42 -43.85 62.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.251 -0.906 . . . . 2.52 109.489 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.86 -46.32 91.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.302 -0.873 . . . . 1.75 110.024 -179.673 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.1 -42.57 98.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.219 -0.926 . . . . 0.31 109.436 -179.835 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.57 -50.62 73.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 1.21 109.652 179.96 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -63.33 -34.9 78.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.185 -0.947 . . . . 1.6899999999999999 109.85 -179.817 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.58 -50.32 74.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 110.033 -179.51 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.63 -43.61 98.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.29999999999999999 109.686 -179.723 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.61 -34.6 72.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 1.9299999999999999 109.413 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.507 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.6 tt -64.71 -51.29 63.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.40000000000000002 109.28 -179.875 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -59.9 -42.51 94.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.21 -0.931 . . . . 1.5900000000000001 109.061 179.878 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.29 -46.09 79.91 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.108 -0.701 . . . . 1.4299999999999999 109.108 179.552 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.19 65.69 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.322 -0.861 . . . . 0.65000000000000002 109.201 179.788 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.496 ' NE2' HD11 ' A' ' 350' ' ' LEU . 5.5 tt0 -82.4 -2.94 54.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 1.1899999999999999 109.596 -179.993 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.35 -88.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 1.22 109.381 179.952 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.18 83.14 0.07 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.465 -1.454 . . . . 1.53 109.465 179.919 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.32 151.78 23.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.173 -1.193 . . . . 4.21 109.592 -179.806 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -51.23 152.22 4.34 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.395 -0.816 . . . . 5.6799999999999997 109.193 -179.852 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.31 143.74 84.85 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 121.109 1.206 . . . . 5.5700000000000003 109.868 179.378 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.505 -1.438 . . . . 7.2000000000000002 109.505 179.805 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.568 -0.53 . . . . 8.9600000000000009 109.568 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.1 167.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.35 -0.844 . . . . 8.1500000000000004 109.331 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' C' ' 323' ' ' LEU . 46.6 tttp 57.89 70.54 1.25 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.851 . . . . 7.1500000000000004 109.601 179.97 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -64.1 4.81 0.47 Allowed 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.591 1.527 . . . . 4.3499999999999996 109.991 -179.595 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.8 mt -82.18 30.24 0.4 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 4.6299999999999999 109.195 179.729 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -78.25 -126.67 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.72 -0.612 . . . . 2.8500000000000001 110.204 -179.309 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.665 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -67.19 161.2 48.05 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.159 -1.176 . . . . 1.1200000000000001 110.159 -179.282 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 335' ' ' ARG . 53.2 mt-10 -60.11 129.6 42.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.425 -1.044 . . . . 2.1099999999999999 109.7 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 32.3 m-85 -97.78 153.01 18.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.345 -0.847 . . . . 0.64000000000000001 109.639 179.874 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.94 139.65 38.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.48999999999999999 108.837 179.5 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.87 164.84 12.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.293 -0.879 . . . . 0.46999999999999997 109.219 -179.824 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.7 tp -149.22 130.61 14.73 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.222 -0.924 . . . . 0.41999999999999998 110.026 -179.117 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.11 127.22 33.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 1.8100000000000001 108.874 179.513 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.45 117.2 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 O-C-N 121.551 -0.718 . . . . 0.41999999999999998 109.753 -179.495 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.642 HH21 ' H ' ' A' ' 325' ' ' GLY . 19.3 ttt-85 -76.72 154.34 34.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.827 . . . . 2.3500000000000001 109.641 179.44 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 83.98 137.17 3.33 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.364 -1.094 . . . . 0.40999999999999998 110.364 179.126 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -83.22 -47.43 11.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -1.096 . . . . 2.5899999999999999 109.379 179.657 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.46 93.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.166 -0.958 . . . . 2.54 109.383 179.928 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.43 -41.93 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.353 -0.842 . . . . 3.3900000000000001 109.515 -179.946 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -55.02 -55.74 27.52 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.473 -0.767 . . . . 0.46999999999999997 109.745 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.06 -38.05 49.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 109.923 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttp -63.89 -52.75 58.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.253 -0.904 . . . . 0.60999999999999999 110.64 -179.102 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.61 -43.66 97.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.33000000000000002 109.239 -179.444 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.4 -43.74 62.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.228 -0.92 . . . . 3.2799999999999998 109.554 179.763 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.42 90.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 1.78 109.969 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -42.51 98.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.141 -0.974 . . . . 0.38 109.431 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -58.62 -50.61 73.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 1.2 109.572 -179.998 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -63.33 -34.93 78.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.973 . . . . 2.1200000000000001 109.877 -179.815 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.54 -50.36 74.05 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 0.26000000000000001 110.088 -179.554 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.55 -43.59 98.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -0.88 . . . . 0.40000000000000002 109.683 -179.774 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -59.7 -34.53 73.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.213 -0.93 . . . . 2.0899999999999999 109.473 179.987 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.515 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.71 -51.28 63.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.383 -0.823 . . . . 0.75 109.266 -179.904 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.02 -42.46 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 2.1899999999999999 109.059 179.885 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.28 -46.07 79.9 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.1 -0.704 . . . . 1.3400000000000001 109.1 179.549 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.18 -26.12 65.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.358 -0.839 . . . . 0.71999999999999997 109.178 179.793 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.494 ' NE2' HD11 ' D' ' 350' ' ' LEU . 5.5 tt0 -82.32 -3.02 54.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.379 -0.826 . . . . 1.8 109.56 -179.998 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.45 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.108 -0.995 . . . . 1.3899999999999999 109.367 -179.971 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.19 83.13 0.07 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.481 -1.448 . . . . 1.6599999999999999 109.481 179.931 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.27 151.68 23.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -1.145 . . . . 4.4500000000000002 109.679 -179.837 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -51.27 152.22 4.42 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 6.1900000000000004 109.206 -179.776 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.32 143.81 84.72 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 120.955 1.103 . . . . 5.5800000000000001 109.961 179.432 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.464 -1.454 . . . . 6.9000000000000004 109.464 179.876 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.259 0.552 . . . . 7.3600000000000003 109.554 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt 59.05 167.19 0.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.271 -0.893 . . . . 7.1500000000000004 109.42 179.92 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' D' ' 323' ' ' LEU . 46.7 tttp 57.84 70.61 1.24 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.242 -0.911 . . . . 6.5 109.56 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -64.12 4.85 0.47 Allowed 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.511 1.474 . . . . 4.5 110.013 -179.627 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.466 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.7 mt -82.08 30.15 0.4 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 4.3200000000000003 109.205 179.648 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.24 -126.67 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.684 -0.635 . . . . 2.46 110.184 -179.219 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.744 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -67.28 161.3 48.15 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.154 -1.178 . . . . 0.96999999999999997 110.154 -179.249 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.21 129.58 42.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.422 -1.046 . . . . 1.6699999999999999 109.701 -179.944 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 32.2 m-85 -97.77 152.99 18.58 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.227 -0.92 . . . . 0.60999999999999999 109.69 179.879 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -138.94 139.67 38.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.294 -0.878 . . . . 0.56000000000000005 108.822 179.479 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 33.6 p -93.84 164.78 12.98 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 109.187 -179.761 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -149.11 130.75 14.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.186 -0.946 . . . . 0.34999999999999998 110.044 -179.18 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -84.23 127.19 33.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.409 -0.807 . . . . 1.3700000000000001 108.869 179.495 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.41 117.23 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.533 -0.729 . . . . 0.47999999999999998 109.731 -179.474 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.729 HH21 ' H ' ' B' ' 325' ' ' GLY . 19.4 ttt-85 -76.74 154.33 34.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.388 -0.82 . . . . 2.0800000000000001 109.647 179.446 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.05 137.18 3.36 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.331 -1.108 . . . . 0.40000000000000002 110.331 179.076 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' B' ' 326' ' ' GLU . 34.9 ttm180 -83.23 -47.45 11.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.39 -1.065 . . . . 2.6400000000000001 109.348 179.679 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.71 -42.54 93.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.366 179.983 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -61.35 -41.96 97.91 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.319 -0.863 . . . . 2.7400000000000002 109.496 -179.954 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -55.06 -55.73 27.75 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.577 -0.702 . . . . 0.42999999999999999 109.75 -179.794 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -51.07 -38.03 49.21 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.224 -0.923 . . . . 1.6899999999999999 109.954 -179.623 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.87 -52.71 58.76 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.238 -0.914 . . . . 0.42999999999999999 110.711 -179.206 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.57 -43.71 96.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.12 -0.987 . . . . 0.27000000000000002 109.277 -179.55 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -51.4 -43.71 62.01 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.279 -0.888 . . . . 2.4500000000000002 109.518 179.768 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.86 -46.48 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.308 -0.87 . . . . 1.75 109.947 -179.748 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.12 -42.58 98.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.31 109.414 -179.75 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -58.47 -50.7 72.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.2 -0.938 . . . . 1.22 109.651 179.912 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -63.28 -34.9 78.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 1.73 109.863 -179.813 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.527 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.52 -50.36 74.06 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 0.28000000000000003 110.095 -179.567 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.6 -43.51 98.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.31 109.695 -179.667 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.71 -34.65 73.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.432 179.954 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.516 HD23 ' O ' ' D' ' 350' ' ' LEU . 1.6 tt -64.66 -51.26 63.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.328 -179.916 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.04 -42.4 94.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 1.5700000000000001 109.015 179.915 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.37 -46.08 80.2 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.065 -0.717 . . . . 1.4399999999999999 109.065 179.612 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.1 -26.18 65.69 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.358 -0.839 . . . . 0.64000000000000001 109.223 179.777 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.489 ' NE2' HD11 ' C' ' 350' ' ' LEU . 5.5 tt0 -82.26 -3.02 54.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 1.21 109.548 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.44 -88.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.181 -0.95 . . . . 1.22 109.394 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.18 83.12 0.07 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.447 -1.461 . . . . 1.5 109.447 179.911 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -85.23 151.74 23.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.256 -1.144 . . . . 4.1799999999999997 109.629 -179.845 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -51.28 152.22 4.44 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 5.6699999999999999 109.187 -179.822 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -56.3 143.78 84.62 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.035 1.156 . . . . 5.6500000000000004 109.913 179.395 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.486 -1.445 . . . . 7.2699999999999996 109.486 179.832 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 321' ' ' LYS . 29.3 mmtp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.326 -0.62 . . . . 7.3300000000000001 109.326 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 321' ' ' LYS . 64.6 mmtt 60.85 -5.78 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.462 -0.773 . . . . 7.21 110.237 179.973 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' A' ' 319' ' ' LYS . 79.4 mttt 57.59 118.72 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.443 -0.786 . . . . 6.4699999999999998 109.954 179.835 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 321' ' ' LYS . 5.7 Cg_exo -58.25 -161.34 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.69 0 N-CA-C 109.315 -1.071 . . . . 4.5300000000000002 109.315 179.776 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 323' ' ' LEU . 3.2 mm? -80.49 84.91 6.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.989 -1.069 . . . . 4.3499999999999996 109.199 179.942 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.88 155.88 21.51 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.758 -0.589 . . . . 2.48 109.517 179.834 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.09 153.75 52.99 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.111 -1.596 . . . . 0.97999999999999998 109.111 179.58 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.49 135.57 57.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.243 -1.151 . . . . 1.7 109.421 -179.917 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.336 -0.853 . . . . 0.60999999999999999 109.762 -179.815 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.658 ' H ' HE21 ' C' ' 331' ' ' GLN . 83.3 m-85 -138.39 -173.96 3.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.374 -0.829 . . . . 0.57999999999999996 109.332 179.946 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 45.8 p -149.73 147.97 28.69 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.569 -0.9 . . . . 0.41999999999999998 108.569 179.99 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 67.5 tp -141.18 134.21 29.2 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.834 . . . . 0.35999999999999999 109.913 -178.565 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.664 HE21 ' H ' ' C' ' 328' ' ' PHE . 7.5 tm0? -84.72 127.36 34.07 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.312 -0.996 . . . . 1.3700000000000001 108.312 179.137 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.52 112.25 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.431 -0.793 . . . . 0.46999999999999997 109.064 -179.406 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -75.52 149.99 38.26 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.532 -0.73 . . . . 2.1000000000000001 109.863 -179.88 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.98 134.33 5.97 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.883 -1.287 . . . . 0.41999999999999998 109.883 179.529 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.6 -48.43 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.349 -1.089 . . . . 2.6800000000000002 109.419 179.785 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.86 -44.16 90.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.37 -0.831 . . . . 2.2200000000000002 109.359 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.246 -0.909 . . . . 2.77 109.233 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.83 -56.68 16.77 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.42999999999999999 109.667 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.61 -39.25 57.65 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.294 -0.879 . . . . 1.6599999999999999 109.728 -179.807 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.12 -51.94 64.51 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.273 -0.892 . . . . 0.44 110.155 -179.237 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.96 -46.57 90.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.109 -0.994 . . . . 0.28999999999999998 108.899 -179.8 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.69 -43.15 62.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 2.4399999999999999 109.5 179.74 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.72 -45.45 92.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.317 -0.864 . . . . 1.74 110.093 -179.579 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.51 -42.49 96.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 109.221 -179.985 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.72 -52.7 64.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.357 -0.839 . . . . 1.22 109.323 179.707 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.42 ' CD ' ' HZ2' ' B' ' 351' ' ' LYS . 79.4 tt0 -63.51 -35.9 81.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.351 -0.843 . . . . 1.72 109.752 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.49 57.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.2 -0.937 . . . . 0.27000000000000002 109.898 -179.601 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.06 -43.59 98.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.933 . . . . 0.28999999999999998 109.296 -179.882 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -58.99 -35.68 73.63 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.9099999999999999 109.143 179.87 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.527 ' O ' ' NE2' ' A' ' 354' ' ' GLN . 23.7 tp -63.8 -44.19 94.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.435 -0.791 . . . . 0.40999999999999998 109.329 179.874 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.99 -42.82 99.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 1.5600000000000001 108.763 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -57.74 -29.51 64.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.388 179.547 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.79 84.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.381 -0.824 . . . . 0.66000000000000003 109.911 -179.734 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 350' ' ' LEU . 3.9 mp0 -80.99 -5.14 57.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.1799999999999999 109.39 -179.819 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.69 -6.41 40.95 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.137 -0.977 . . . . 1.23 109.347 179.713 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 -1.85 88.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.621 -1.392 . . . . 1.54 109.621 -179.933 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -85.66 124.44 32.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.213 -1.169 . . . . 4.1799999999999997 109.489 -179.857 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -48.6 115.62 4.49 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.279 -0.888 . . . . 5.71 109.243 179.878 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -59.4 139.1 88.04 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.743 -0.907 . . . . 5.6100000000000003 109.743 -179.783 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 118.002 -1.443 . . . . 7.2400000000000002 109.568 -179.865 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' C ' ' H ' ' B' ' 321' ' ' LYS . 29.3 mmtp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.385 -0.598 . . . . 7.3399999999999999 109.385 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' B' ' 321' ' ' LYS . 64.7 mmtt 60.77 -5.72 0.1 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 7.1699999999999999 110.21 -179.936 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' B' ' 319' ' ' LYS . 79.4 mttt 57.57 118.8 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.623 -0.673 . . . . 6.4400000000000004 109.918 179.814 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.36 -161.34 0.02 OUTLIER 'Trans proline' 0 C--O 1.214 -0.689 0 N-CA-C 109.302 -1.076 . . . . 4.54 109.302 179.806 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.514 ' N ' HD22 ' B' ' 323' ' ' LEU . 3.2 mm? -80.47 84.93 5.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.986 -1.071 . . . . 4.3200000000000003 109.181 179.923 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.84 155.87 21.57 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.793 -0.567 . . . . 2.4700000000000002 109.559 179.738 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 153.84 53.1 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.16 -1.576 . . . . 0.94999999999999996 109.16 179.496 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.58 135.49 57.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.191 -1.182 . . . . 1.6100000000000001 109.387 -179.904 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -93.88 145.88 24.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.726 -179.803 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.645 ' H ' HE21 ' D' ' 331' ' ' GLN . 83.4 m-85 -138.35 -173.94 3.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.53000000000000003 109.338 179.996 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 45.5 p -149.7 148.08 28.83 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.542 -0.91 . . . . 0.38 108.542 179.984 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.32 134.16 28.87 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.379 -0.826 . . . . 0.35999999999999999 109.776 -178.524 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.677 HE21 ' H ' ' D' ' 328' ' ' PHE . 7.6 tm0? -84.68 127.37 34.05 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.326 -0.991 . . . . 1.3600000000000001 108.326 179.085 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.7 mt -123.48 112.23 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.399 -0.813 . . . . 0.48999999999999999 109.184 -179.473 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.53 149.97 38.26 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.73 . . . . 2.1000000000000001 109.816 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.35 5.98 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.921 -1.272 . . . . 0.44 109.921 179.498 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.63 -48.48 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -1.112 . . . . 2.7200000000000002 109.318 179.882 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.8 -44.13 90.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.288 -0.883 . . . . 2.21 109.409 179.91 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.57 -42.42 99.54 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.216 -0.928 . . . . 2.79 109.253 179.874 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -54.79 -56.68 16.75 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.514 -0.741 . . . . 0.45000000000000001 109.69 -179.929 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.65 -39.23 57.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.841 . . . . 1.6799999999999999 109.789 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.14 -51.9 64.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.42999999999999999 110.191 -179.321 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.95 -46.6 90.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.28000000000000003 108.899 -179.856 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.59 -43.2 62.4 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.368 -0.832 . . . . 2.52 109.573 179.716 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -59.68 -45.55 91.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.912 . . . . 1.75 109.968 -179.563 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.56 -42.43 96.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.131 -0.981 . . . . 0.31 109.177 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.75 -52.66 64.75 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.23 -0.919 . . . . 1.21 109.365 179.684 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.5 -35.98 82.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 1.6899999999999999 109.729 -179.945 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.65 55.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 0.27000000000000002 109.919 -179.627 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.11 -43.5 98.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.96 . . . . 0.29999999999999999 109.24 -179.785 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -59.0 -35.7 73.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 1.9299999999999999 109.239 179.753 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' B' ' 354' ' ' GLN . 23.7 tp -63.8 -44.2 94.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.307 -0.871 . . . . 0.40000000000000002 109.25 179.832 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ2' ' CD ' ' A' ' 346' ' ' GLU . 11.5 ttmm -61.0 -42.96 99.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 1.5900000000000001 108.792 179.911 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.63 -29.46 64.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.579 -0.7 . . . . 1.4299999999999999 109.416 179.458 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.79 84.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.65000000000000002 109.873 -179.668 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' B' ' 350' ' ' LEU . 3.9 mp0 -80.96 -5.08 57.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 1.1899999999999999 109.388 -179.833 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -6.42 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.955 . . . . 1.22 109.257 179.782 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.16 -1.88 88.25 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.605 -1.398 . . . . 1.53 109.605 -179.914 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.64 124.44 32.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.18 -1.188 . . . . 4.21 109.556 -179.891 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -48.66 115.65 4.56 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.326 -0.859 . . . . 5.6799999999999997 109.164 179.982 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -59.34 138.95 87.48 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 N-CA-C 109.774 -0.895 . . . . 5.5700000000000003 109.774 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 117.962 -1.466 . . . . 7.2000000000000002 109.532 -179.929 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' C' ' 321' ' ' LYS . 29.2 mmtp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.381 -0.6 . . . . 8.9600000000000009 109.381 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' C' ' 321' ' ' LYS . 64.7 mmtt 60.77 -5.67 0.1 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.494 -0.754 . . . . 8.1500000000000004 110.226 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' C' ' 319' ' ' LYS . 79.6 mttt 57.47 118.77 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.503 -0.748 . . . . 7.1500000000000004 109.948 179.859 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.29 -161.33 0.02 OUTLIER 'Trans proline' 0 C--O 1.215 -0.645 0 N-CA-C 109.325 -1.067 . . . . 4.3499999999999996 109.325 179.811 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 3.2 mm? -80.5 84.94 6.0 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.984 -1.073 . . . . 4.6299999999999999 109.18 179.951 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 155.86 21.62 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.744 -0.598 . . . . 2.8500000000000001 109.495 179.78 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.96 153.84 53.09 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.149 -1.58 . . . . 1.1200000000000001 109.149 179.472 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.65 135.53 57.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.209 -1.171 . . . . 2.1099999999999999 109.41 -179.958 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -93.96 145.91 24.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.902 . . . . 0.64000000000000001 109.719 -179.748 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.664 ' H ' HE21 ' A' ' 331' ' ' GLN . 83.4 m-85 -138.3 -173.93 3.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.421 -0.799 . . . . 0.48999999999999999 109.343 179.993 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 45.6 p -149.74 148.1 28.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.557 -0.905 . . . . 0.46999999999999997 108.557 179.892 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 67.4 tp -141.29 134.24 29.05 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.368 -0.832 . . . . 0.41999999999999998 109.825 -178.534 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.658 HE21 ' H ' ' A' ' 328' ' ' PHE . 7.6 tm0? -84.73 127.42 34.1 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.342 -0.984 . . . . 1.8100000000000001 108.342 179.073 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.2 mt -123.55 112.15 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.486 -0.759 . . . . 0.41999999999999998 109.174 -179.421 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -75.5 150.01 38.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.543 -0.723 . . . . 2.3500000000000001 109.874 -179.791 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.94 134.36 5.96 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.922 -1.271 . . . . 0.40999999999999998 109.922 179.554 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -79.58 -48.43 13.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.423 -1.045 . . . . 2.5899999999999999 109.369 179.845 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -58.89 -44.16 91.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.845 . . . . 2.54 109.332 179.898 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -62.63 -42.3 99.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.339 -0.85 . . . . 3.3900000000000001 109.283 179.907 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.86 -56.64 17.28 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.513 -0.742 . . . . 0.46999999999999997 109.637 -179.954 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.73 -39.17 57.96 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.42 -0.8 . . . . 1.6599999999999999 109.783 -179.753 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.15 -51.86 64.76 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.293 -0.879 . . . . 0.60999999999999999 110.244 -179.286 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.01 -46.56 90.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.33000000000000002 108.904 -179.884 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.63 -43.11 62.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.307 -0.87 . . . . 3.2799999999999998 109.527 179.701 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -59.84 -45.42 92.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.78 110.0 -179.539 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.61 -42.3 96.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -0.943 . . . . 0.38 109.241 -179.942 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -58.88 -52.59 65.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.267 -0.895 . . . . 1.2 109.356 179.673 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -63.48 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 2.1200000000000001 109.764 -179.964 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.55 56.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.26000000000000001 109.958 -179.605 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.01 -43.44 98.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.176 -0.952 . . . . 0.40000000000000002 109.377 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.02 -35.74 73.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.218 179.779 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.528 ' O ' ' NE2' ' C' ' 354' ' ' GLN . 23.9 tp -63.85 -44.12 94.09 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 0.75 109.25 179.937 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.427 ' HZ2' ' CD ' ' D' ' 346' ' ' GLU . 11.5 ttmm -61.04 -42.93 99.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.335 -0.853 . . . . 2.1899999999999999 108.755 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -57.67 -29.44 64.64 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.666 -0.646 . . . . 1.3400000000000001 109.452 179.486 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.74 84.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.71999999999999997 109.92 -179.668 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 350' ' ' LEU . 3.9 mp0 -80.9 -5.18 57.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.161 -0.962 . . . . 1.8 109.467 -179.938 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.71 -6.4 40.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.973 . . . . 1.3899999999999999 109.317 179.763 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.15 -1.85 88.29 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.64 -1.384 . . . . 1.6599999999999999 109.64 -179.908 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.66 124.44 32.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -1.18 . . . . 4.4500000000000002 109.567 -179.913 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -48.62 115.66 4.54 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 6.1900000000000004 109.18 179.957 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -59.43 139.0 87.49 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 N-CA-C 109.703 -0.922 . . . . 5.5800000000000001 109.703 -179.839 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.462 -1.455 . . . . 6.9000000000000004 109.462 -179.961 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' D' ' 321' ' ' LYS . 29.2 mmtp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.407 -0.59 . . . . 7.3600000000000003 109.407 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' D' ' 321' ' ' LYS . 64.6 mmtt 60.79 -5.73 0.1 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.539 -0.725 . . . . 7.1500000000000004 110.269 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' D' ' 319' ' ' LYS . 79.4 mttt 57.53 118.72 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 6.5 109.976 179.83 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -58.25 -161.32 0.02 OUTLIER 'Trans proline' 0 C--O 1.215 -0.638 0 N-CA-C 109.336 -1.063 . . . . 4.5 109.336 179.821 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 3.2 mm? -80.47 84.91 5.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.006 -1.058 . . . . 4.3200000000000003 109.199 179.909 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.92 155.89 21.47 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.775 -0.578 . . . . 2.46 109.468 179.848 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.95 153.82 53.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.18 -1.568 . . . . 0.96999999999999997 109.18 179.482 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.55 135.51 57.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.158 -1.201 . . . . 1.6699999999999999 109.411 -179.962 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.96 145.87 24.33 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.26 -0.9 . . . . 0.60999999999999999 109.728 -179.81 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.677 ' H ' HE21 ' B' ' 331' ' ' GLN . 83.3 m-85 -138.26 -173.9 3.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.382 -0.824 . . . . 0.56000000000000005 109.302 179.995 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 45.1 p -149.76 148.05 28.75 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.528 -0.916 . . . . 0.42999999999999999 108.528 179.938 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.6 tp -141.25 134.21 29.07 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.315 -0.865 . . . . 0.34999999999999998 109.848 -178.554 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.645 HE21 ' H ' ' B' ' 328' ' ' PHE . 7.6 tm0? -84.72 127.39 34.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.28 -1.008 . . . . 1.3700000000000001 108.28 179.12 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.45 112.32 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.483 -0.761 . . . . 0.47999999999999998 109.196 -179.549 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -75.65 150.06 38.04 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.545 -0.722 . . . . 2.0800000000000001 109.819 -179.758 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.99 134.37 5.99 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.889 -1.284 . . . . 0.40000000000000002 109.889 179.556 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -79.71 -48.41 13.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.37 -1.077 . . . . 2.6400000000000001 109.357 179.787 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -44.16 90.96 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 2.2200000000000002 109.341 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -62.6 -42.29 99.48 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.242 -0.911 . . . . 2.7400000000000002 109.294 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.9 -56.69 16.81 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.578 -0.702 . . . . 0.42999999999999999 109.591 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -51.69 -39.18 57.82 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.773 -179.749 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -63.04 -51.98 64.65 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.201 -0.937 . . . . 0.42999999999999999 110.229 -179.374 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -60.95 -46.62 89.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.065 -1.022 . . . . 0.27000000000000002 108.932 -179.859 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -51.59 -43.18 62.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.344 -0.848 . . . . 2.4500000000000002 109.567 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.73 -45.43 92.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.312 -0.868 . . . . 1.75 110.037 -179.571 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.65 -42.41 96.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.31 109.197 -179.931 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -58.73 -52.69 64.62 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.309 -0.869 . . . . 1.22 109.34 179.697 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.427 ' CD ' ' HZ2' ' C' ' 351' ' ' LYS . 79.4 tt0 -63.46 -35.99 82.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 1.73 109.757 -179.946 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.49 57.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 0.28000000000000003 109.976 -179.628 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -61.1 -43.55 98.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.31 109.293 -179.934 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.97 -35.74 73.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.17 179.818 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' D' ' 354' ' ' GLN . 23.8 tp -63.8 -44.16 94.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.381 -0.825 . . . . 0.42999999999999999 109.324 179.875 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.03 -42.81 99.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.318 -0.864 . . . . 1.5700000000000001 108.773 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -57.72 -29.52 64.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.35 179.493 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.85 84.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.64000000000000001 109.879 -179.685 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' D' ' 350' ' ' LEU . 3.9 mp0 -80.84 -5.21 56.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.173 -0.955 . . . . 1.21 109.415 -179.877 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -6.28 40.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.172 -0.955 . . . . 1.22 109.334 179.772 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.19 -1.87 88.2 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.611 -1.396 . . . . 1.5 109.611 -179.96 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -85.68 124.43 32.2 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.206 -1.173 . . . . 4.1799999999999997 109.541 -179.838 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -48.61 115.66 4.53 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.363 -0.835 . . . . 5.6699999999999999 109.171 179.955 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -59.38 139.01 87.68 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 N-CA-C 109.769 -0.897 . . . . 5.6500000000000004 109.769 -179.886 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.471 -1.451 . . . . 7.2699999999999996 109.471 -179.952 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 320' ' ' LYS . 94.8 mttt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.408 -0.59 . . . . 7.3300000000000001 109.408 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 319' ' ' LYS . 34.5 mttp 60.32 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.655 -0.653 . . . . 7.21 109.778 -179.743 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 321' ' ' LYS . 4.3 mptp? 49.78 69.01 2.92 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 6.4699999999999998 109.176 -179.962 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -59.6 -80.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 121.471 1.447 . . . . 4.5300000000000002 109.469 -179.598 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 12.8 mt -80.6 114.84 19.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.068 -1.02 . . . . 4.3499999999999996 109.635 -179.928 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.62 -149.53 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.306 -0.871 . . . . 2.48 109.479 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 167.51 45.1 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.691 -1.364 . . . . 0.97999999999999998 109.691 179.994 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.77 136.15 57.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -1.154 . . . . 1.7 109.463 179.987 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.54 153.41 18.45 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.176 -0.953 . . . . 0.60999999999999999 109.469 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -135.73 -170.63 2.66 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.265 -0.897 . . . . 0.57999999999999996 109.068 179.832 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.71 145.19 24.11 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.202 -0.936 . . . . 0.41999999999999998 108.758 179.777 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.1 tp -140.16 136.17 33.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.445 -0.784 . . . . 0.35999999999999999 109.614 -178.502 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.17 128.64 34.93 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.464 -0.939 . . . . 1.3700000000000001 108.464 179.031 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -123.03 116.41 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.309 0 N-CA-C 108.997 -0.742 . . . . 0.46999999999999997 108.997 -179.804 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.61 152.66 39.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.728 -0.607 . . . . 2.1000000000000001 110.006 -179.432 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.06 136.26 1.52 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.46 -1.056 . . . . 0.41999999999999998 110.46 178.854 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -80.48 -41.6 24.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.422 -1.046 . . . . 2.6800000000000002 109.057 179.313 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.39 -48.34 80.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 108.982 179.505 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.2 ttm180 -60.87 -42.53 98.1 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.463 -0.773 . . . . 2.77 109.155 179.676 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -55.12 -54.9 37.34 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.591 -0.693 . . . . 0.42999999999999999 109.527 179.936 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.17 63.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.6599999999999999 109.83 -179.772 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -61.66 -50.07 73.98 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.298 -0.876 . . . . 0.44 110.132 -179.133 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.77 -45.77 93.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.942 . . . . 0.28999999999999998 108.902 -179.945 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -40.63 54.48 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.383 -0.823 . . . . 2.4399999999999999 109.58 179.607 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.12 -49.55 77.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 1.74 109.932 -179.588 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.91 -34.05 72.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.251 -0.905 . . . . 0.29999999999999999 108.784 179.762 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.49 -57.45 12.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.535 -0.728 . . . . 1.22 109.33 179.317 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.53 -35.02 79.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.538 -0.726 . . . . 1.72 109.912 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.57 33.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.27000000000000002 110.079 -179.253 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.76 -43.33 99.05 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.128 -0.982 . . . . 0.28999999999999998 109.405 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.81 -33.43 70.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 109.093 179.733 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' B' ' 350' ' ' LEU . 2.3 tt -65.67 -52.06 54.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.428 -0.795 . . . . 0.40999999999999998 109.191 -179.915 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.92 -42.36 99.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.314 -0.866 . . . . 1.5600000000000001 109.097 179.819 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.494 ' OD2' ' NH2' ' C' ' 337' ' ' ARG . 35.0 m-20 -57.12 -35.62 69.67 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.582 -0.699 . . . . 1.4299999999999999 109.514 179.898 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.24 78.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.66000000000000003 109.388 -179.976 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.83 -2.72 51.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 1.1799999999999999 109.608 -179.972 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -89.5 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.137 -0.977 . . . . 1.23 109.487 -179.922 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.89 83.71 0.93 Allowed Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.576 -1.41 . . . . 1.54 109.576 179.96 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -87.1 143.32 27.36 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -1.141 . . . . 4.1799999999999997 109.614 -179.913 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -47.87 110.16 1.31 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.264 -0.897 . . . . 5.71 109.532 -179.657 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -61.41 172.2 3.62 Favored 'Trans proline' 0 N--CA 1.479 0.661 0 C-N-CA 120.705 0.937 . . . . 5.6100000000000003 109.832 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 109.488 -1.445 . . . . 7.2400000000000002 109.488 179.955 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.441 -0.577 . . . . 7.3399999999999999 109.441 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 319' ' ' LYS . 34.5 mttp 60.43 144.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.594 -0.691 . . . . 7.1699999999999999 109.712 -179.691 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 321' ' ' LYS . 4.3 mptp? 49.91 68.41 3.48 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.146 -0.971 . . . . 6.4400000000000004 109.268 179.933 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -58.99 -80.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.398 1.399 . . . . 4.54 109.752 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.54 114.98 19.82 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.079 -1.013 . . . . 4.3200000000000003 109.604 -179.835 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.8 -149.56 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.89 . . . . 2.4700000000000002 109.491 -179.983 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.6 167.55 44.4 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.605 -1.398 . . . . 0.94999999999999996 109.605 -179.965 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.63 136.13 57.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.288 -1.124 . . . . 1.6100000000000001 109.555 179.699 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.53 153.05 18.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.125 -0.985 . . . . 0.56999999999999995 109.621 179.931 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.54 -170.63 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.25 -0.906 . . . . 0.53000000000000003 109.003 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.79 144.87 23.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.267 -0.896 . . . . 0.38 108.832 179.794 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -139.92 136.12 33.55 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.459 -0.776 . . . . 0.35999999999999999 109.711 -178.417 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.29 128.6 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.395 -0.965 . . . . 1.3600000000000001 108.395 179.143 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.89 116.46 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 N-CA-C 109.03 -0.73 . . . . 0.48999999999999999 109.03 -179.838 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -74.67 153.06 39.07 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.657 -0.652 . . . . 2.1000000000000001 109.943 -179.418 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.62 136.45 1.4 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.497 -1.041 . . . . 0.44 110.497 178.991 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.58 -41.54 23.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.397 -1.06 . . . . 2.7200000000000002 109.037 179.26 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.45 -48.34 81.06 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 2.21 108.97 179.512 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -60.96 -42.52 98.44 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.529 -0.732 . . . . 2.79 109.115 179.678 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -55.19 -54.81 38.59 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.545 -0.722 . . . . 0.45000000000000001 109.547 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.17 -43.12 63.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.411 -0.806 . . . . 1.6799999999999999 109.828 -179.812 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -61.75 -50.05 73.93 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.318 -0.864 . . . . 0.42999999999999999 110.087 -179.087 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.73 -45.8 92.86 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.079 -1.013 . . . . 0.28000000000000003 108.905 -179.977 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.73 -40.6 54.92 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.407 -0.808 . . . . 2.52 109.584 179.625 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.16 -49.53 77.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.313 -0.867 . . . . 1.75 109.876 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.98 -34.01 72.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.31 108.74 179.847 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.4 -57.43 13.04 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.369 -0.832 . . . . 1.21 109.374 179.302 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.62 -35.0 79.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.523 -0.736 . . . . 1.6899999999999999 109.945 -179.858 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.54 33.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.291 -0.881 . . . . 0.27000000000000002 109.989 -179.223 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.73 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.29999999999999999 109.372 -179.777 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.83 -33.37 70.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.307 -0.871 . . . . 1.9299999999999999 109.177 179.695 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.608 HD22 HD22 ' A' ' 350' ' ' LEU . 2.3 tt -65.58 -52.16 54.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.466 -0.771 . . . . 0.40000000000000002 109.169 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.03 -42.27 98.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.468 -0.77 . . . . 1.5900000000000001 109.078 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.42 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 35.6 m-20 -56.98 -35.67 69.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.509 -0.745 . . . . 1.4299999999999999 109.619 179.777 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.15 77.71 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.29 -0.881 . . . . 0.65000000000000002 109.417 -179.907 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -81.78 -2.86 52.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.315 -0.866 . . . . 1.1899999999999999 109.565 179.899 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.43 -89.7 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 1.22 109.461 -179.998 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.74 83.66 0.91 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.51 -1.436 . . . . 1.53 109.51 -179.929 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -87.09 143.18 27.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.243 -1.151 . . . . 4.21 109.62 -179.967 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.7 110.16 1.29 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 5.6799999999999997 109.525 -179.752 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -61.52 172.36 3.58 Favored 'Trans proline' 0 N--CA 1.479 0.643 0 C-N-CA 120.728 0.952 . . . . 5.5700000000000003 109.763 -179.932 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.526 -1.43 . . . . 7.2000000000000002 109.526 179.93 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.5 -0.556 . . . . 8.9600000000000009 109.5 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 319' ' ' LYS . 34.6 mttp 60.49 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.63 -0.669 . . . . 8.1500000000000004 109.679 -179.903 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' C' ' 321' ' ' LYS . 4.3 mptp? 49.89 68.44 3.46 Favored Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 121.152 -0.967 . . . . 7.1500000000000004 109.216 179.934 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.96 -81.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 121.421 1.414 . . . . 4.3499999999999996 109.751 179.91 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.4 114.86 19.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.046 -1.034 . . . . 4.6299999999999999 109.613 -179.878 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -78.8 -149.53 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.105 -0.997 . . . . 2.8500000000000001 109.376 -179.94 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 167.58 44.75 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.588 -1.405 . . . . 1.1200000000000001 109.588 -179.917 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.61 136.06 57.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.113 . . . . 2.1099999999999999 109.449 179.825 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -93.62 153.42 18.4 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.203 -0.935 . . . . 0.64000000000000001 109.423 179.873 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.76 -170.64 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.218 -0.926 . . . . 0.48999999999999999 109.001 179.838 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.61 145.31 24.28 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 0.46999999999999997 108.815 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.3 136.01 32.82 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.449 -0.782 . . . . 0.41999999999999998 109.612 -178.507 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -86.18 128.5 34.9 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.482 -0.933 . . . . 1.8100000000000001 108.482 179.07 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.84 116.46 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 N-CA-C 109.034 -0.728 . . . . 0.41999999999999998 109.034 -179.721 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -74.68 152.99 39.08 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.408 0.623 . . . . 2.3500000000000001 109.964 -179.428 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.72 136.45 1.43 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.448 -1.061 . . . . 0.40999999999999998 110.448 178.937 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -80.63 -41.42 23.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -1.097 . . . . 2.5899999999999999 109.041 179.282 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.53 -48.24 81.5 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.413 -0.805 . . . . 2.54 108.983 179.517 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.494 ' NH2' ' OD2' ' A' ' 352' ' ' ASP . 26.2 ttm180 -60.86 -42.67 98.31 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.396 -0.815 . . . . 3.3900000000000001 109.168 179.573 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.18 -54.82 38.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.569 -0.707 . . . . 0.46999999999999997 109.512 179.973 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -52.15 -43.11 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.822 -179.861 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.77 -49.98 74.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.346 -0.846 . . . . 0.60999999999999999 110.113 -179.079 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.81 -45.73 93.28 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.192 -0.942 . . . . 0.33000000000000002 109.015 179.99 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -50.78 -40.66 55.67 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.377 -0.827 . . . . 3.2799999999999998 109.485 179.626 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.95 -49.81 76.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.87 . . . . 1.78 109.882 -179.603 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.83 -33.98 72.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 0.38 108.809 179.84 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.43 -57.6 12.28 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.547 -0.72 . . . . 1.2 109.285 179.276 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.36 -35.03 79.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.474 -0.766 . . . . 2.1200000000000001 110.006 -179.868 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.58 33.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.26000000000000001 109.998 -179.236 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.75 -43.41 98.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.207 -0.933 . . . . 0.40000000000000002 109.357 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.78 -33.44 70.31 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.098 179.741 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' D' ' 350' ' ' LEU . 2.3 tt -65.53 -52.18 54.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.341 -0.849 . . . . 0.75 109.237 -179.921 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -62.02 -42.3 99.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.475 -0.765 . . . . 2.1899999999999999 109.021 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 35.5 m-20 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.589 -0.694 . . . . 1.3400000000000001 109.556 179.837 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.17 77.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.218 -0.926 . . . . 0.71999999999999997 109.436 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.77 -2.79 52.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.319 -0.863 . . . . 1.8 109.515 179.999 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -89.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 1.3899999999999999 109.392 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.64 83.56 0.9 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.567 -1.413 . . . . 1.6599999999999999 109.567 -179.974 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -87.06 143.27 27.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.288 -1.124 . . . . 4.4500000000000002 109.674 -179.943 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -47.83 110.14 1.3 Allowed Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.354 -0.841 . . . . 6.1900000000000004 109.495 -179.628 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -61.4 172.4 3.44 Favored 'Trans proline' 0 N--CA 1.479 0.653 0 C-N-CA 120.751 0.968 . . . . 5.5800000000000001 109.788 -179.918 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 109.486 -1.446 . . . . 6.9000000000000004 109.486 179.901 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' D' ' 320' ' ' LYS . 94.9 mttt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.495 -0.557 . . . . 7.3600000000000003 109.495 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' D' ' 319' ' ' LYS . 34.5 mttp 60.4 144.01 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.542 -0.724 . . . . 7.1500000000000004 109.722 -179.781 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.436 ' N ' ' CD ' ' D' ' 321' ' ' LYS . 4.3 mptp? 49.84 68.5 3.4 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 121.223 -0.923 . . . . 6.5 109.286 -179.973 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.03 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.985 0 C-N-CA 121.519 1.479 . . . . 4.5 109.678 -179.817 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.55 114.79 19.7 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.944 -1.098 . . . . 4.3200000000000003 109.587 -179.844 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.69 -149.68 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.217 -0.927 . . . . 2.46 109.389 -179.887 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 167.53 44.33 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.674 -1.37 . . . . 0.96999999999999997 109.674 179.996 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.72 136.08 57.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.279 -1.13 . . . . 1.6699999999999999 109.445 179.89 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -93.57 153.25 18.52 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.60999999999999999 109.475 179.943 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -135.63 -170.59 2.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.307 -0.871 . . . . 0.56000000000000005 108.994 179.848 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.4 p -152.65 145.4 24.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 0.42999999999999999 108.83 179.745 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -140.43 135.89 32.5 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.408 -0.807 . . . . 0.34999999999999998 109.676 -178.449 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -86.0 128.59 34.89 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.575 -0.898 . . . . 1.3700000000000001 108.575 179.098 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.1 mt -122.93 116.45 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 109.041 -0.726 . . . . 0.47999999999999998 109.041 -179.723 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -74.62 152.99 39.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.721 -0.612 . . . . 2.0800000000000001 110.074 -179.486 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 79.69 136.39 1.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.568 -1.013 . . . . 0.40000000000000002 110.568 179.014 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -80.64 -41.59 23.6 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -1.118 . . . . 2.6400000000000001 108.912 179.417 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -58.29 -48.51 80.24 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.403 -0.811 . . . . 2.2200000000000002 108.926 179.451 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.42 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.2 ttm180 -60.85 -42.64 98.22 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.418 -0.801 . . . . 2.7400000000000002 109.161 179.747 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.11 -54.87 37.62 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.535 -0.728 . . . . 0.42999999999999999 109.507 179.895 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.05 -43.27 63.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 1.6899999999999999 109.865 -179.859 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -61.65 -50.06 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.238 -0.914 . . . . 0.42999999999999999 110.141 -179.075 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.8 -45.77 93.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.021 . . . . 0.27000000000000002 108.93 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -50.71 -40.71 54.82 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.389 -0.819 . . . . 2.4500000000000002 109.492 179.577 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.03 -49.6 77.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.344 -0.847 . . . . 1.75 109.915 -179.545 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.95 -33.94 72.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.185 -0.947 . . . . 0.31 108.763 179.854 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.44 -57.5 12.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.417 -0.802 . . . . 1.22 109.287 179.242 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.58 -34.99 79.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.493 -0.754 . . . . 1.73 109.923 -179.733 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.14 -55.59 33.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 0.28000000000000003 110.039 -179.234 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.75 -43.48 98.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.31 109.35 -179.729 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.74 -33.46 70.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.278 -0.889 . . . . 1.9099999999999999 109.065 179.785 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.633 HD22 HD22 ' C' ' 350' ' ' LEU . 2.3 tt -65.56 -52.11 54.82 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.202 -179.928 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.362 -0.836 . . . . 1.5700000000000001 109.053 179.826 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 35.6 m-20 -56.93 -35.65 69.3 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.59 -0.694 . . . . 1.4399999999999999 109.583 179.827 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -35.23 77.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.64000000000000001 109.382 -179.84 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.76 -2.76 51.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.849 . . . . 1.21 109.62 179.903 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.51 -89.54 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.128 -0.982 . . . . 1.22 109.495 -179.935 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.84 83.66 0.92 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.53 -1.428 . . . . 1.5 109.53 179.912 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -87.01 143.32 27.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.254 -1.145 . . . . 4.1799999999999997 109.665 179.97 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -47.81 110.07 1.28 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 5.6699999999999999 109.516 -179.698 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -61.32 172.44 3.32 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 120.84 1.027 . . . . 5.6500000000000004 109.718 -179.969 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.51 -1.436 . . . . 7.2699999999999996 109.51 179.898 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.472 -0.566 . . . . 7.3300000000000001 109.472 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 55.78 96.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 7.21 109.565 179.946 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 323' ' ' LEU . 93.6 mttt 52.82 77.92 0.42 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.299 -0.876 . . . . 6.4699999999999998 109.61 179.748 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.95 3.55 0.52 Allowed 'Trans proline' 0 C--N 1.32 -0.957 0 C-N-CA 121.254 1.303 . . . . 4.5300000000000002 110.005 -179.583 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.1 mt -82.5 32.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 4.3499999999999996 109.185 179.649 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -77.7 -130.01 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.651 -0.656 . . . . 2.48 110.07 -179.348 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.57 154.97 53.0 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.96 -1.256 . . . . 0.97999999999999998 109.96 -179.455 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.36 136.89 58.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.437 -1.037 . . . . 1.7 109.539 -179.95 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -95.55 144.69 25.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.60999999999999999 109.821 -179.772 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.462 ' N ' ' OE1' ' C' ' 331' ' ' GLN . 78.4 m-85 -132.96 -172.47 2.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.451 -0.781 . . . . 0.57999999999999996 109.18 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.99 151.2 31.74 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.554 -0.906 . . . . 0.41999999999999998 108.554 -179.957 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.97 134.11 25.83 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.357 -0.84 . . . . 0.35999999999999999 109.776 -178.515 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.835 -0.802 . . . . 1.3700000000000001 108.835 179.549 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.2 mt -123.69 111.48 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 109.032 -0.729 . . . . 0.46999999999999997 109.032 -179.729 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.44 151.01 38.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.44 -0.787 . . . . 2.1000000000000001 109.889 -179.75 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 133.25 5.09 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.055 -1.218 . . . . 0.41999999999999998 110.055 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.546 ' HG2' HH11 ' A' ' 335' ' ' ARG . 2.5 ttt-85 -79.57 -45.42 19.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -1.079 . . . . 2.6800000000000002 109.038 179.683 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.12 -46.22 85.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.424 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.454 ' NH2' ' OD2' ' C' ' 352' ' ' ASP . 26.3 ttm180 -63.13 -42.24 99.48 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.277 -0.89 . . . . 2.77 109.415 179.956 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -53.83 -55.35 27.44 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.699 -0.626 . . . . 0.42999999999999999 109.808 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.5 -39.17 60.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.873 . . . . 1.6599999999999999 109.731 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.37 -52.24 62.51 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.266 -0.896 . . . . 0.44 110.603 -179.408 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.83 -48.09 83.38 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.28999999999999998 109.172 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.59 -41.27 61.07 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.277 -0.889 . . . . 2.4399999999999999 109.683 179.774 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -58.84 -49.28 78.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.202 -0.936 . . . . 1.74 109.954 -179.543 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 44.4 mt -60.22 -37.21 79.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.109 -0.994 . . . . 0.29999999999999999 108.768 179.74 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.78 11.52 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.559 -0.713 . . . . 1.22 109.72 179.736 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.16 -33.53 75.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.403 -0.811 . . . . 1.72 109.904 -179.597 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.61 56.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.287 -0.883 . . . . 0.27000000000000002 110.127 -179.497 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.36 -41.67 97.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.138 -0.976 . . . . 0.28999999999999998 109.483 -179.826 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.58 -35.48 72.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 1.9099999999999999 109.001 179.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -63.81 -49.75 71.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.379 -0.825 . . . . 0.40999999999999998 108.816 179.658 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.89 -48.6 81.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.363 -0.836 . . . . 1.5600000000000001 108.961 179.579 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -57.08 -30.57 64.42 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 109.214 -0.661 . . . . 1.4299999999999999 109.214 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -31.68 72.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.917 . . . . 0.66000000000000003 109.426 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.48 -36.24 26.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.292 -0.88 . . . . 1.1799999999999999 109.362 179.865 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -19.2 61.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.27 -0.894 . . . . 1.23 109.163 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 11.61 60.38 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.306 -1.517 . . . . 1.54 109.306 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -85.1 119.25 25.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.288 -1.125 . . . . 4.1799999999999997 109.536 -179.736 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.42 151.04 5.76 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.245 -0.91 . . . . 5.71 109.143 -179.967 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.55 133.06 55.87 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 120.899 1.066 . . . . 5.6100000000000003 109.932 179.387 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.465 -1.454 . . . . 7.2400000000000002 109.465 179.929 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.286 0.565 . . . . 7.3399999999999999 109.493 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.6 mttm 55.84 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.247 -0.908 . . . . 7.1699999999999999 109.572 179.976 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' B' ' 323' ' ' LEU . 93.6 mttt 52.73 77.95 0.42 Allowed Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 6.4400000000000004 109.614 179.794 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -62.97 3.5 0.53 Allowed 'Trans proline' 0 C--N 1.321 -0.905 0 C-N-CA 121.299 1.333 . . . . 4.54 109.991 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.0 mt -82.35 32.49 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -0.958 . . . . 4.3200000000000003 109.224 179.586 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -77.71 -130.18 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.702 -0.624 . . . . 2.4700000000000002 110.105 -179.352 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.21 154.98 52.86 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.973 -1.251 . . . . 0.94999999999999996 109.973 -179.505 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.45 136.92 58.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -1.093 . . . . 1.6100000000000001 109.507 179.954 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.47 144.75 25.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.225 -0.922 . . . . 0.56999999999999995 109.839 -179.827 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.439 ' N ' ' OE1' ' D' ' 331' ' ' GLN . 78.4 m-85 -133.01 -172.57 2.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.467 -0.77 . . . . 0.53000000000000003 109.161 179.842 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.9 151.35 32.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.197 -0.94 . . . . 0.38 108.602 179.921 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -143.03 134.15 25.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.35999999999999999 109.838 -178.569 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -85.87 126.35 34.0 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.89 -0.781 . . . . 1.3600000000000001 108.89 179.571 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.5 mt -123.69 111.55 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.418 -0.802 . . . . 0.48999999999999999 109.0 -179.632 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.52 151.0 38.02 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 2.1000000000000001 109.848 -179.697 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.89 133.41 5.15 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.967 -1.253 . . . . 0.44 109.967 179.531 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.548 ' HG2' HH11 ' B' ' 335' ' ' ARG . 2.5 ttt-85 -79.53 -45.44 19.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.355 -1.085 . . . . 2.7200000000000002 109.1 179.584 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.19 -46.24 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 2.21 109.436 -179.997 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' D' ' 352' ' ' ASP . 26.3 ttm180 -63.17 -42.15 99.34 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.245 -0.91 . . . . 2.79 109.388 179.938 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.93 -55.39 27.43 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.528 -0.733 . . . . 0.45000000000000001 109.771 -179.696 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.46 -39.08 60.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.6799999999999999 109.765 -179.854 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.5 -52.19 62.33 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.286 -0.884 . . . . 0.42999999999999999 110.573 -179.344 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.92 -48.03 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.069 -1.019 . . . . 0.28000000000000003 109.136 -179.615 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.63 -41.2 61.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.307 -0.87 . . . . 2.52 109.704 179.818 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.86 -49.33 78.17 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.167 -0.958 . . . . 1.75 109.907 -179.569 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.18 79.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.076 -1.015 . . . . 0.31 108.749 179.756 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.15 -57.85 11.22 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.638 -0.664 . . . . 1.21 109.735 179.711 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.08 -33.6 75.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 109.914 -179.624 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.55 -53.69 55.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.213 -0.929 . . . . 0.27000000000000002 110.084 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.34 -41.73 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.073 -1.017 . . . . 0.29999999999999999 109.436 -179.787 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.52 -35.58 72.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.988 179.72 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -63.76 -49.73 71.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.893 -0.78 . . . . 0.40000000000000002 108.893 179.644 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.99 -48.46 81.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 1.5900000000000001 108.896 179.673 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' D' ' 337' ' ' ARG . 17.1 m-20 -57.16 -30.53 64.55 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.61 -0.682 . . . . 1.4299999999999999 109.222 179.689 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.65000000000000002 109.528 -179.924 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.59 -36.13 26.45 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 1.1899999999999999 109.342 179.912 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.11 -19.18 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.324 -0.86 . . . . 1.22 109.146 179.7 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 11.75 60.27 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.246 -1.542 . . . . 1.53 109.246 179.832 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -85.22 119.16 25.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 4.21 109.561 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -51.45 151.06 5.81 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 109.11 -179.879 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.56 133.08 55.95 Favored 'Trans proline' 0 C--N 1.325 -0.667 0 C-N-CA 120.9 1.066 . . . . 5.5700000000000003 109.957 179.419 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.455 -1.458 . . . . 7.2000000000000002 109.455 179.971 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.465 -0.568 . . . . 8.9600000000000009 109.465 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 55.88 96.1 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.902 . . . . 8.1500000000000004 109.62 179.978 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' C' ' 323' ' ' LEU . 93.6 mttt 52.79 78.02 0.42 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 7.1500000000000004 109.626 179.833 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -63.01 3.5 0.53 Allowed 'Trans proline' 0 C--N 1.32 -0.952 0 C-N-CA 121.305 1.337 . . . . 4.3499999999999996 110.014 -179.537 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.0 mt -82.42 32.59 0.4 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 4.6299999999999999 109.247 179.599 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.77 -130.1 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.691 -0.63 . . . . 2.8500000000000001 110.025 -179.286 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.33 155.15 52.84 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.879 -1.288 . . . . 1.1200000000000001 109.879 -179.487 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.56 136.93 58.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -1.046 . . . . 2.1099999999999999 109.537 179.944 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.55 144.8 25.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.301 -0.875 . . . . 0.64000000000000001 109.799 -179.749 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.408 ' N ' ' OE1' ' A' ' 331' ' ' GLN . 78.5 m-85 -133.08 -172.51 2.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.36 -0.837 . . . . 0.48999999999999999 109.176 179.863 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.38 32.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.221 -0.925 . . . . 0.46999999999999997 108.525 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.5 tp -143.05 134.07 25.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.298 -0.876 . . . . 0.41999999999999998 109.868 -178.559 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -85.83 126.29 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.824 -0.806 . . . . 1.8100000000000001 108.824 179.61 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.64 111.52 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.463 -0.773 . . . . 0.41999999999999998 109.059 -179.694 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -75.51 151.06 38.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.414 -0.803 . . . . 2.3500000000000001 109.865 -179.678 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.83 133.4 5.11 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.974 -1.251 . . . . 0.40999999999999998 109.974 179.57 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.548 ' HG2' HH11 ' C' ' 335' ' ' ARG . 2.5 ttt-85 -79.64 -45.35 19.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.387 -1.067 . . . . 2.5899999999999999 109.059 179.695 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -58.23 -46.22 86.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.355 -0.841 . . . . 2.54 109.43 179.985 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -63.08 -42.23 99.6 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.417 -0.802 . . . . 3.3900000000000001 109.43 179.866 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -53.81 -55.42 26.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.604 -0.685 . . . . 0.46999999999999997 109.757 -179.743 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.45 -39.21 60.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 109.744 -179.756 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.36 -52.29 62.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.28 -0.888 . . . . 0.60999999999999999 110.547 -179.312 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.85 -48.08 83.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.993 -1.067 . . . . 0.33000000000000002 109.152 -179.577 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -51.68 -41.08 61.14 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.29 -0.881 . . . . 3.2799999999999998 109.752 179.809 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.93 -49.3 78.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.241 -0.912 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.24 -37.09 79.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.38 108.76 179.771 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.24 -57.76 11.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.529 -0.732 . . . . 1.2 109.737 179.745 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.18 -33.56 75.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.412 -0.805 . . . . 2.1200000000000001 109.907 -179.633 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.53 -53.67 55.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.26000000000000001 110.165 -179.513 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.37 -41.68 97.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.40000000000000002 109.412 -179.791 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.57 -35.62 72.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 2.0899999999999999 108.915 179.721 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -63.7 -49.89 71.33 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.876 -0.787 . . . . 0.75 108.876 179.674 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -60.78 -48.57 81.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 2.1899999999999999 108.913 179.655 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.454 ' OD2' ' NH2' ' A' ' 337' ' ' ARG . 17.0 m-20 -57.04 -30.67 64.44 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.64 -0.663 . . . . 1.3400000000000001 109.233 179.703 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.74 -31.63 72.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.71999999999999997 109.503 -179.887 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.5 -36.35 26.51 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 1.8 109.31 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.23 61.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 1.3899999999999999 109.173 179.764 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 11.67 60.37 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.329 -1.509 . . . . 1.6599999999999999 109.329 179.777 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -85.22 119.2 25.34 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.338 -1.095 . . . . 4.4500000000000002 109.561 -179.775 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.37 151.08 5.61 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.344 -0.847 . . . . 6.1900000000000004 109.113 -179.886 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -55.57 133.07 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 120.943 1.095 . . . . 5.5800000000000001 109.912 179.407 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.563 -1.415 . . . . 6.9000000000000004 109.563 179.862 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.448 -0.575 . . . . 7.3600000000000003 109.448 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttm 55.9 96.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.276 -0.89 . . . . 7.1500000000000004 109.528 179.959 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' D' ' 323' ' ' LEU . 93.6 mttt 52.87 77.91 0.42 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.273 -0.892 . . . . 6.5 109.656 179.779 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.09 3.65 0.53 Allowed 'Trans proline' 0 C--N 1.321 -0.915 0 C-N-CA 121.288 1.325 . . . . 4.5 110.006 -179.505 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.0 mt -82.48 32.56 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.232 -0.917 . . . . 4.3200000000000003 109.154 179.576 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -77.73 -130.1 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.685 -0.634 . . . . 2.46 110.033 -179.343 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.49 155.01 52.97 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.901 -1.28 . . . . 0.96999999999999997 109.901 -179.389 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -59.41 136.93 58.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -1.065 . . . . 1.6699999999999999 109.447 -179.909 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -95.54 144.79 25.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.906 . . . . 0.60999999999999999 109.815 -179.824 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.449 ' N ' ' OE1' ' B' ' 331' ' ' GLN . 78.6 m-85 -133.07 -172.56 2.96 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.483 -0.761 . . . . 0.56000000000000005 109.144 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.95 151.31 31.95 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.246 -0.909 . . . . 0.42999999999999999 108.576 179.97 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 60.0 tp -142.99 134.19 25.9 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.358 -0.839 . . . . 0.34999999999999998 109.761 -178.514 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -85.95 126.29 34.0 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.857 -0.794 . . . . 1.3700000000000001 108.857 179.561 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.65 111.44 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.437 -0.79 . . . . 0.47999999999999998 109.026 -179.609 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -75.39 150.98 38.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.399 -0.813 . . . . 2.0800000000000001 109.946 -179.765 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.87 133.36 5.12 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.024 -1.23 . . . . 0.40000000000000002 110.024 179.587 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.536 ' HG2' HH11 ' D' ' 335' ' ' ARG . 2.5 ttt-85 -79.61 -45.36 19.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.389 -1.065 . . . . 2.6400000000000001 109.094 179.616 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.23 -46.2 86.34 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.393 -0.817 . . . . 2.2200000000000002 109.438 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' B' ' 352' ' ' ASP . 26.3 ttm180 -63.11 -42.26 99.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.297 -0.877 . . . . 2.7400000000000002 109.38 179.93 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -53.82 -55.41 26.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.604 -0.685 . . . . 0.42999999999999999 109.809 -179.7 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.44 -39.13 60.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 1.6899999999999999 109.784 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttp -63.38 -52.31 62.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.372 -0.83 . . . . 0.42999999999999999 110.568 -179.394 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.87 -48.15 83.14 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.117 -0.989 . . . . 0.27000000000000002 109.089 -179.528 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -51.52 -41.18 60.84 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.284 -0.885 . . . . 2.4500000000000002 109.775 179.775 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.92 -49.25 78.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -0.959 . . . . 1.75 109.934 -179.566 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.26 -37.2 79.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.071 -1.018 . . . . 0.31 108.68 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.551 -0.718 . . . . 1.22 109.775 179.729 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -63.04 -33.59 75.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.411 -0.806 . . . . 1.73 109.894 -179.655 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.71 55.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.87 . . . . 0.28000000000000003 110.076 -179.443 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.186 -0.946 . . . . 0.31 109.515 -179.744 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.51 -35.57 72.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.025 179.619 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.551 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -63.78 -49.78 71.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.378 -0.827 . . . . 0.42999999999999999 108.868 179.671 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.89 -48.61 81.04 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.378 -0.826 . . . . 1.5700000000000001 109.006 179.498 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' B' ' 337' ' ' ARG . 17.1 m-20 -57.09 -30.47 64.37 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.666 -0.646 . . . . 1.4399999999999999 109.287 179.632 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.68 72.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.64000000000000001 109.511 -179.938 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.48 -36.4 26.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.181 -0.95 . . . . 1.21 109.293 179.911 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.05 -19.12 61.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.346 -0.846 . . . . 1.22 109.231 179.758 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 11.71 60.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.254 -1.539 . . . . 1.5 109.254 179.769 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -85.18 119.22 25.32 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -1.116 . . . . 4.1799999999999997 109.513 -179.761 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -51.46 151.07 5.83 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 5.6699999999999999 109.101 -179.892 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -55.49 133.06 55.86 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 120.962 1.108 . . . . 5.6500000000000004 109.937 179.39 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.454 -1.458 . . . . 7.2699999999999996 109.454 179.925 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.3300000000000001 109.434 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 54.13 -86.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 7.21 109.717 179.961 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 319' ' ' LYS . 18.0 ttpp 56.35 68.16 2.39 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 6.4699999999999998 109.732 -179.944 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.83 -148.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.41 1.407 . . . . 4.5300000000000002 109.69 -179.865 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.86 143.05 39.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.024 -1.048 . . . . 4.3499999999999996 108.971 179.927 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -78.85 111.53 15.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.242 -0.911 . . . . 2.48 109.896 -179.472 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.09 155.62 53.55 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.966 -1.653 . . . . 0.97999999999999998 108.966 179.44 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 326' ' ' GLU . 14.5 mp0 -61.68 121.24 12.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.054 -1.262 . . . . 1.7 109.994 -179.695 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 69.8 m-85 -96.59 151.85 19.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.243 -0.91 . . . . 0.60999999999999999 109.378 179.505 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.31 4.12 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.57999999999999996 109.262 179.898 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 40.9 p -150.26 146.55 26.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.297 -0.877 . . . . 0.41999999999999998 108.762 -179.801 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.08 132.18 27.98 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.35999999999999999 109.735 -178.573 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.72 130.64 34.67 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.358 -0.979 . . . . 1.3700000000000001 108.358 179.12 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -123.33 113.29 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.412 -0.805 . . . . 0.46999999999999997 109.331 -179.49 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.41 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.8 ttt-85 -74.49 149.52 40.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.531 -0.73 . . . . 2.1000000000000001 109.311 179.704 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 135.12 4.41 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.868 -1.293 . . . . 0.41999999999999998 109.868 179.836 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.77 -46.18 15.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.327 -1.102 . . . . 2.6800000000000002 109.555 179.861 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.06 -42.83 86.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.32 -0.863 . . . . 2.2200000000000002 109.513 -179.936 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.06 -42.87 99.64 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.337 -0.852 . . . . 2.77 109.313 179.96 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -55.54 -56.9 14.95 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.585 -0.697 . . . . 0.42999999999999999 110.039 -179.694 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.6 -37.82 51.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.6599999999999999 110.083 -179.505 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.7 -50.78 67.83 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.44 110.502 -179.221 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.86 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.091 -1.006 . . . . 0.28999999999999998 109.189 -179.515 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.6 -43.67 62.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.293 -0.88 . . . . 2.4399999999999999 109.511 179.669 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.04 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.107 -0.995 . . . . 1.74 109.76 -179.792 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.56 -44.43 97.05 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.232 -0.917 . . . . 0.29999999999999999 109.463 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -58.02 -48.2 80.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 1.22 109.247 179.868 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.99 -38.41 88.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.858 . . . . 1.72 109.466 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.91 -52.31 66.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.332 -0.855 . . . . 0.27000000000000002 109.846 -179.869 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.4 mt -61.64 -43.87 98.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.28999999999999998 109.314 -179.94 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.44 -36.62 76.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.209 179.689 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 350' ' ' LEU . 1.9 tt -64.22 -51.78 62.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.456 -0.778 . . . . 0.40999999999999998 109.114 179.849 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.62 -42.05 96.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 1.5600000000000001 109.033 179.832 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.61 -34.78 67.56 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.331 179.778 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.78 -39.34 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.351 -0.843 . . . . 0.66000000000000003 109.658 -179.889 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.5 -3.77 54.05 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 1.1799999999999999 109.637 -179.846 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.38 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 1.23 109.22 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.97 76.83 0.56 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.275 -1.53 . . . . 1.54 109.275 179.671 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.23 130.82 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -1.106 . . . . 4.1799999999999997 109.569 -179.755 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 360' ' ' GLY . 28.5 mt-10 -51.29 155.15 2.52 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.395 -0.816 . . . . 5.71 109.113 -179.863 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.1 4.99 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 121.169 1.246 . . . . 5.6100000000000003 110.361 179.345 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.026 -1.43 . . . . 7.2400000000000002 109.604 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' B' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.402 -0.592 . . . . 7.3399999999999999 109.402 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 54.17 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.335 -0.853 . . . . 7.1699999999999999 109.612 179.934 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' B' ' 319' ' ' LYS . 18.0 ttpp 56.35 68.23 2.36 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 6.4400000000000004 109.667 -179.902 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.81 -148.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.465 1.443 . . . . 4.54 109.685 -179.963 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.89 143.11 39.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.021 -1.049 . . . . 4.3200000000000003 108.974 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.85 111.59 15.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.171 -0.956 . . . . 2.4700000000000002 109.84 -179.393 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.15 155.63 53.53 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.926 -1.67 . . . . 0.94999999999999996 108.926 179.451 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.585 ' H ' ' CD ' ' B' ' 326' ' ' GLU . 14.5 mp0 -61.56 121.13 11.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.237 . . . . 1.6100000000000001 110.007 -179.773 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 69.6 m-85 -96.65 151.9 19.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.19 -0.944 . . . . 0.56999999999999995 109.357 179.492 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.1 -175.29 4.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.363 -0.835 . . . . 0.53000000000000003 109.319 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 41.0 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.244 -0.91 . . . . 0.38 108.725 -179.78 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 51.3 tp -140.22 132.15 27.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.341 -0.849 . . . . 0.35999999999999999 109.642 -178.541 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.69 130.67 34.67 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 1.3600000000000001 108.375 179.128 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.36 113.35 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.419 -0.801 . . . . 0.48999999999999999 109.309 -179.448 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.409 ' CG ' HH11 ' B' ' 333' ' ' ARG . 1.7 ttt-85 -74.51 149.62 40.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.736 . . . . 2.1000000000000001 109.3 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.21 135.12 4.37 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.847 -1.301 . . . . 0.44 109.847 179.818 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.8 -46.1 15.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.304 -1.115 . . . . 2.7200000000000002 109.573 179.878 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -42.9 86.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.21 109.482 -179.977 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -62.08 -42.8 99.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.251 -0.906 . . . . 2.79 109.359 -179.962 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -55.6 -56.88 15.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.506 -0.746 . . . . 0.45000000000000001 109.993 -179.731 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.63 -37.9 52.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 1.6799999999999999 110.051 -179.482 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.59 -50.87 67.74 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.14 -0.975 . . . . 0.42999999999999999 110.481 -179.274 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.42 98.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.146 -0.971 . . . . 0.28000000000000003 109.234 -179.486 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -51.72 -43.6 62.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.2 -0.937 . . . . 2.52 109.436 179.734 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.57 -46.09 91.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.189 -0.944 . . . . 1.75 109.737 -179.8 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.5 -44.41 97.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.931 . . . . 0.31 109.509 -179.725 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -58.05 -48.1 81.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.094 -1.004 . . . . 1.21 109.29 179.823 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.98 -38.42 88.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 1.6899999999999999 109.462 179.979 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -52.33 66.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.295 -0.878 . . . . 0.27000000000000002 109.825 -179.774 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.58 -43.97 97.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.915 . . . . 0.29999999999999999 109.331 -179.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.32 -36.71 76.15 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.246 -0.908 . . . . 1.9299999999999999 109.244 179.628 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 350' ' ' LEU . 1.9 tt -64.16 -51.77 62.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.436 -0.79 . . . . 0.40000000000000002 109.177 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 3.2 ttmp? -60.58 -41.99 95.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.5900000000000001 109.1 179.797 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -34.75 67.8 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.544 -0.722 . . . . 1.4299999999999999 109.26 179.795 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.38 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.87 . . . . 0.65000000000000002 109.668 -179.918 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.57 -3.74 54.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 1.1899999999999999 109.666 -179.803 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.44 -85.19 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 1.22 109.227 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.0 76.81 0.56 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.336 -1.506 . . . . 1.53 109.336 179.665 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -85.2 130.84 34.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -1.174 . . . . 4.21 109.536 -179.678 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 360' ' ' GLY . 28.6 mt-10 -51.27 155.15 2.5 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.348 -0.845 . . . . 5.6799999999999997 109.114 -179.897 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.13 4.99 0.14 Allowed 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 121.134 1.223 . . . . 5.5700000000000003 110.336 179.369 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 118.008 -1.44 . . . . 7.2000000000000002 109.594 -179.98 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' C' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.301 0.572 . . . . 8.9600000000000009 109.469 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 54.14 -85.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.321 -0.862 . . . . 8.1500000000000004 109.711 -179.965 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' C' ' 319' ' ' LYS . 18.0 ttpp 56.39 68.17 2.38 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.264 -0.898 . . . . 7.1500000000000004 109.671 -179.981 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.84 -148.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.107 0 C-N-CA 121.483 1.456 . . . . 4.3499999999999996 109.686 -179.887 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.88 143.03 39.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.054 -1.029 . . . . 4.6299999999999999 109.06 179.887 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.77 111.52 14.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.246 -0.909 . . . . 2.8500000000000001 109.932 -179.389 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.545 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.15 155.7 53.53 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.86 -1.696 . . . . 1.1200000000000001 108.86 179.551 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' C' ' 326' ' ' GLU . 14.5 mp0 -61.6 121.16 12.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.119 -1.224 . . . . 2.1099999999999999 109.943 -179.74 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 69.5 m-85 -96.67 151.91 19.16 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.227 -0.921 . . . . 0.64000000000000001 109.339 179.494 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.17 -175.25 4.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.357 -0.839 . . . . 0.48999999999999999 109.248 179.928 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.32 146.57 26.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.204 -0.935 . . . . 0.46999999999999997 108.715 -179.757 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 51.0 tp -140.12 132.1 27.78 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.386 -0.821 . . . . 0.41999999999999998 109.707 -178.576 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.64 130.73 34.68 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.408 -0.96 . . . . 1.8100000000000001 108.408 179.033 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 62.6 mt -123.39 113.35 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.529 -0.732 . . . . 0.41999999999999998 109.307 -179.506 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.401 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.7 ttt-85 -74.47 149.53 40.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.57 -0.706 . . . . 2.3500000000000001 109.377 179.675 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.37 134.98 4.41 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.818 -1.313 . . . . 0.40999999999999998 109.818 179.766 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -80.69 -46.18 15.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -1.052 . . . . 2.5899999999999999 109.546 179.921 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.96 -42.88 85.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.862 . . . . 2.54 109.512 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -62.13 -42.81 99.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.278 -0.889 . . . . 3.3900000000000001 109.291 -179.935 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.56 -56.94 14.44 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 109.985 -179.692 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.61 -37.81 51.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.024 -179.427 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.2 ttp -63.65 -50.91 67.43 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.234 -0.916 . . . . 0.60999999999999999 110.482 -179.265 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.65 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.117 -0.989 . . . . 0.33000000000000002 109.312 -179.565 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.73 -43.55 62.92 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.266 -0.896 . . . . 3.2799999999999998 109.44 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.78 109.744 -179.807 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.242 -0.912 . . . . 0.38 109.549 -179.741 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.98 -48.23 80.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.069 -1.02 . . . . 1.2 109.227 179.799 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.92 -38.43 88.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.88 . . . . 2.1200000000000001 109.482 -179.958 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.0 -52.31 66.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.26000000000000001 109.763 -179.768 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.58 -43.93 97.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.40000000000000002 109.386 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.4 -36.62 76.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.907 . . . . 2.0899999999999999 109.189 179.648 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' D' ' 350' ' ' LEU . 1.9 tt -64.28 -51.7 62.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.75 109.145 179.878 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.2 ttmp? -60.65 -41.94 95.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 2.1899999999999999 109.049 179.807 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -34.77 67.77 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.3400000000000001 109.285 179.791 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.43 84.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.878 . . . . 0.71999999999999997 109.612 -179.897 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -81.53 -3.71 53.95 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.369 -0.832 . . . . 1.8 109.664 -179.793 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -85.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 1.3899999999999999 109.233 179.873 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.02 76.73 0.57 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.281 -1.527 . . . . 1.6599999999999999 109.281 179.682 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.09 130.83 34.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.205 -1.173 . . . . 4.4500000000000002 109.564 -179.756 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' C' ' 360' ' ' GLY . 28.5 mt-10 -51.4 155.24 2.61 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.375 -0.828 . . . . 6.1900000000000004 109.048 -179.845 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.13 4.91 0.15 Allowed 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 121.132 1.221 . . . . 5.5800000000000001 110.361 179.403 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.427 0 CA-C-O 117.932 -1.482 . . . . 6.9000000000000004 109.588 -179.986 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' D' ' 321' ' ' LYS . 64.4 tttp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.406 -0.59 . . . . 7.3600000000000003 109.406 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 89.4 mttt 54.12 -85.93 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 7.1500000000000004 109.721 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' D' ' 319' ' ' LYS . 18.0 ttpp 56.4 68.22 2.35 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.162 -0.961 . . . . 6.5 109.636 179.957 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -59.86 -148.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.549 1.5 . . . . 4.5 109.668 -179.868 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.92 143.03 39.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.059 -1.026 . . . . 4.3200000000000003 109.016 179.885 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -78.88 111.64 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.239 -0.913 . . . . 2.46 109.831 -179.359 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.554 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.17 155.62 53.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.945 -1.662 . . . . 0.96999999999999997 108.945 179.485 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.604 ' H ' ' CD ' ' D' ' 326' ' ' GLU . 14.5 mp0 -61.49 121.09 11.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.235 . . . . 1.6699999999999999 110.051 -179.842 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 69.9 m-85 -96.59 151.79 19.26 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.179 -0.951 . . . . 0.60999999999999999 109.383 179.499 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -139.06 -175.25 4.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.287 -0.883 . . . . 0.56000000000000005 109.325 179.895 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 40.8 p -150.31 146.59 26.85 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.205 -0.934 . . . . 0.42999999999999999 108.68 -179.72 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 51.1 tp -140.19 132.14 27.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.364 -0.835 . . . . 0.34999999999999998 109.652 -178.555 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -84.68 130.69 34.67 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.349 -0.982 . . . . 1.3700000000000001 108.349 179.121 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 62.1 mt -123.37 113.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.493 -0.754 . . . . 0.47999999999999998 109.372 -179.487 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.45 149.57 40.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.592 -0.692 . . . . 2.0800000000000001 109.307 179.758 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.27 135.08 4.39 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.833 -1.307 . . . . 0.40000000000000002 109.833 179.769 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -80.76 -46.21 15.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.6400000000000001 109.551 179.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.97 -42.9 86.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.843 . . . . 2.2200000000000002 109.533 179.997 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.11 -42.8 99.59 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.277 -0.889 . . . . 2.7400000000000002 109.342 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.57 -56.87 15.22 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 110.016 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -51.62 -37.83 51.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 1.6899999999999999 110.062 -179.449 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.3 ttp -63.69 -50.84 67.61 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.17 -0.956 . . . . 0.42999999999999999 110.47 -179.218 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.75 -43.36 99.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.088 -1.007 . . . . 0.27000000000000002 109.293 -179.596 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.8 -43.63 63.16 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.166 -0.959 . . . . 2.4500000000000002 109.367 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.47 -46.1 91.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.231 -0.918 . . . . 1.75 109.818 -179.83 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.51 -44.37 97.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.22 -0.925 . . . . 0.31 109.559 -179.745 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -58.08 -48.16 80.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.109 -0.994 . . . . 1.22 109.22 179.838 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.0 -38.42 88.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.73 109.483 -179.959 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.637 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.89 -52.42 65.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 0.28000000000000003 109.727 -179.824 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.54 -43.87 98.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.16 -0.963 . . . . 0.31 109.412 -179.909 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -59.51 -36.61 76.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.132 179.685 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.526 HD22 HD22 ' C' ' 350' ' ' LEU . 1.9 tt -64.29 -51.64 62.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 0.42999999999999999 109.174 179.891 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.61 -41.99 95.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.5700000000000001 109.166 179.706 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.68 -34.74 67.69 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.6 -0.688 . . . . 1.4399999999999999 109.311 179.715 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.36 84.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.369 -0.832 . . . . 0.64000000000000001 109.666 -179.927 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.5 -3.72 53.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 1.21 109.665 -179.877 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.41 -85.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.224 -0.922 . . . . 1.22 109.256 179.837 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.01 76.82 0.56 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.235 -1.546 . . . . 1.5 109.235 179.691 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -85.14 130.85 34.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.242 -1.152 . . . . 4.1799999999999997 109.621 -179.859 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' D' ' 360' ' ' GLY . 28.4 mt-10 -51.35 155.12 2.61 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 5.6699999999999999 109.032 -179.843 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.02 4.9 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 121.195 1.263 . . . . 5.6500000000000004 110.367 179.351 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 118.039 -1.423 . . . . 7.2699999999999996 109.62 -179.896 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.372 -0.603 . . . . 7.3300000000000001 109.372 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.28 -26.4 0.14 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.47 -0.769 . . . . 7.21 110.023 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 319' ' ' LYS . 53.9 mttp 54.02 70.54 1.68 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.075 -1.016 . . . . 6.4699999999999998 109.578 179.763 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -65.0 9.24 0.17 Allowed 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 121.595 1.53 . . . . 4.5300000000000002 110.271 -179.809 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.1 mt -80.87 39.85 0.51 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.14 -0.975 . . . . 4.3499999999999996 109.332 179.997 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.46 -133.24 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.644 -0.66 . . . . 2.48 109.83 -179.59 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.09 154.43 53.11 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.97999999999999998 109.879 -179.621 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -59.27 140.75 55.7 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.368 -1.078 . . . . 1.7 109.511 179.964 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.18 156.04 17.09 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.256 -0.903 . . . . 0.60999999999999999 109.582 179.983 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -137.78 -169.65 2.59 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.284 -0.885 . . . . 0.57999999999999996 109.075 179.972 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 31.3 p -152.58 148.86 27.84 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.99 -1.069 . . . . 0.41999999999999998 109.026 -179.995 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.36 132.94 27.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.37 -0.831 . . . . 0.35999999999999999 109.829 -178.697 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.49 127.63 34.47 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.686 -0.857 . . . . 1.3700000000000001 108.686 179.248 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.4 mt -123.74 117.79 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 121.528 -0.733 . . . . 0.46999999999999997 109.248 -179.688 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.25 149.9 38.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.587 -0.696 . . . . 2.1000000000000001 110.131 -179.727 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 135.67 5.51 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.445 -1.062 . . . . 0.41999999999999998 110.445 179.274 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -82.05 -53.16 6.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.084 . . . . 2.6800000000000002 109.225 179.575 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.94 -40.23 83.99 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.165 -0.96 . . . . 2.2200000000000002 108.678 179.355 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' OD2' ' C' ' 352' ' ' ASP . 4.8 ttt180 -63.2 -43.47 98.08 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.776 -0.824 . . . . 2.77 108.776 179.58 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -56.58 -53.16 60.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.685 -0.634 . . . . 0.42999999999999999 109.631 179.764 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.06 -36.29 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.031 -179.502 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.97 -50.17 71.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.141 -0.975 . . . . 0.44 110.314 -179.205 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.99 -44.48 97.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.28999999999999998 109.289 -179.778 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.195 -0.941 . . . . 2.4399999999999999 109.477 179.804 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.52 -45.0 95.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 1.74 109.833 -179.7 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.8 -46.16 90.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.29999999999999999 109.224 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.58 -48.65 80.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.173 -0.954 . . . . 1.22 109.345 179.754 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.79 -41.86 99.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 1.72 109.746 -179.843 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.24 66.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -0.845 . . . . 0.27000000000000002 109.808 -179.674 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.41 -43.1 99.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.181 -0.95 . . . . 0.28999999999999998 109.18 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -34.78 73.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.142 -0.974 . . . . 1.9099999999999999 109.183 179.53 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.456 HD11 HE22 ' B' ' 354' ' ' GLN . 27.3 tp -63.71 -49.09 74.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 0.40999999999999998 109.608 -179.847 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.27 -40.97 97.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 1.5600000000000001 108.926 179.819 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' C' ' 337' ' ' ARG . 56.4 m-20 -56.58 -32.19 64.96 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.617 -0.677 . . . . 1.4299999999999999 109.508 179.761 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.95 60.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.943 . . . . 0.66000000000000003 109.715 -179.844 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.502 HE22 HD11 ' B' ' 350' ' ' LEU . 27.7 mt-30 -80.96 -2.13 46.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 1.1799999999999999 109.569 -179.893 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.1 -80.82 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.334 -0.854 . . . . 1.23 109.649 -179.906 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.07 11.77 0.28 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.31 -1.116 . . . . 1.54 110.31 -179.565 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' A' ' 355' ' ' ALA . 26.0 tptp -84.82 -90.8 0.09 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.993 -1.298 . . . . 4.1799999999999997 109.129 179.915 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -51.42 151.37 5.47 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 5.71 109.024 -179.961 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -55.41 104.87 0.13 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 120.997 1.131 . . . . 5.6100000000000003 109.94 179.57 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 117.936 -1.48 . . . . 7.2400000000000002 109.481 179.991 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' B' ' 321' ' ' LYS . 33.0 pttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.352 -0.61 . . . . 7.3399999999999999 109.352 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.27 -26.39 0.14 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.44 -0.787 . . . . 7.1699999999999999 109.999 179.999 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' B' ' 319' ' ' LYS . 53.9 mttp 53.86 70.66 1.64 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 6.4400000000000004 109.6 179.891 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.05 9.18 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.086 0 C-N-CA 121.605 1.537 . . . . 4.54 110.171 -179.794 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.0 mt -80.79 39.88 0.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.118 -0.989 . . . . 4.3200000000000003 109.399 179.93 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.51 -133.46 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.686 -0.634 . . . . 2.4700000000000002 109.781 -179.582 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.83 154.29 53.02 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.92 -1.272 . . . . 0.94999999999999996 109.92 -179.621 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -59.13 140.72 55.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.359 -1.083 . . . . 1.6100000000000001 109.433 179.91 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -93.24 156.06 17.05 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.225 -0.922 . . . . 0.56999999999999995 109.533 -179.964 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -137.87 -169.8 2.63 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.408 -0.807 . . . . 0.53000000000000003 108.974 179.982 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 31.7 p -152.5 148.9 27.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.098 -1.001 . . . . 0.38 109.041 -179.944 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 58.4 tp -141.44 132.83 26.72 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.359 -0.838 . . . . 0.35999999999999999 109.789 -178.606 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.45 127.7 34.48 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.723 -0.843 . . . . 1.3600000000000001 108.723 179.218 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.79 117.84 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.389 -0.819 . . . . 0.48999999999999999 109.234 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.36 149.88 38.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.647 -0.658 . . . . 2.1000000000000001 110.12 -179.625 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.04 135.62 5.52 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.43 -1.068 . . . . 0.44 110.43 179.325 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.95 -53.18 6.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.359 -1.083 . . . . 2.7200000000000002 109.171 179.567 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -59.09 -40.09 84.2 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.076 -1.015 . . . . 2.21 108.704 179.472 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.412 ' NH1' ' OD2' ' D' ' 352' ' ' ASP . 4.9 ttt180 -63.2 -43.48 98.04 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.8 -0.815 . . . . 2.79 108.8 179.491 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -56.56 -53.25 59.71 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.686 -0.634 . . . . 0.45000000000000001 109.632 179.725 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.95 -36.29 37.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.314 -0.866 . . . . 1.6799999999999999 110.142 -179.57 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.01 -50.08 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.187 -0.946 . . . . 0.42999999999999999 110.364 -179.241 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.01 -44.61 97.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.078 -1.014 . . . . 0.28000000000000003 109.246 -179.805 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.37 -41.59 60.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 2.52 109.374 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.35 -45.16 94.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.192 -0.942 . . . . 1.75 109.818 -179.747 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.81 -46.16 90.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.31 109.231 -179.955 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -58.64 -48.48 80.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.21 109.395 179.693 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.88 -41.86 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.347 -0.846 . . . . 1.6899999999999999 109.718 -179.835 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.25 66.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 109.888 -179.74 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.58 -43.07 99.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.29999999999999999 109.09 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.88 -34.77 73.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.932 . . . . 1.9299999999999999 109.176 179.511 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.502 HD11 HE22 ' A' ' 354' ' ' GLN . 27.3 tp -63.74 -49.0 74.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.574 -179.838 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.38 -40.94 98.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.33 -0.856 . . . . 1.5900000000000001 108.878 179.89 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.437 ' OD2' ' NH1' ' D' ' 337' ' ' ARG . 56.4 m-20 -56.65 -32.08 65.0 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.711 -0.618 . . . . 1.4299999999999999 109.526 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -50.91 59.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.268 -0.895 . . . . 0.65000000000000002 109.682 -179.826 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.456 HE22 HD11 ' A' ' 350' ' ' LEU . 27.7 mt-30 -80.99 -2.11 46.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 1.1899999999999999 109.541 -179.888 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -71.04 -80.73 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 1.22 109.744 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.13 11.77 0.29 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.27 -1.132 . . . . 1.53 110.27 -179.62 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' B' ' 355' ' ' ALA . 26.0 tptp -84.84 -90.91 0.09 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.059 -1.259 . . . . 4.21 109.097 179.922 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.43 151.5 5.37 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 5.6799999999999997 109.006 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -55.44 104.9 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 120.978 1.119 . . . . 5.5700000000000003 109.926 179.528 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.483 -1.447 . . . . 7.2000000000000002 109.483 179.925 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' C' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.425 -0.583 . . . . 8.9600000000000009 109.425 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.27 -26.3 0.14 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.485 -0.759 . . . . 8.1500000000000004 109.988 -179.972 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' C' ' 319' ' ' LYS . 53.9 mttp 53.84 70.63 1.66 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.072 -1.018 . . . . 7.1500000000000004 109.639 179.853 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.07 9.34 0.17 Allowed 'Trans proline' 0 C--N 1.319 -1.017 0 C-N-CA 121.515 1.477 . . . . 4.3499999999999996 110.256 -179.804 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.2 mt -80.91 39.9 0.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.084 -1.01 . . . . 4.6299999999999999 109.388 179.937 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.56 -133.31 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.664 -0.647 . . . . 2.8500000000000001 109.823 -179.571 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.0 154.33 53.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.866 -1.294 . . . . 1.1200000000000001 109.866 -179.598 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -59.14 140.73 55.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.367 -1.078 . . . . 2.1099999999999999 109.423 179.951 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.23 156.21 16.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.88 . . . . 0.64000000000000001 109.532 -179.992 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -137.95 -169.8 2.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.343 -0.848 . . . . 0.48999999999999999 108.982 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 31.8 p -152.53 148.84 27.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.046 -1.034 . . . . 0.46999999999999997 109.026 -179.997 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 58.3 tp -141.37 132.87 26.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.276 -0.89 . . . . 0.41999999999999998 109.857 -178.713 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.42 127.61 34.44 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.7 -0.852 . . . . 1.8100000000000001 108.7 179.268 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.1 mt -123.72 117.82 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.491 -0.755 . . . . 0.41999999999999998 109.215 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.26 149.89 38.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.625 -0.672 . . . . 2.3500000000000001 110.07 -179.695 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.03 135.51 5.48 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.436 -1.066 . . . . 0.40999999999999998 110.436 179.209 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.8 -53.23 6.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.372 -1.075 . . . . 2.5899999999999999 109.221 179.529 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -59.03 -40.06 83.84 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.068 -1.02 . . . . 2.54 108.633 179.501 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 352' ' ' ASP . 4.8 ttt180 -63.36 -43.39 97.81 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.73 -0.841 . . . . 3.3900000000000001 108.73 179.621 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -56.65 -53.17 60.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.747 -0.596 . . . . 0.46999999999999997 109.631 179.691 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -51.0 -36.28 38.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.889 . . . . 1.6599999999999999 110.107 -179.56 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.0 -50.18 71.74 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.092 -1.005 . . . . 0.60999999999999999 110.354 -179.24 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.94 -44.56 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.039 -1.038 . . . . 0.33000000000000002 109.292 -179.852 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.43 -41.54 60.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.214 -0.929 . . . . 3.2799999999999998 109.413 179.844 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.41 -45.18 94.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.895 . . . . 1.78 109.802 -179.782 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.69 -46.14 90.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.38 109.299 -179.993 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -58.64 -48.5 80.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.331 -0.855 . . . . 1.2 109.334 179.746 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.96 -41.78 99.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.737 -179.822 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.33 66.04 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.361 -0.837 . . . . 0.26000000000000001 109.845 -179.728 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -43.26 99.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.40000000000000002 109.127 179.99 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.414 ' HG3' HH22 ' A' ' 337' ' ' ARG . 42.9 mt-10 -59.75 -34.84 73.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.195 -0.941 . . . . 2.0899999999999999 109.144 179.511 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.513 HD11 HE22 ' D' ' 354' ' ' GLN . 27.2 tp -63.71 -49.1 74.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.356 -0.84 . . . . 0.75 109.546 -179.832 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 2.1899999999999999 108.938 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . 0.438 ' OD2' ' NH1' ' A' ' 337' ' ' ARG . 56.5 m-20 -56.64 -32.02 64.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.57 -0.706 . . . . 1.3400000000000001 109.547 179.786 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.23 -50.85 59.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.837 . . . . 0.71999999999999997 109.712 -179.838 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.509 HE22 HD11 ' D' ' 350' ' ' LEU . 27.7 mt-30 -80.93 -2.22 46.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.95 . . . . 1.8 109.53 -179.941 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -71.09 -80.71 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.328 -0.857 . . . . 1.3899999999999999 109.71 -179.854 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.03 11.68 0.28 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.29 -1.124 . . . . 1.6599999999999999 110.29 -179.648 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' C' ' 355' ' ' ALA . 26.0 tptp -84.8 -90.85 0.09 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.944 -1.327 . . . . 4.4500000000000002 109.129 179.95 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -51.42 151.38 5.45 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.203 -0.936 . . . . 6.1900000000000004 109.074 -179.977 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -55.36 104.9 0.13 Allowed 'Trans proline' 0 C--N 1.323 -0.791 0 C-N-CA 121.007 1.138 . . . . 5.5800000000000001 109.908 179.549 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 118.007 -1.44 . . . . 6.9000000000000004 109.53 179.915 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' D' ' 321' ' ' LYS . 32.9 pttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.365 -0.605 . . . . 7.3600000000000003 109.365 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt 68.22 -26.27 0.13 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.483 -0.76 . . . . 7.1500000000000004 110.069 -179.93 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' D' ' 319' ' ' LYS . 53.9 mttp 53.83 70.64 1.65 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.042 -1.036 . . . . 6.5 109.635 179.812 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.08 9.29 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.084 0 C-N-CA 121.574 1.516 . . . . 4.5 110.149 -179.755 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.2 mt -80.93 39.93 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.195 -0.941 . . . . 4.3200000000000003 109.305 179.985 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -78.55 -133.38 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.641 -0.662 . . . . 2.46 109.828 -179.611 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.91 154.36 53.05 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.846 -1.302 . . . . 0.96999999999999997 109.846 -179.616 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.2 140.75 55.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.38 -1.071 . . . . 1.6699999999999999 109.455 179.927 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.26 156.14 17.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.21 -0.931 . . . . 0.60999999999999999 109.583 179.991 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -137.84 -169.61 2.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.56000000000000005 109.053 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 31.6 p -152.67 148.66 27.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.034 -1.041 . . . . 0.42999999999999999 109.026 -179.907 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 58.1 tp -141.3 132.87 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.434 -0.791 . . . . 0.34999999999999998 109.895 -178.738 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.34 127.64 34.42 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.739 -0.838 . . . . 1.3700000000000001 108.739 179.251 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.69 117.84 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.508 -0.745 . . . . 0.47999999999999998 109.198 -179.663 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -75.32 149.97 38.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 2.0800000000000001 110.104 -179.753 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.95 135.69 5.5 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.4 -1.08 . . . . 0.40000000000000002 110.4 179.204 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -81.93 -53.23 6.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.418 -1.048 . . . . 2.6400000000000001 109.235 179.55 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -58.96 -40.15 83.85 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.157 -0.964 . . . . 2.2200000000000002 108.657 179.476 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH1' ' OD2' ' B' ' 352' ' ' ASP . 4.8 ttt180 -63.28 -43.43 97.95 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.759 -0.83 . . . . 2.7400000000000002 108.759 179.604 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -56.65 -53.19 60.57 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.698 -0.626 . . . . 0.42999999999999999 109.547 179.823 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.03 -36.23 38.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 1.6899999999999999 110.126 -179.528 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -63.06 -50.16 71.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.096 -1.002 . . . . 0.42999999999999999 110.285 -179.223 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.92 -44.56 97.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.27000000000000002 109.27 -179.801 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -51.4 -41.58 60.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 2.4500000000000002 109.438 179.826 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -60.38 -45.18 94.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.909 . . . . 1.75 109.829 -179.77 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.7 -46.13 91.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 0.31 109.309 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.64 -48.57 80.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.22 109.333 179.736 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.85 -41.79 99.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.73 109.726 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.37 -52.2 66.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.352 -0.842 . . . . 0.28000000000000003 109.888 -179.724 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.44 -43.25 99.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.146 -0.971 . . . . 0.31 109.116 179.981 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.84 -34.8 73.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 1.9099999999999999 109.135 179.538 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.509 HD11 HE22 ' C' ' 354' ' ' GLN . 27.1 tp -63.67 -49.08 74.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 109.614 -179.895 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.34 -40.97 98.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 1.5700000000000001 108.868 179.818 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.412 ' OD2' ' NH1' ' B' ' 337' ' ' ARG . 56.1 m-20 -56.71 -32.04 65.09 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.684 -0.635 . . . . 1.4399999999999999 109.495 179.874 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.9 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 0.64000000000000001 109.729 -179.876 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.513 HE22 HD11 ' C' ' 350' ' ' LEU . 27.7 mt-30 -80.99 -2.13 46.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.279 -0.888 . . . . 1.21 109.522 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -71.11 -80.67 0.05 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 1.22 109.709 -179.881 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -65.13 11.71 0.29 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.307 -1.117 . . . . 1.5 110.307 -179.618 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' D' ' 355' ' ' ALA . 26.0 tptp -84.86 -90.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.983 -1.304 . . . . 4.1799999999999997 109.132 179.993 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.35 151.4 5.29 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.134 -0.979 . . . . 5.6699999999999999 109.086 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -55.47 104.92 0.14 Allowed 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 121.021 1.147 . . . . 5.6500000000000004 109.867 179.566 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.027 -1.43 . . . . 7.2699999999999996 109.605 179.854 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.425 -0.584 . . . . 7.3300000000000001 109.425 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 321' ' ' LYS . 72.7 mttt 55.09 74.36 0.37 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.205 -0.935 . . . . 7.21 109.356 -179.921 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 320' ' ' LYS . 39.7 mttp 57.49 152.93 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.881 0 N-CA-C 109.531 -0.544 . . . . 6.4699999999999998 109.531 179.949 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 321' ' ' LYS . 1.9 Cg_endo -57.44 -155.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 121.047 1.165 . . . . 4.5300000000000002 109.702 179.43 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 323' ' ' LEU . 11.0 mp -77.84 165.64 23.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.118 -0.989 . . . . 4.3499999999999996 109.042 179.867 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.8 -155.28 0.13 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.328 -0.857 . . . . 2.48 109.697 -179.72 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 173.18 35.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.859 -1.296 . . . . 0.97999999999999998 109.859 -179.863 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.24 140.93 55.49 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.292 -1.122 . . . . 1.7 109.632 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -94.83 155.42 16.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.894 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -138.57 -174.91 3.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.362 -0.836 . . . . 0.57999999999999996 108.985 179.639 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.43 118.25 5.42 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.187 -0.945 . . . . 0.41999999999999998 109.061 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 62.8 tp -109.38 136.54 48.64 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.679 -0.638 . . . . 0.35999999999999999 109.913 -178.731 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.78 128.78 35.32 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.384 -0.822 . . . . 1.3700000000000001 108.906 179.147 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.93 117.13 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.399 -0.813 . . . . 0.46999999999999997 109.432 -179.671 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.01 155.78 34.63 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.612 -0.68 . . . . 2.1000000000000001 109.931 179.973 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 144.64 7.08 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.175 -1.17 . . . . 0.41999999999999998 110.175 179.167 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.6 OUTLIER -81.71 -50.32 9.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.527 -0.984 . . . . 2.6800000000000002 109.218 179.662 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.16 -40.56 81.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.369 -0.832 . . . . 2.2200000000000002 109.229 179.766 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.635 ' CB ' HH11 ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.24 73.38 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.462 -0.774 . . . . 2.77 109.588 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -54.46 -58.28 8.06 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.517 -0.74 . . . . 0.42999999999999999 109.596 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.49 -41.05 60.68 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.677 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.22 -51.75 62.17 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.251 -0.906 . . . . 0.44 110.216 -179.295 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.59 -46.59 89.2 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.081 -1.012 . . . . 0.28999999999999998 108.954 -179.697 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -49.99 -42.31 48.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.377 -0.827 . . . . 2.4399999999999999 109.324 179.611 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.09 -44.66 91.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.267 -0.896 . . . . 1.74 109.737 -179.833 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.65 -46.47 89.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -0.955 . . . . 0.29999999999999999 109.161 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.43 -50.43 73.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.483 -0.761 . . . . 1.22 109.547 179.914 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.39 -35.8 80.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 1.72 109.621 -179.934 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.41 -55.97 27.96 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.414 -0.804 . . . . 0.27000000000000002 110.021 -179.696 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.432 HD13 ' HE ' ' C' ' 337' ' ' ARG . 33.1 mt -60.59 -40.07 90.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 0.28999999999999998 109.307 -179.766 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.89 -38.42 78.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 1.9099999999999999 109.111 179.85 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.58 -45.77 91.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.357 -0.839 . . . . 0.40999999999999998 108.853 179.715 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.91 -52.3 60.48 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.806 0.812 . . . . 1.5600000000000001 108.861 179.207 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -55.18 -34.78 64.16 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.27 -0.641 . . . . 1.4299999999999999 109.27 179.864 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -29.47 69.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.66000000000000003 109.301 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.74 -12.93 55.1 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 1.1799999999999999 109.407 179.946 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.01 65.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 1.23 109.716 -179.863 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.79 -2.88 90.37 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.692 -1.363 . . . . 1.54 109.692 -179.818 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.88 113.24 22.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.26 -1.141 . . . . 4.1799999999999997 109.605 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 360' ' ' GLY . 0.9 OUTLIER -51.11 156.7 1.71 Allowed Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.302 -0.874 . . . . 5.71 108.696 179.898 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.77 3.01 0.24 Allowed 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 121.049 1.166 . . . . 5.6100000000000003 110.139 179.415 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.455 -1.458 . . . . 7.2400000000000002 109.455 -179.923 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.405 -0.591 . . . . 7.3399999999999999 109.405 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 321' ' ' LYS . 72.8 mttt 55.06 74.35 0.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 7.1699999999999999 109.334 -179.953 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 320' ' ' LYS . 39.7 mttp 57.44 153.0 0.08 OUTLIER Pre-proline 0 N--CA 1.498 1.926 0 N-CA-C 109.533 -0.543 . . . . 6.4400000000000004 109.533 -179.995 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' B' ' 321' ' ' LYS . 1.9 Cg_endo -57.52 -155.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 121.011 1.14 . . . . 4.54 109.742 179.449 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 323' ' ' LEU . 11.0 mp -77.82 165.54 24.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 4.3200000000000003 109.033 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.69 -155.33 0.13 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 2.4700000000000002 109.752 -179.806 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.415 ' H ' ' HD2' ' D' ' 333' ' ' ARG . . . -68.78 173.12 34.95 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.762 -1.335 . . . . 0.94999999999999996 109.762 -179.829 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -59.3 140.96 55.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -1.121 . . . . 1.6100000000000001 109.647 -180.0 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.82 155.44 16.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.228 -0.92 . . . . 0.56999999999999995 109.835 -179.966 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -138.64 -175.0 3.98 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.371 -0.83 . . . . 0.53000000000000003 108.989 179.71 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 36.0 p -152.46 118.24 5.4 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.162 -0.961 . . . . 0.38 109.073 -179.986 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 62.7 tp -109.38 136.5 48.71 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.44 0.638 . . . . 0.35999999999999999 109.896 -178.707 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.74 128.77 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 1.3600000000000001 108.896 179.154 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.96 117.2 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 O-C-N 121.47 -0.769 . . . . 0.48999999999999999 109.414 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -76.04 155.8 34.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.597 -0.689 . . . . 2.1000000000000001 109.929 179.974 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.66 7.07 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.187 -1.165 . . . . 0.44 110.187 179.163 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.6 OUTLIER -81.72 -50.31 9.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -1.019 . . . . 2.7200000000000002 109.269 179.644 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.15 -40.56 81.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.406 -0.809 . . . . 2.21 109.216 179.763 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.63 ' CB ' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.07 -50.3 73.18 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.432 -0.793 . . . . 2.79 109.512 -179.994 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.39 -58.26 8.1 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.428 -0.795 . . . . 0.45000000000000001 109.577 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.58 -40.94 60.74 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.254 -0.904 . . . . 1.6799999999999999 109.749 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.3 -51.62 62.58 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.279 -0.888 . . . . 0.42999999999999999 110.275 -179.369 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.62 -46.57 89.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.091 -1.006 . . . . 0.28000000000000003 109.005 -179.731 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -50.01 -42.22 48.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.381 -0.824 . . . . 2.52 109.346 179.606 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.19 -44.52 92.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.75 109.762 -179.849 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.63 -46.49 89.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.31 109.223 179.764 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.51 -50.37 74.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 1.21 109.625 179.859 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.38 -35.87 80.51 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 1.6899999999999999 109.543 -179.94 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.466 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.41 -55.98 27.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.27000000000000002 109.985 -179.669 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -60.64 -40.0 90.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.29999999999999999 109.328 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.94 -38.23 78.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.892 . . . . 1.9299999999999999 109.212 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.83 -45.65 91.63 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.804 -0.813 . . . . 0.40000000000000002 108.804 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -63.99 -52.32 60.14 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.853 -0.795 . . . . 1.5900000000000001 108.853 179.21 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.1 -34.82 64.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.323 -0.621 . . . . 1.4299999999999999 109.323 179.779 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.52 69.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.215 -0.928 . . . . 0.65000000000000002 109.293 179.903 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.63 -13.04 55.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.1899999999999999 109.467 179.957 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -32.08 66.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 1.22 109.806 -179.925 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 -2.9 90.3 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.692 -1.363 . . . . 1.53 109.692 -179.799 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.91 113.16 22.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.251 -1.146 . . . . 4.21 109.565 -179.948 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 360' ' ' GLY . 0.9 OUTLIER -51.03 156.61 1.68 Allowed Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.761 -0.829 . . . . 5.6799999999999997 108.761 179.86 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.76 3.04 0.24 Allowed 'Trans proline' 0 C--N 1.323 -0.806 0 C-N-CA 121.105 1.203 . . . . 5.5700000000000003 110.146 179.436 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.978 -1.457 . . . . 7.2000000000000002 109.481 179.996 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.433 -0.58 . . . . 8.9600000000000009 109.433 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' C' ' 321' ' ' LYS . 72.7 mttt 55.05 74.37 0.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.23 -0.919 . . . . 8.1500000000000004 109.364 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.48 ' O ' ' O ' ' C' ' 320' ' ' LYS . 40.0 mttp 57.46 152.98 0.08 OUTLIER Pre-proline 0 N--CA 1.496 1.864 0 N-CA-C 109.631 -0.507 . . . . 7.1500000000000004 109.631 -179.973 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' C' ' 321' ' ' LYS . 1.9 Cg_endo -57.46 -155.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 121.111 1.208 . . . . 4.3499999999999996 109.711 179.469 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.436 ' N ' HD12 ' C' ' 323' ' ' LEU . 11.0 mp -77.72 165.58 24.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.988 . . . . 4.6299999999999999 109.107 179.73 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.77 -155.25 0.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.404 -0.81 . . . . 2.8500000000000001 109.704 -179.799 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 173.25 35.2 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.883 -1.287 . . . . 1.1200000000000001 109.883 -179.857 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -59.36 140.92 55.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -1.094 . . . . 2.1099999999999999 109.598 -179.914 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -94.8 155.6 16.74 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.303 -0.873 . . . . 0.64000000000000001 109.753 -179.936 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -138.72 -175.02 3.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.365 -0.834 . . . . 0.48999999999999999 108.935 179.694 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 36.1 p -152.43 118.28 5.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.46999999999999997 109.1 179.984 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.41 136.47 48.78 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.663 -0.648 . . . . 0.41999999999999998 109.876 -178.648 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.65 128.75 35.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.415 -0.803 . . . . 1.8100000000000001 108.902 179.09 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.98 117.1 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.487 -0.758 . . . . 0.41999999999999998 109.456 -179.715 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -76.02 155.81 34.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.579 -0.701 . . . . 2.3500000000000001 109.945 -179.993 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.05 144.72 7.11 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.252 -1.139 . . . . 0.40999999999999998 110.252 179.214 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.6 OUTLIER -81.8 -50.35 9.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -1.056 . . . . 2.5899999999999999 109.168 179.708 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -58.12 -40.52 81.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 2.54 109.227 179.789 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.633 ' CB ' HH11 ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.16 -50.25 73.41 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.42 -0.8 . . . . 3.3900000000000001 109.489 -179.964 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -54.43 -58.3 7.99 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.578 -0.701 . . . . 0.46999999999999997 109.581 -179.962 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -51.48 -41.04 60.63 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.753 -179.929 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.6 ttp -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.221 -0.924 . . . . 0.60999999999999999 110.236 -179.345 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -61.48 -46.63 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.11 -0.994 . . . . 0.33000000000000002 109.021 -179.768 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -50.04 -42.23 49.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.2799999999999998 109.312 179.654 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -59.15 -44.62 92.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.78 109.763 -179.861 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.58 -46.61 89.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.149 -0.969 . . . . 0.38 109.138 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.3 -50.52 73.31 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.323 -0.861 . . . . 1.2 109.598 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 2.1200000000000001 109.558 -179.893 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.33 -56.05 27.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 0.26000000000000001 109.952 -179.661 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.431 HD13 ' HE ' ' A' ' 337' ' ' ARG . 33.1 mt -60.67 -40.0 90.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.938 . . . . 0.40000000000000002 109.268 -179.667 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.97 -38.29 78.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.925 . . . . 2.0899999999999999 109.163 179.782 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.85 -45.52 92.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.824 . . . . 0.75 108.783 179.785 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -64.04 -52.34 59.89 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.764 0.793 . . . . 2.1899999999999999 108.895 179.114 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.13 -34.73 64.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 109.35 -0.611 . . . . 1.3400000000000001 109.35 179.758 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.49 69.3 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 0.71999999999999997 109.372 179.83 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.75 -12.88 55.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 1.8 109.413 179.938 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.04 65.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.357 -0.839 . . . . 1.3899999999999999 109.75 -179.875 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.79 -2.8 90.31 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.712 -1.355 . . . . 1.6599999999999999 109.712 -179.874 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.96 113.27 22.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.26 -1.141 . . . . 4.4500000000000002 109.593 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' C' ' 360' ' ' GLY . 0.9 OUTLIER -51.14 156.68 1.74 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.233 -0.917 . . . . 6.1900000000000004 108.671 179.96 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.75 3.05 0.23 Allowed 'Trans proline' 0 C--N 1.322 -0.821 0 C-N-CA 121.038 1.159 . . . . 5.5800000000000001 110.21 179.352 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' C' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.964 -1.465 . . . . 6.9000000000000004 109.565 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.415 -0.587 . . . . 7.3600000000000003 109.415 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' D' ' 321' ' ' LYS . 72.7 mttt 54.95 74.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.21 -0.931 . . . . 7.1500000000000004 109.34 -179.913 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' D' ' 320' ' ' LYS . 39.8 mttp 57.45 153.02 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.906 0 N-CA-C 109.513 -0.551 . . . . 6.5 109.513 179.947 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' D' ' 321' ' ' LYS . 1.9 Cg_endo -57.47 -155.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 121.031 1.154 . . . . 4.5 109.672 179.438 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.44 ' N ' HD12 ' D' ' 323' ' ' LEU . 11.0 mp -77.81 165.55 24.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.104 -0.998 . . . . 4.3200000000000003 109.006 179.84 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.84 -155.23 0.13 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.393 -0.817 . . . . 2.46 109.739 -179.805 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 173.19 35.21 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.837 -1.305 . . . . 0.96999999999999997 109.837 -179.772 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -59.26 140.94 55.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.35 -1.088 . . . . 1.6699999999999999 109.595 -179.959 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.91 155.52 16.73 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.60999999999999999 109.776 -179.919 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -138.67 -175.0 3.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.409 -0.807 . . . . 0.56000000000000005 108.98 179.656 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 35.6 p -152.42 118.49 5.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.23 -0.919 . . . . 0.42999999999999999 109.011 179.972 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 62.9 tp -109.58 136.53 48.81 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.41 0.624 . . . . 0.34999999999999998 109.85 -178.722 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -87.71 128.68 35.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.375 -0.828 . . . . 1.3700000000000001 108.874 179.15 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 46.1 mt -123.93 117.11 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.396 -0.815 . . . . 0.47999999999999998 109.472 -179.749 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.415 ' HD2' ' H ' ' B' ' 325' ' ' GLY . 3.3 ttp180 -75.99 155.66 34.79 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.618 -0.676 . . . . 2.0800000000000001 109.961 -179.953 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.2 144.63 7.18 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.26 -1.136 . . . . 0.40000000000000002 110.26 179.196 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.559 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.6 OUTLIER -81.66 -50.42 9.33 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -1.058 . . . . 2.6400000000000001 109.227 179.663 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -58.03 -40.61 81.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.279 179.752 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.628 ' CB ' HH11 ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.18 -50.16 73.7 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.352 -0.843 . . . . 2.7400000000000002 109.529 -179.98 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.54 -58.19 8.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.48 -0.762 . . . . 0.42999999999999999 109.586 -179.97 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.48 -41.06 60.66 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.272 -0.893 . . . . 1.6899999999999999 109.718 -179.95 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttp -64.2 -51.75 62.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.173 -0.954 . . . . 0.42999999999999999 110.315 -179.343 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.61 -46.44 89.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.191 -0.943 . . . . 0.27000000000000002 109.072 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.11 -42.2 49.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.245 -0.91 . . . . 2.4500000000000002 109.268 179.555 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.16 -44.57 92.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 1.75 109.734 -179.824 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.69 -46.47 89.58 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -0.921 . . . . 0.31 109.148 179.856 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.48 -50.37 73.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.327 -0.858 . . . . 1.22 109.598 179.9 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.47 -35.74 80.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 1.73 109.586 -179.927 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.46 -55.85 29.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.28000000000000003 110.051 -179.737 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.427 HD13 ' HE ' ' B' ' 337' ' ' ARG . 33.8 mt -60.82 -39.91 90.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.896 . . . . 0.31 109.268 -179.705 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.95 -38.38 78.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.178 -0.951 . . . . 1.9099999999999999 109.165 179.75 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.76 -45.55 92.15 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.788 -0.819 . . . . 0.42999999999999999 108.788 179.77 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -64.08 -52.21 60.35 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.751 0.786 . . . . 1.5700000000000001 108.898 179.151 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.16 -34.83 64.15 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 109.329 -0.619 . . . . 1.4399999999999999 109.329 179.742 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.55 69.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.252 -0.905 . . . . 0.64000000000000001 109.336 179.86 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.78 -12.81 55.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.345 -0.847 . . . . 1.21 109.436 179.976 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.08 65.71 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.22 109.664 -179.866 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.78 -2.9 90.38 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.667 -1.373 . . . . 1.5 109.667 -179.79 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -86.9 113.25 22.53 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.297 -1.119 . . . . 4.1799999999999997 109.566 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' D' ' 360' ' ' GLY . 0.9 OUTLIER -51.12 156.7 1.72 Allowed Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.746 -0.835 . . . . 5.6699999999999999 108.746 179.859 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -59.8 3.04 0.24 Allowed 'Trans proline' 0 C--N 1.323 -0.778 0 C-N-CA 121.038 1.159 . . . . 5.6500000000000004 110.167 179.435 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' D' ' 358' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 118.009 -1.439 . . . . 7.2699999999999996 109.55 179.961 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.527 -0.546 . . . . 7.3300000000000001 109.527 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 57.98 11.26 1.39 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.485 -0.759 . . . . 7.21 109.79 -179.978 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 323' ' ' LEU . 99.0 mttt 51.19 81.26 0.26 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.236 -0.915 . . . . 6.4699999999999998 109.778 179.439 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.5 11.98 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.877 0 C-N-CA 121.36 1.373 . . . . 4.5300000000000002 110.039 -179.697 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.7 mt -80.69 37.58 0.42 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.177 -0.952 . . . . 4.3499999999999996 109.327 179.953 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -77.74 -148.68 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.657 -0.652 . . . . 2.48 109.788 -179.601 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 149.83 49.96 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.004 -1.238 . . . . 0.97999999999999998 110.004 -179.615 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.65 134.93 57.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.401 -1.058 . . . . 1.7 109.685 -179.969 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 38.3 m-85 -95.68 158.18 15.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.455 179.674 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -139.62 140.05 36.87 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.425 -0.797 . . . . 0.57999999999999996 108.961 179.428 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 61.3 p -97.75 161.33 13.8 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.325 -0.859 . . . . 0.41999999999999998 109.562 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 34.7 tp -148.55 134.02 18.62 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 0.35999999999999999 109.998 -179.411 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.08 131.63 34.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.483 -0.76 . . . . 1.3700000000000001 109.531 179.588 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 61.9 mt -124.12 117.02 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.215 0 N-CA-C 108.921 -0.77 . . . . 0.46999999999999997 108.921 179.725 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.45 148.79 38.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -0.845 . . . . 2.1000000000000001 109.895 -179.841 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.99 139.85 5.41 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.131 -1.188 . . . . 0.41999999999999998 110.131 179.261 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -84.05 -46.27 12.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.413 -1.051 . . . . 2.6800000000000002 109.283 179.743 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.01 -38.39 76.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.049 -1.032 . . . . 2.2200000000000002 109.07 179.813 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.3 tpp180 -61.8 -37.14 83.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.422 -0.799 . . . . 2.77 109.426 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -56.16 -52.08 65.64 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.451 -0.781 . . . . 0.42999999999999999 109.792 -179.954 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -52.52 -38.3 59.38 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.241 -0.912 . . . . 1.6599999999999999 109.794 -179.69 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.66 14.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.186 -0.946 . . . . 0.44 110.238 -179.407 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.04 -44.07 97.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.28999999999999998 108.574 179.924 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.425 ' HB3' HH11 ' A' ' 342' ' ' ARG . 0.8 OUTLIER -51.49 -42.53 61.74 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.453 -0.78 . . . . 2.4399999999999999 109.454 179.541 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -60.03 -52.87 63.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.74 109.606 -179.796 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.12 -37.3 79.62 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.256 -0.902 . . . . 0.29999999999999999 108.579 179.638 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.36 -55.79 30.48 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.461 -0.774 . . . . 1.22 109.42 179.536 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.98 -32.88 74.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 1.72 109.519 179.911 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.57 -51.35 69.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.27000000000000002 109.605 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.453 HD22 ' NH1' ' C' ' 337' ' ' ARG . 62.7 mt -61.38 -47.68 84.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.28999999999999998 109.356 179.81 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.7 -35.98 73.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 1.9099999999999999 109.234 179.823 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.11 -49.02 73.86 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.333 179.84 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 3.5 ttmp? -62.6 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 1.5600000000000001 108.984 179.92 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.76 -34.11 67.26 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.482 179.742 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.6 82.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.339 -0.85 . . . . 0.66000000000000003 109.716 -179.827 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 64.4 mt-30 -81.27 -2.97 51.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.1799999999999999 109.536 -179.857 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.23 55.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.313 -0.867 . . . . 1.23 109.593 179.994 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.68 -1.51 83.51 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.608 -1.397 . . . . 1.54 109.608 -179.947 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.22 148.54 25.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.229 -1.16 . . . . 4.1799999999999997 109.275 179.987 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -49.55 149.26 4.29 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 5.71 108.962 -179.919 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.72 129.92 37.6 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 120.868 1.045 . . . . 5.6100000000000003 109.877 179.594 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.998 -1.445 . . . . 7.2400000000000002 109.592 -179.937 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.407 -0.59 . . . . 7.3399999999999999 109.407 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 57.99 11.22 1.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.436 -0.79 . . . . 7.1699999999999999 109.808 179.951 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' B' ' 323' ' ' LEU . 99.0 mttt 51.18 81.2 0.27 Allowed Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 6.4400000000000004 109.837 179.501 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -66.41 11.95 0.16 Allowed 'Trans proline' 0 C--N 1.32 -0.962 0 C-N-CA 121.4 1.4 . . . . 4.54 110.111 -179.725 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.9 mt -80.71 37.51 0.42 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 4.3200000000000003 109.408 179.947 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.73 -148.83 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.698 -0.627 . . . . 2.4700000000000002 109.821 -179.6 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 149.71 50.08 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.967 -1.253 . . . . 0.94999999999999996 109.967 -179.592 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.51 134.94 57.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.485 -1.009 . . . . 1.6100000000000001 109.638 179.909 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 37.9 m-85 -95.69 158.13 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.218 -0.926 . . . . 0.56999999999999995 109.481 179.64 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.0 36.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.33 -0.856 . . . . 0.53000000000000003 109.032 179.406 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 61.0 p -97.74 161.43 13.76 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.269 -0.895 . . . . 0.38 109.523 -179.778 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.64 134.01 18.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.862 . . . . 0.35999999999999999 109.893 -179.353 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.49 34.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 1.3600000000000001 109.493 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 61.5 mt -123.91 116.99 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.942 -0.762 . . . . 0.48999999999999999 108.942 179.692 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.437 -0.79 . . . . 2.1000000000000001 109.995 -179.937 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.1 139.86 5.47 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.119 -1.192 . . . . 0.44 110.119 179.266 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -84.14 -46.19 12.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -1.046 . . . . 2.7200000000000002 109.327 179.719 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -58.1 -38.25 76.07 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.265 -0.897 . . . . 2.21 109.155 179.768 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.467 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.3 tpp180 -61.78 -37.14 83.23 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.379 -0.826 . . . . 2.79 109.526 179.735 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.19 -52.09 65.66 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.456 -0.778 . . . . 0.45000000000000001 109.754 -179.957 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.47 -38.38 59.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.285 -0.884 . . . . 1.6799999999999999 109.76 -179.631 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.33 -56.53 15.69 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.219 -0.926 . . . . 0.42999999999999999 110.242 -179.326 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.14 -44.05 97.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.078 -1.014 . . . . 0.28000000000000003 108.493 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.428 HH11 ' HB3' ' B' ' 342' ' ' ARG . 0.8 OUTLIER -51.52 -42.62 61.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.434 -0.791 . . . . 2.52 109.345 179.59 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -60.06 -52.82 63.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -0.917 . . . . 1.75 109.58 -179.717 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.08 -37.45 79.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.508 -0.923 . . . . 0.31 108.508 179.618 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.26 -55.84 29.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.459 -0.776 . . . . 1.21 109.378 179.573 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.95 -32.89 74.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.381 -0.824 . . . . 1.6899999999999999 109.524 179.967 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.55 -51.4 69.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.362 -0.836 . . . . 0.27000000000000002 109.641 -179.901 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.452 HD22 ' NH1' ' D' ' 337' ' ' ARG . 62.6 mt -61.35 -47.76 84.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.303 -0.873 . . . . 0.29999999999999999 109.331 179.832 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -58.53 -36.07 73.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.178 -0.951 . . . . 1.9299999999999999 109.233 179.835 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.13 -49.12 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.399 -0.813 . . . . 0.40000000000000002 109.247 179.961 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' A' ' 347' ' ' ALA . 3.5 ttmp? -62.49 -43.41 98.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.411 -0.805 . . . . 1.5900000000000001 108.964 179.968 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.77 -34.21 67.38 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.597 -0.689 . . . . 1.4299999999999999 109.346 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.7 82.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.65000000000000002 109.712 -179.802 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.527 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 64.7 mt-30 -81.23 -3.02 51.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 1.1899999999999999 109.518 -179.87 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -48.27 55.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 1.22 109.576 179.976 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.72 -1.58 83.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.612 -1.395 . . . . 1.53 109.612 -179.859 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.06 148.53 25.68 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.208 -1.172 . . . . 4.21 109.334 179.912 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -49.52 149.22 4.28 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.32 -0.863 . . . . 5.6799999999999997 108.892 -179.969 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.64 129.92 37.51 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 120.899 1.066 . . . . 5.5700000000000003 109.809 179.53 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.523 -1.431 . . . . 7.2000000000000002 109.523 179.938 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.42 -0.585 . . . . 8.9600000000000009 109.42 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 58.04 11.19 1.39 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.5 -0.75 . . . . 8.1500000000000004 109.809 179.982 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' C' ' 323' ' ' LEU . 99.0 mttt 51.16 81.26 0.26 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.156 -0.965 . . . . 7.1500000000000004 109.822 179.507 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.59 12.14 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.891 0 C-N-CA 121.308 1.339 . . . . 4.3499999999999996 110.046 -179.669 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.8 mt -80.72 37.48 0.42 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.917 . . . . 4.6299999999999999 109.379 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -77.65 -148.77 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.74 -0.6 . . . . 2.8500000000000001 109.768 -179.576 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 149.77 50.02 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.942 -1.263 . . . . 1.1200000000000001 109.942 -179.617 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.61 134.88 57.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.437 -1.037 . . . . 2.1099999999999999 109.678 179.926 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 37.5 m-85 -95.71 158.21 15.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.291 -0.881 . . . . 0.64000000000000001 109.46 179.666 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.63 140.03 36.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.25 -0.906 . . . . 0.48999999999999999 109.02 179.402 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 60.9 p -97.68 161.44 13.76 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.303 -0.873 . . . . 0.46999999999999997 109.552 -179.757 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.66 134.05 18.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.41999999999999998 109.959 -179.43 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.12 131.59 34.1 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.584 -0.698 . . . . 1.8100000000000001 109.506 179.584 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.02 117.03 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 N-CA-C 108.957 -0.757 . . . . 0.41999999999999998 108.957 179.661 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -75.38 148.83 38.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.506 -0.746 . . . . 2.3500000000000001 109.971 -179.928 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.97 139.89 5.41 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.147 -1.181 . . . . 0.40999999999999998 110.147 179.276 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -84.1 -46.17 12.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -1.078 . . . . 2.5899999999999999 109.343 179.702 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -58.09 -38.27 76.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.164 -0.96 . . . . 2.54 109.083 179.821 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.453 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -61.78 -37.18 83.39 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.404 -0.81 . . . . 3.3900000000000001 109.451 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.08 -52.2 65.15 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.469 -0.77 . . . . 0.46999999999999997 109.738 -179.904 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.46 -38.38 59.16 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.745 -179.609 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.0 ttp -63.28 -56.66 14.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.199 -0.938 . . . . 0.60999999999999999 110.218 -179.349 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.05 -44.17 97.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.981 -1.074 . . . . 0.33000000000000002 108.554 179.939 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.431 ' HB3' HH11 ' C' ' 342' ' ' ARG . 0.8 OUTLIER -51.33 -42.62 61.36 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.548 -0.72 . . . . 3.2799999999999998 109.514 179.46 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.02 -52.83 63.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.188 -0.945 . . . . 1.78 109.612 -179.776 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.13 -37.35 79.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.38 108.536 179.606 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.3 -55.8 30.31 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.459 -0.776 . . . . 1.2 109.383 179.571 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.06 -32.89 74.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.288 -0.882 . . . . 2.1200000000000001 109.448 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -51.27 70.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.838 . . . . 0.26000000000000001 109.57 -179.836 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.471 HD22 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.4 -47.67 84.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 0.40000000000000002 109.347 179.825 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -58.7 -35.99 73.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.231 -0.918 . . . . 2.0899999999999999 109.196 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.09 -49.11 73.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.75 109.283 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 3.5 ttmp? -62.52 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.433 -0.792 . . . . 2.1899999999999999 108.963 -179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.78 -34.18 67.38 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.582 -0.699 . . . . 1.3400000000000001 109.444 179.794 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.69 83.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -0.869 . . . . 0.71999999999999997 109.705 -179.869 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.54 ' NE2' ' NE2' ' D' ' 354' ' ' GLN . 64.6 mt-30 -81.34 -2.85 50.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.198 -0.939 . . . . 1.8 109.573 -179.858 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.24 55.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 1.3899999999999999 109.576 179.938 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.71 -1.5 83.65 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.577 -1.409 . . . . 1.6599999999999999 109.577 -179.9 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.12 148.51 25.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -1.186 . . . . 4.4500000000000002 109.398 179.853 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -49.48 149.22 4.21 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 6.1900000000000004 108.961 -179.94 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -54.68 129.91 37.49 Favored 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 120.831 1.02 . . . . 5.5800000000000001 109.897 179.546 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 118.005 -1.442 . . . . 6.9000000000000004 109.608 -179.959 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.417 -0.586 . . . . 7.3600000000000003 109.417 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? 58.07 11.18 1.41 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.436 -0.79 . . . . 7.1500000000000004 109.719 179.984 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.501 ' C ' ' H ' ' D' ' 323' ' ' LEU . 99.0 mttt 51.2 81.16 0.27 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 6.5 109.866 179.506 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -66.43 11.95 0.16 Allowed 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.387 1.391 . . . . 4.5 110.035 -179.673 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.8 mt -80.68 37.55 0.42 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 4.3200000000000003 109.38 179.922 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.73 -148.74 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.597 -0.69 . . . . 2.46 109.842 -179.633 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.57 149.78 50.03 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.96 -1.256 . . . . 0.96999999999999997 109.96 -179.601 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -60.52 134.86 57.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.384 -1.068 . . . . 1.6699999999999999 109.696 179.877 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 38.3 m-85 -95.73 158.16 15.57 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.182 -0.949 . . . . 0.60999999999999999 109.433 179.65 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.6 140.1 36.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.56000000000000005 108.964 179.405 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 61.1 p -97.76 161.31 13.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.273 -0.892 . . . . 0.42999999999999999 109.525 -179.771 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 34.9 tp -148.56 134.06 18.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.176 -0.953 . . . . 0.34999999999999998 109.884 -179.405 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -87.11 131.58 34.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.498 -0.751 . . . . 1.3700000000000001 109.481 179.555 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 61.7 mt -123.99 116.99 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.948 -0.76 . . . . 0.47999999999999998 108.948 179.665 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -75.43 148.79 38.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.456 -0.778 . . . . 2.0800000000000001 110.002 -179.912 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.05 139.83 5.44 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 110.105 -1.198 . . . . 0.40000000000000002 110.105 179.285 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -84.08 -46.21 12.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -1.143 . . . . 2.6400000000000001 109.303 179.727 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -58.08 -38.27 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.108 179.797 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.452 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.3 tpp180 -61.86 -37.15 83.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.375 -0.828 . . . . 2.7400000000000002 109.413 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -56.09 -52.17 65.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.504 -0.748 . . . . 0.42999999999999999 109.767 -179.961 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -52.44 -38.39 59.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.6899999999999999 109.78 -179.664 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttp -63.24 -56.58 15.42 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.251 -0.906 . . . . 0.42999999999999999 110.3 -179.376 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.22 -44.03 97.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.007 -1.058 . . . . 0.27000000000000002 108.534 179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.43 HH11 ' HB3' ' D' ' 342' ' ' ARG . 0.8 OUTLIER -51.42 -42.56 61.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.498 -0.751 . . . . 2.4500000000000002 109.433 179.491 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.96 -52.96 63.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 1.75 109.59 -179.797 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 40.3 mt -60.08 -37.31 79.53 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.927 . . . . 0.31 108.57 179.647 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -58.38 -55.78 30.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.495 -0.753 . . . . 1.22 109.391 179.556 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -62.99 -32.98 74.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.345 -0.847 . . . . 1.73 109.442 179.941 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.612 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.5 -51.36 69.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.35 -0.844 . . . . 0.28000000000000003 109.634 -179.823 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.467 HD22 ' NH1' ' B' ' 337' ' ' ARG . 62.5 mt -61.35 -47.62 85.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.31 109.394 179.778 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -58.76 -36.03 73.71 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 1.9099999999999999 109.155 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 29.5 tp -64.03 -49.15 73.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 109.26 179.893 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 3.5 ttmp? -62.56 -43.39 98.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.292 -0.88 . . . . 1.5700000000000001 108.977 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.73 -34.18 67.26 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.63 -0.669 . . . . 1.4399999999999999 109.458 179.76 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.68 82.83 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.64000000000000001 109.75 -179.834 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.54 ' NE2' ' NE2' ' C' ' 354' ' ' GLN . 64.6 mt-30 -81.2 -3.05 51.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.85 . . . . 1.21 109.574 -179.896 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.12 56.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.294 -0.879 . . . . 1.22 109.619 -179.953 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.78 -1.5 84.05 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.595 -1.402 . . . . 1.5 109.595 -179.965 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -86.12 148.48 25.67 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -1.16 . . . . 4.1799999999999997 109.338 179.89 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -49.57 149.24 4.34 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.382 -0.824 . . . . 5.6699999999999999 108.967 -179.906 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.59 129.85 37.11 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 120.921 1.081 . . . . 5.6500000000000004 109.88 179.563 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.465 -1.454 . . . . 7.2699999999999996 109.465 179.958 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' C' C ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' D' D ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 321' ' ' LYS . 65.3 mmtt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.467 -0.568 . . . . 7.3300000000000001 109.467 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.82 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.521 -0.737 . . . . 7.21 109.966 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 60.3 69.42 1.18 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.833 . . . . 6.4699999999999998 109.683 -179.838 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.27 -147.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.08 0 C-N-CA 121.454 1.436 . . . . 4.5300000000000002 109.673 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.71 126.79 31.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.009 -1.057 . . . . 4.3499999999999996 109.294 179.965 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -80.33 -127.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 2.48 110.068 -179.515 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 156.62 53.16 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.013 -1.235 . . . . 0.97999999999999998 110.013 -179.517 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.88 141.4 55.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.456 -1.026 . . . . 1.7 109.493 179.936 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -97.65 149.4 22.31 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.203 -0.936 . . . . 0.60999999999999999 110.05 -179.812 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -138.98 138.6 37.43 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.545 -0.909 . . . . 0.57999999999999996 108.545 179.059 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 17.9 p -98.03 163.96 12.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.396 -0.815 . . . . 0.41999999999999998 109.249 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.84 131.36 15.78 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 0.35999999999999999 109.859 -179.184 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.18 127.23 34.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 1.3700000000000001 108.838 179.52 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.33 113.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.458 -0.777 . . . . 0.46999999999999997 109.659 -179.512 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.423 ' CG ' HH11 ' A' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.44 32.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 2.1000000000000001 109.808 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 134.57 3.16 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.016 -1.234 . . . . 0.41999999999999998 110.016 179.442 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.94 -48.81 11.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -1.133 . . . . 2.6800000000000002 109.211 179.66 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.62 -42.43 88.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.357 -0.839 . . . . 2.2200000000000002 109.154 179.77 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.67 -43.74 97.3 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.403 -0.81 . . . . 2.77 109.257 179.865 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -55.38 -56.48 19.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.559 -0.713 . . . . 0.42999999999999999 109.541 179.897 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.24 -38.94 28.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.328 -0.858 . . . . 1.6599999999999999 109.781 -179.625 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.12 -54.22 41.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 0.44 110.079 -179.454 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.83 -45.76 93.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.28999999999999998 108.972 -179.986 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.21 59.3 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.354 -0.841 . . . . 2.4399999999999999 109.284 179.869 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.21 -51.88 64.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.054 -1.029 . . . . 1.74 109.498 179.754 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.15 -35.93 74.38 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.695 -0.854 . . . . 0.29999999999999999 108.695 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.47 -56.97 15.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.475 -0.766 . . . . 1.22 109.225 179.453 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.01 -29.48 70.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 1.72 109.716 -179.968 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.5 -55.23 37.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.241 -0.912 . . . . 0.27000000000000002 109.944 -179.581 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.66 -40.72 93.1 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 0.28999999999999998 109.405 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.72 -36.19 78.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.473 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 350' ' ' LEU . 2.0 tt -64.24 -52.85 56.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.265 -0.897 . . . . 0.40999999999999998 109.124 179.994 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.444 ' CB ' ' NZ ' ' A' ' 351' ' ' LYS . 3.0 ttmp? -61.93 -47.32 85.42 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.382 -0.824 . . . . 1.5600000000000001 109.052 179.689 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -35.66 71.64 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.484 -0.76 . . . . 1.4299999999999999 109.054 179.682 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.42 72.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.339 -0.851 . . . . 0.66000000000000003 109.513 -179.989 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -82.0 -4.62 57.13 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.296 -0.877 . . . . 1.1799999999999999 109.725 -179.825 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -70.02 -81.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.196 -0.94 . . . . 1.23 110.466 -179.373 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.57 5.21 1.17 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.784 -0.926 . . . . 1.54 110.784 -178.876 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 355' ' ' ALA . 71.6 tttt -87.14 7.38 28.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.844 -1.386 . . . . 4.1799999999999997 109.332 179.966 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.22 108.4 0.76 Allowed Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.337 -0.852 . . . . 5.71 109.564 179.862 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.48 145.54 95.56 Favored 'Trans proline' 0 C--O 1.214 -0.7 0 N-CA-C 109.776 -0.894 . . . . 5.6100000000000003 109.776 -179.676 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 CA-C-O 117.976 -1.458 . . . . 7.2400000000000002 109.591 -179.992 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 321' ' ' LYS . 65.2 mmtt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.51 -0.552 . . . . 7.3399999999999999 109.51 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.75 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.7 . . . . 7.1699999999999999 109.988 179.956 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 60.24 69.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.445 -0.784 . . . . 6.4400000000000004 109.763 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.26 -148.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.514 1.476 . . . . 4.54 109.615 -179.974 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.62 126.93 31.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.045 -1.035 . . . . 4.3200000000000003 109.247 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -80.44 -127.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.339 -0.851 . . . . 2.4700000000000002 109.99 -179.529 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.18 156.54 52.91 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.078 -1.209 . . . . 0.94999999999999996 110.078 -179.577 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.87 141.38 55.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.417 -1.049 . . . . 1.6100000000000001 109.473 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -97.72 149.38 22.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.29 -0.881 . . . . 0.56999999999999995 110.059 -179.791 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.47 37.17 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.552 -0.907 . . . . 0.53000000000000003 108.552 179.156 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -97.98 163.82 12.61 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.316 -0.865 . . . . 0.38 109.295 -179.873 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -148.64 131.47 16.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.35999999999999999 109.907 -179.249 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.14 127.19 34.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 1.3600000000000001 108.878 179.471 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.79 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.518 -0.739 . . . . 0.48999999999999999 109.634 -179.509 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.412 HH11 ' CG ' ' B' ' 333' ' ' ARG . 1.1 ttt-85 -76.82 155.43 33.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 2.1000000000000001 109.752 179.717 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.06 134.51 3.11 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.036 -1.225 . . . . 0.44 110.036 179.391 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.63 12.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -1.122 . . . . 2.7200000000000002 109.247 179.689 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.83 -42.38 89.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 2.21 109.083 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.77 -43.63 97.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.278 179.861 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.39 -56.47 19.71 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.527 -0.733 . . . . 0.45000000000000001 109.522 179.854 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.27 -38.88 28.64 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.323 -0.86 . . . . 1.6799999999999999 109.834 -179.635 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.1 -54.21 41.45 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.218 -0.926 . . . . 0.42999999999999999 110.078 -179.455 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.87 -45.82 93.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.119 -0.988 . . . . 0.28000000000000003 108.903 -179.927 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.53 -40.24 59.27 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.428 -0.795 . . . . 2.52 109.281 179.906 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -63.17 -51.88 64.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.091 -1.006 . . . . 1.75 109.526 179.782 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -59.05 -35.94 74.18 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.31 108.674 179.871 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -58.63 -56.86 16.72 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.52 -0.737 . . . . 1.21 109.2 179.601 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.01 -29.57 70.71 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.333 -0.854 . . . . 1.6899999999999999 109.633 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.46 -55.28 37.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.907 . . . . 0.27000000000000002 109.958 -179.524 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.66 -40.61 92.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.242 -0.911 . . . . 0.29999999999999999 109.457 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.8 -36.25 78.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.226 -0.921 . . . . 1.9299999999999999 109.418 179.873 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 350' ' ' LEU . 2.0 tt -64.18 -52.8 57.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.40000000000000002 109.044 -179.963 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.427 ' CB ' ' NZ ' ' B' ' 351' ' ' LYS . 3.0 ttmp? -62.01 -47.39 84.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.389 -0.82 . . . . 1.5900000000000001 109.025 179.745 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -35.71 71.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.093 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.49 73.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.307 -0.871 . . . . 0.65000000000000002 109.539 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.408 ' NE2' HD11 ' A' ' 350' ' ' LEU . 5.1 tt0 -81.93 -4.75 57.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.326 -0.859 . . . . 1.1899999999999999 109.747 -179.784 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -69.99 -81.82 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.94 . . . . 1.22 110.448 -179.35 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.6 5.24 1.17 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.747 -0.941 . . . . 1.53 110.747 -178.825 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' B' ' 355' ' ' ALA . 71.7 tttt -87.11 7.34 28.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.811 -1.406 . . . . 4.21 109.405 179.932 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.17 108.45 0.77 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.337 -0.852 . . . . 5.6799999999999997 109.557 179.866 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.47 145.59 95.57 Favored 'Trans proline' 0 C--O 1.215 -0.643 0 N-CA-C 109.748 -0.905 . . . . 5.5700000000000003 109.748 -179.694 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 117.979 -1.456 . . . . 7.2000000000000002 109.527 179.968 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' C' ' 321' ' ' LYS . 65.3 mmtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.449 -0.574 . . . . 8.9600000000000009 109.449 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt 54.86 -82.21 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.564 -0.71 . . . . 8.1500000000000004 109.958 179.979 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 60.26 69.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.368 -0.833 . . . . 7.1500000000000004 109.777 -179.794 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -60.2 -147.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.012 0 C-N-CA 121.503 1.469 . . . . 4.3499999999999996 109.59 -179.978 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.7 126.89 31.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.974 -1.079 . . . . 4.6299999999999999 109.266 179.963 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -80.46 -127.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 2.8500000000000001 109.961 -179.492 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.27 156.5 52.99 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.083 -1.207 . . . . 1.1200000000000001 110.083 -179.491 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.82 141.47 55.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.434 -1.039 . . . . 2.1099999999999999 109.475 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.63 149.45 22.23 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.214 -0.929 . . . . 0.64000000000000001 110.065 -179.862 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.06 138.65 37.32 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.485 -0.931 . . . . 0.48999999999999999 108.485 179.069 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -98.11 163.83 12.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.285 -0.885 . . . . 0.46999999999999997 109.28 -179.915 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.3 tp -148.72 131.51 16.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.174 -0.954 . . . . 0.41999999999999998 109.91 -179.292 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.16 127.28 34.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.824 . . . . 1.8100000000000001 108.828 179.525 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.47 113.79 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.55 -0.719 . . . . 0.41999999999999998 109.584 -179.508 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CG ' HH11 ' C' ' 333' ' ' ARG . 1.1 ttt-85 -76.86 155.5 32.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 2.3500000000000001 109.735 179.735 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.04 134.49 3.09 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.053 -1.219 . . . . 0.40999999999999998 110.053 179.441 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -80.86 -48.81 11.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -1.081 . . . . 2.5899999999999999 109.201 179.674 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.71 -42.35 88.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.336 -0.852 . . . . 2.54 109.113 179.806 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.377 -0.827 . . . . 3.3900000000000001 109.199 179.84 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -55.4 -56.44 20.06 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 109.505 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.2 -39.0 28.0 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 109.804 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.11 -54.24 40.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.245 -0.91 . . . . 0.60999999999999999 110.079 -179.439 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.66 -45.92 92.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.141 -0.974 . . . . 0.33000000000000002 108.923 -179.969 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.5 -40.26 59.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.4 -0.813 . . . . 3.2799999999999998 109.335 179.951 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.13 -51.88 64.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.0 -1.063 . . . . 1.78 109.545 179.694 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.16 -35.91 74.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.38 108.673 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -58.6 -56.87 16.56 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.458 -0.776 . . . . 1.2 109.214 179.545 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.08 -29.52 70.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.684 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.51 -55.12 39.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.303 -0.873 . . . . 0.26000000000000001 110.069 -179.618 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.74 -40.56 92.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -0.993 . . . . 0.40000000000000002 109.446 -179.852 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -60.8 -36.24 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 2.0899999999999999 109.51 179.819 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' D' ' 350' ' ' LEU . 2.0 tt -64.21 -52.82 56.99 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.888 . . . . 0.75 109.044 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' C' ' 351' ' ' LYS . 3.0 ttmp? -61.98 -47.32 85.36 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.452 -0.78 . . . . 2.1899999999999999 109.079 179.73 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -35.73 71.62 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.498 -0.751 . . . . 1.3400000000000001 109.074 179.669 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.35 72.7 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.389 -0.819 . . . . 0.71999999999999997 109.527 -179.974 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.436 ' NE2' HD11 ' D' ' 350' ' ' LEU . 5.1 tt0 -82.03 -4.64 57.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 1.8 109.761 -179.846 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -69.98 -81.81 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 1.3899999999999999 110.484 -179.399 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.58 5.26 1.16 Allowed Glycine 0 N--CA 1.493 2.498 0 C-N-CA 120.341 -0.933 . . . . 1.6599999999999999 110.848 -178.914 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' C' ' 355' ' ' ALA . 71.6 tttt -87.12 7.34 28.48 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.828 -1.396 . . . . 4.4500000000000002 109.388 179.94 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.16 108.39 0.76 Allowed Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.354 -0.841 . . . . 6.1900000000000004 109.527 179.849 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.49 145.54 95.54 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 N-CA-C 109.782 -0.891 . . . . 5.5800000000000001 109.782 -179.716 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.013 -1.437 . . . . 6.9000000000000004 109.603 -179.982 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' D' ' 321' ' ' LYS . 65.2 mmtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.455 -0.572 . . . . 7.3600000000000003 109.455 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 54.81 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.538 -0.726 . . . . 7.1500000000000004 109.964 -179.999 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 60.28 69.4 1.19 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.459 -0.776 . . . . 6.5 109.712 -179.823 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -60.29 -147.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.482 1.455 . . . . 4.5 109.562 -179.991 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.7 126.93 31.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.009 . . . . 4.3200000000000003 109.217 -179.91 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -80.44 -127.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.356 -0.84 . . . . 2.46 109.993 -179.524 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 156.43 52.98 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.055 -1.218 . . . . 0.96999999999999997 110.055 -179.534 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.82 141.42 55.36 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -1.016 . . . . 1.6699999999999999 109.481 179.868 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -97.69 149.39 22.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.60999999999999999 110.058 -179.832 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -139.01 138.53 37.3 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.56 -0.904 . . . . 0.56000000000000005 108.56 179.11 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -97.92 163.87 12.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.313 -0.867 . . . . 0.42999999999999999 109.303 -179.909 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -148.74 131.46 15.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.175 -0.953 . . . . 0.34999999999999998 109.872 -179.315 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.05 127.21 34.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 1.3700000000000001 108.902 179.433 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.6 mt -124.34 113.77 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.519 -0.738 . . . . 0.47999999999999998 109.593 -179.526 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.406 ' CG ' HH11 ' D' ' 333' ' ' ARG . 1.1 ttt-85 -76.87 155.45 32.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 2.0800000000000001 109.788 179.62 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.08 134.61 3.14 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.996 -1.242 . . . . 0.40000000000000002 109.996 179.378 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.94 -48.71 11.92 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.318 -1.107 . . . . 2.6400000000000001 109.242 179.686 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.81 -42.28 88.76 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.319 -0.863 . . . . 2.2200000000000002 109.14 179.818 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.358 -0.838 . . . . 2.7400000000000002 109.253 179.79 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -55.42 -56.45 20.03 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.49 -0.756 . . . . 0.42999999999999999 109.507 179.983 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -49.21 -38.87 27.7 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.867 -179.659 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -63.24 -54.1 42.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 110.085 -179.487 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -60.83 -45.79 93.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.27000000000000002 108.985 -179.976 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -51.56 -40.23 59.32 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.371 -0.83 . . . . 2.4500000000000002 109.31 179.883 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -63.2 -51.79 64.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.052 -1.03 . . . . 1.75 109.545 179.728 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.1 -36.0 74.39 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.268 -0.895 . . . . 0.31 108.693 179.831 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -58.47 -56.96 15.43 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.47 -0.769 . . . . 1.22 109.301 179.449 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.05 -29.48 70.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 1.73 109.765 179.97 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.45 -55.32 36.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.232 -0.917 . . . . 0.28000000000000003 109.942 -179.629 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.55 -40.77 92.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 0.31 109.395 -179.776 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -60.73 -36.28 78.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.209 -0.932 . . . . 1.9099999999999999 109.464 179.918 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.505 HD22 HD22 ' C' ' 350' ' ' LEU . 2.0 tt -64.09 -52.93 56.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.389 -0.82 . . . . 0.42999999999999999 109.063 -179.995 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.434 ' CB ' ' NZ ' ' D' ' 351' ' ' LYS . 3.0 ttmp? -61.94 -47.36 85.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.417 -0.802 . . . . 1.5700000000000001 109.05 179.762 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.96 -35.75 71.59 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.028 -0.73 . . . . 1.4399999999999999 109.028 179.673 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.43 72.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.512 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -82.07 -4.66 57.32 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.3 -0.875 . . . . 1.21 109.7 -179.773 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -70.05 -81.72 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.902 . . . . 1.22 110.498 -179.364 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -64.6 5.31 1.16 Allowed Glycine 0 N--CA 1.494 2.53 0 C-N-CA 120.271 -0.966 . . . . 1.5 110.857 -178.94 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' D' ' 355' ' ' ALA . 71.6 tttt -87.21 7.38 28.61 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.899 -1.354 . . . . 4.1799999999999997 109.336 179.966 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -45.14 108.37 0.76 Allowed Pre-proline 0 N--CA 1.494 1.773 0 O-C-N 121.255 -0.903 . . . . 5.6699999999999999 109.569 179.803 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.45 145.56 95.61 Favored 'Trans proline' 0 C--O 1.217 -0.57 0 N-CA-C 109.793 -0.887 . . . . 5.6500000000000004 109.793 -179.725 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 7.2699999999999996 109.499 -179.989 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.411 -0.588 . . . . 7.3300000000000001 109.411 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm 51.91 -168.71 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 7.21 109.312 -179.991 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 323' ' ' LEU . 5.8 ttpm? 56.67 66.62 3.15 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.459 -0.776 . . . . 6.4699999999999998 110.085 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.94 17.16 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.651 1.567 . . . . 4.5300000000000002 110.021 179.549 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 321' ' ' LYS . 12.5 mt -80.13 32.05 0.27 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 4.3499999999999996 109.695 -179.561 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -77.44 162.87 26.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.523 -0.736 . . . . 2.48 109.418 179.999 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.35 52.9 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.776 -1.33 . . . . 0.97999999999999998 109.776 -179.71 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.8 135.04 57.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.342 -1.093 . . . . 1.7 109.584 -179.909 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -93.95 154.37 17.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.25 -0.906 . . . . 0.60999999999999999 109.464 179.849 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -141.22 137.12 32.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.357 -0.839 . . . . 0.57999999999999996 108.978 179.426 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.86 164.76 12.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.436 -0.79 . . . . 0.41999999999999998 109.313 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.09 131.84 15.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.35999999999999999 109.602 -179.706 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.43 127.35 33.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.407 -0.808 . . . . 1.3700000000000001 109.105 179.621 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 57.1 mt -123.95 115.46 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.592 -0.692 . . . . 0.46999999999999997 109.563 -179.607 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.35 151.05 38.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.43 -0.794 . . . . 2.1000000000000001 109.977 179.716 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.62 4.05 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 110.351 -1.1 . . . . 0.41999999999999998 110.351 179.172 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.03 -44.76 12.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.416 -1.05 . . . . 2.6800000000000002 109.22 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.22 -46.11 86.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.153 -0.967 . . . . 2.2200000000000002 109.083 179.782 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -62.46 -41.56 98.84 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.34 -0.85 . . . . 2.77 109.429 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -54.08 -55.75 24.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.387 -0.821 . . . . 0.42999999999999999 109.321 179.919 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.52 -36.05 54.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.499 -179.828 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.37 -51.95 63.73 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.338 -0.851 . . . . 0.44 110.056 -179.48 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.72 -41.57 95.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.28999999999999998 108.978 -179.85 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.7 -43.22 62.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 2.4399999999999999 109.207 179.603 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' B' ' 351' ' ' LYS . 9.9 tp10 -60.08 -52.05 66.99 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.351 -0.843 . . . . 1.74 109.614 179.92 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.946 . . . . 0.29999999999999999 108.855 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.07 -55.92 28.92 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.392 -0.817 . . . . 1.22 109.433 179.452 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.47 ' HB2' ' HZ1' ' B' ' 351' ' ' LYS . 97.7 mt-10 -63.67 -32.71 74.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.837 . . . . 1.72 110.026 -179.828 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -57.59 -52.75 64.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.27000000000000002 109.987 -179.481 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.66 -43.75 98.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.184 -0.947 . . . . 0.28999999999999998 109.464 -179.878 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.72 -33.56 70.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.9099999999999999 109.56 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.34 -54.33 30.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.40999999999999998 109.407 -179.78 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' B' ' 343' ' ' GLU . 31.5 ttmt -60.97 -38.69 86.82 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.326 -0.859 . . . . 1.5600000000000001 108.987 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -56.99 -42.14 79.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.589 -0.694 . . . . 1.4299999999999999 109.583 179.584 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -22.37 65.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.66000000000000003 109.758 -179.687 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.79 -15.05 49.86 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 1.1799999999999999 109.474 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.01 -2.91 22.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 1.23 109.491 179.693 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.19 -3.14 88.27 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.893 -1.283 . . . . 1.54 109.893 -179.651 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -86.76 103.45 15.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.129 -1.219 . . . . 4.1799999999999997 109.46 179.933 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.7 mt-10 -53.42 -52.06 70.03 Favored Pre-proline 0 N--CA 1.489 1.488 0 O-C-N 121.233 -0.917 . . . . 5.71 109.955 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -61.38 134.49 52.08 Favored 'Trans proline' 0 C--N 1.323 -0.802 0 C-N-CA 120.706 0.937 . . . . 5.6100000000000003 109.938 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 118.02 -1.433 . . . . 7.2400000000000002 109.544 179.748 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.315 -0.624 . . . . 7.3399999999999999 109.315 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 51.95 -168.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.289 -0.882 . . . . 7.1699999999999999 109.303 179.962 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' B' ' 323' ' ' LEU . 5.8 ttpm? 56.66 66.69 3.11 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.438 -0.788 . . . . 6.4400000000000004 110.066 -179.996 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.88 17.04 0.11 Allowed 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 121.609 1.539 . . . . 4.54 110.085 179.513 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' B' ' 321' ' ' LYS . 12.4 mt -80.0 32.07 0.26 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.133 -0.979 . . . . 4.3200000000000003 109.742 -179.548 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -77.58 162.22 27.26 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.496 -0.753 . . . . 2.4700000000000002 109.497 179.982 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.22 153.42 52.9 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.751 -1.34 . . . . 0.94999999999999996 109.751 -179.758 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.06 135.02 57.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.34 -1.094 . . . . 1.6100000000000001 109.518 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -93.81 154.28 17.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.56999999999999995 109.592 179.768 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.12 137.11 32.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.348 -0.845 . . . . 0.53000000000000003 109.002 179.391 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 56.1 p -94.77 164.66 12.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.371 -0.83 . . . . 0.38 109.3 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -150.12 131.91 15.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.217 -0.927 . . . . 0.35999999999999999 109.589 -179.715 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.45 127.14 33.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.802 . . . . 1.3600000000000001 109.082 179.721 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 56.7 mt -123.82 115.49 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.642 -0.661 . . . . 0.48999999999999999 109.564 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -75.56 150.92 37.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.43 -0.794 . . . . 2.1000000000000001 109.893 179.819 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.21 137.73 4.16 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.364 -1.094 . . . . 0.44 110.364 179.261 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.13 -44.67 12.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.527 -0.984 . . . . 2.7200000000000002 109.258 179.561 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.24 -45.99 86.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 2.21 109.101 179.741 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.53 -41.6 98.98 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.359 -0.838 . . . . 2.79 109.4 179.829 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.08 -55.85 23.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 0.45000000000000001 109.289 179.929 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.41 -36.01 53.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 1.6799999999999999 109.613 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.51 -51.93 63.41 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.322 -0.861 . . . . 0.42999999999999999 110.001 -179.429 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.65 -41.61 95.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.006 . . . . 0.28000000000000003 108.977 -179.904 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.84 -43.05 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 2.52 109.24 179.681 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 351' ' ' LYS . 9.9 tp10 -60.0 -52.18 66.48 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.332 -0.855 . . . . 1.75 109.576 179.887 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.17 -39.54 86.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.31 108.887 179.87 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.08 -55.88 29.35 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.404 -0.81 . . . . 1.21 109.43 179.455 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.68 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.416 -0.803 . . . . 1.6899999999999999 109.991 -179.809 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -57.53 -52.79 63.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.887 . . . . 0.27000000000000002 110.037 -179.539 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.59 -43.8 98.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.202 -0.937 . . . . 0.29999999999999999 109.498 -179.92 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.73 -33.54 70.35 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.292 -0.88 . . . . 1.9299999999999999 109.595 -179.997 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.573 HD22 HD22 ' A' ' 350' ' ' LEU . 2.6 tt -65.33 -54.28 31.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.27 -0.893 . . . . 0.40000000000000002 109.431 -179.857 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.47 ' HZ1' ' HB2' ' A' ' 346' ' ' GLU . 31.5 ttmt -60.97 -38.78 87.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.329 -0.857 . . . . 1.5900000000000001 108.994 179.812 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -56.99 -41.96 79.38 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.461 -0.775 . . . . 1.4299999999999999 109.568 179.655 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -22.44 65.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.347 -0.845 . . . . 0.65000000000000002 109.744 -179.712 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.8 -15.0 50.02 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.216 -0.927 . . . . 1.1899999999999999 109.439 179.945 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.05 -2.86 22.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -0.932 . . . . 1.22 109.485 179.746 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.29 -3.09 88.38 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.86 -1.296 . . . . 1.53 109.86 -179.593 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -86.75 103.5 15.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.166 -1.196 . . . . 4.21 109.395 179.968 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.7 mt-10 -53.51 -52.06 70.3 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.154 -0.966 . . . . 5.6799999999999997 109.914 179.569 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -61.36 134.46 51.96 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 C-N-CA 120.694 0.929 . . . . 5.5700000000000003 109.95 -179.75 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.585 -1.406 . . . . 7.2000000000000002 109.585 179.731 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.461 -0.57 . . . . 8.9600000000000009 109.461 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 52.04 -168.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.23 -0.919 . . . . 8.1500000000000004 109.281 -179.999 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' C' ' 323' ' ' LEU . 5.8 ttpm? 56.64 66.63 3.16 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.469 -0.77 . . . . 7.1500000000000004 110.109 179.984 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.81 17.09 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.938 0 C-N-CA 121.696 1.598 . . . . 4.3499999999999996 110.094 179.499 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' C' ' 321' ' ' LYS . 12.6 mt -80.13 32.14 0.27 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 4.6299999999999999 109.664 -179.515 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.5 162.66 26.98 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.504 -0.748 . . . . 2.8500000000000001 109.441 179.969 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.87 153.36 52.9 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.798 -1.321 . . . . 1.1200000000000001 109.798 -179.747 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.91 134.97 57.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -1.077 . . . . 2.1099999999999999 109.653 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -93.73 154.26 17.88 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.235 -0.915 . . . . 0.64000000000000001 109.597 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -141.17 137.14 32.48 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.341 -0.849 . . . . 0.48999999999999999 109.013 179.352 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.2 p -94.77 164.67 12.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.405 -0.809 . . . . 0.46999999999999997 109.297 -179.893 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 37.6 tp -150.08 131.91 15.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 0.41999999999999998 109.627 -179.775 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -84.45 127.2 33.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 1.8100000000000001 109.068 179.702 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.93 115.39 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.581 -0.699 . . . . 0.41999999999999998 109.564 -179.631 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -75.4 151.02 38.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.529 -0.732 . . . . 2.3500000000000001 109.953 179.798 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 137.58 4.05 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.436 -1.066 . . . . 0.40999999999999998 110.436 179.307 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -85.05 -44.68 12.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.357 -1.084 . . . . 2.5899999999999999 109.262 179.508 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -58.2 -46.12 86.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.06 -1.025 . . . . 2.54 109.084 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.52 -41.49 98.89 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.3900000000000001 109.443 179.875 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -54.07 -55.81 23.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.487 -0.758 . . . . 0.46999999999999997 109.348 179.805 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -52.51 -36.01 54.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 109.594 -179.873 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.6 ttp -63.36 -52.0 63.59 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.341 -0.85 . . . . 0.60999999999999999 110.065 -179.508 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.6 -41.61 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.173 -0.954 . . . . 0.33000000000000002 109.083 -179.91 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -51.71 -43.22 62.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.893 . . . . 3.2799999999999998 109.256 179.627 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.496 ' OE2' ' NZ ' ' D' ' 351' ' ' LYS . 9.9 tp10 -59.89 -52.15 66.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.289 -0.882 . . . . 1.78 109.607 179.86 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -60.2 -39.56 86.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.166 -0.959 . . . . 0.38 108.869 179.882 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -59.14 -55.79 30.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.434 -0.791 . . . . 1.2 109.423 179.484 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.71 -32.69 74.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 2.1200000000000001 109.991 -179.835 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -57.54 -52.84 63.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.26000000000000001 110.006 -179.578 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.61 -43.81 98.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.40000000000000002 109.491 -179.856 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.76 -33.52 70.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 2.0899999999999999 109.549 -179.985 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' D' ' 350' ' ' LEU . 2.6 tt -65.36 -54.25 31.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 0.75 109.383 -179.808 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.447 ' HZ1' ' HB2' ' D' ' 346' ' ' GLU . 31.7 ttmt -61.05 -38.67 87.02 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.389 -0.819 . . . . 2.1899999999999999 108.994 179.888 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.06 -41.91 79.59 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 1.3400000000000001 109.554 179.656 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.27 -22.67 65.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.71999999999999997 109.632 -179.71 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.7 -15.0 50.39 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.8 109.483 179.972 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.0 -2.92 23.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.868 . . . . 1.3899999999999999 109.526 179.644 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.28 -3.04 88.34 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.868 -1.293 . . . . 1.6599999999999999 109.868 -179.602 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -86.79 103.42 15.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -1.19 . . . . 4.4500000000000002 109.425 179.951 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.7 mt-10 -53.43 -51.99 70.71 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.253 -0.905 . . . . 6.1900000000000004 110.009 179.567 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.2 Cg_endo -61.38 134.49 52.07 Favored 'Trans proline' 0 C--N 1.324 -0.755 0 C-N-CA 120.706 0.937 . . . . 5.5800000000000001 109.976 -179.82 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 CA-C-O 118.012 -1.438 . . . . 6.9000000000000004 109.541 179.76 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.429 -0.582 . . . . 7.3600000000000003 109.429 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm 51.98 -168.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 7.1500000000000004 109.284 -179.983 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' D' ' 323' ' ' LEU . 5.8 ttpm? 56.72 66.54 3.19 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.507 -0.746 . . . . 6.5 110.122 -179.984 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.81 17.06 0.11 Allowed 'Trans proline' 0 C--N 1.319 -1.006 0 C-N-CA 121.723 1.615 . . . . 4.5 110.064 179.526 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' D' ' 321' ' ' LYS . 12.4 mt -80.08 32.08 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.202 -0.936 . . . . 4.3200000000000003 109.678 -179.557 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -77.46 162.69 26.99 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.517 -0.74 . . . . 2.46 109.507 179.903 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.93 153.45 52.92 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.763 -1.335 . . . . 0.96999999999999997 109.763 -179.671 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -58.83 135.01 57.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.394 -1.063 . . . . 1.6699999999999999 109.619 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.86 154.39 17.75 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.60999999999999999 109.492 179.812 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -141.25 137.07 32.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.325 -0.859 . . . . 0.56000000000000005 109.074 179.365 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 55.3 p -94.8 164.74 12.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.412 -0.805 . . . . 0.42999999999999999 109.26 -179.93 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -150.21 131.84 14.9 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.34999999999999998 109.587 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.4 127.32 33.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 109.125 179.652 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.0 115.52 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.558 -0.714 . . . . 0.47999999999999998 109.535 -179.612 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -75.45 151.02 38.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.486 -0.758 . . . . 2.0800000000000001 109.921 179.755 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.09 137.61 4.04 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 110.406 -1.077 . . . . 0.40000000000000002 110.406 179.253 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -85.11 -44.54 12.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -1.019 . . . . 2.6400000000000001 109.265 179.5 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.39 -46.0 87.22 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -0.933 . . . . 2.2200000000000002 109.067 179.711 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -62.45 -41.65 98.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.505 -0.747 . . . . 2.7400000000000002 109.417 179.774 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.03 -55.84 23.57 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.324 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -52.48 -36.01 54.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.6899999999999999 109.518 -179.863 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.7 ttp -63.44 -51.97 63.44 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.285 -0.884 . . . . 0.42999999999999999 110.031 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.27000000000000002 109.051 -179.912 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -51.74 -43.15 62.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.884 . . . . 2.4500000000000002 109.247 179.602 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' C' ' 351' ' ' LYS . 9.9 tp10 -60.09 -52.15 66.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.296 -0.878 . . . . 1.75 109.516 179.931 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.05 -39.68 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 0.31 108.864 179.873 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -59.11 -55.84 29.87 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.43 -0.794 . . . . 1.22 109.422 179.566 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.447 ' HB2' ' HZ1' ' C' ' 351' ' ' LYS . 97.5 mt-10 -63.76 -32.5 74.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.73 110.072 -179.851 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -57.69 -52.71 64.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.28000000000000003 109.962 -179.536 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.71 -43.73 98.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -0.921 . . . . 0.31 109.41 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -58.77 -33.55 70.43 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.531 -179.971 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.604 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.4 -54.28 31.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.916 . . . . 0.42999999999999999 109.418 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.496 ' NZ ' ' OE2' ' C' ' 343' ' ' GLU . 31.4 ttmt -60.95 -38.77 87.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.335 -0.853 . . . . 1.5700000000000001 108.905 179.838 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.97 -42.04 79.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.603 179.641 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.45 65.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.64000000000000001 109.681 -179.637 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -83.79 -15.03 49.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 1.21 109.397 179.937 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -2.87 22.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 1.22 109.513 179.703 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.24 -3.15 88.33 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.83 -1.308 . . . . 1.5 109.83 -179.588 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -86.84 103.48 15.29 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.126 -1.22 . . . . 4.1799999999999997 109.442 -179.998 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.7 mt-10 -53.46 -51.95 71.12 Favored Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 121.174 -0.954 . . . . 5.6699999999999999 109.964 179.604 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.3 Cg_endo -61.47 134.49 51.73 Favored 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 120.69 0.926 . . . . 5.6500000000000004 109.922 -179.718 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.92 -1.489 . . . . 7.2699999999999996 109.519 179.764 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.261 0.553 . . . . 7.3300000000000001 109.563 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 321' ' ' LYS . 66.4 mttm 53.83 21.08 2.57 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.322 -0.861 . . . . 7.21 109.626 -179.988 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 320' ' ' LYS . 11.9 mptt 58.41 146.96 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 109.544 -0.539 . . . . 6.4699999999999998 109.544 179.855 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.1 -87.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 120.876 1.051 . . . . 4.5300000000000002 109.831 179.586 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -82.08 124.63 30.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.062 -1.024 . . . . 4.3499999999999996 109.531 -179.839 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -80.15 -131.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 2.48 109.39 179.876 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.74 164.08 49.38 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.543 -1.423 . . . . 0.97999999999999998 109.543 -179.937 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.9 130.52 47.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -1.145 . . . . 1.7 109.414 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -94.87 149.22 21.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.228 -0.92 . . . . 0.60999999999999999 110.126 -179.669 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.58 135.13 29.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.378 -0.826 . . . . 0.57999999999999996 108.852 178.918 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.7 p -96.75 162.79 13.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.299 -0.876 . . . . 0.41999999999999998 109.369 -179.87 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.8 tp -149.47 131.06 14.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.153 -0.967 . . . . 0.35999999999999999 109.736 -179.644 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.81 126.42 33.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.806 . . . . 1.3700000000000001 109.023 179.63 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 51.2 mt -124.08 114.62 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 O-C-N 121.611 -0.681 . . . . 0.46999999999999997 109.568 -179.626 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.05 154.92 35.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.852 . . . . 2.1000000000000001 109.737 179.717 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.93 136.42 2.23 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.317 -1.113 . . . . 0.41999999999999998 110.317 179.221 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.49 -42.99 16.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -1.09 . . . . 2.6800000000000002 109.24 179.529 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.64 -47.43 84.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 2.2200000000000002 109.119 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -60.76 -42.75 98.07 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.352 -0.842 . . . . 2.77 109.217 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.93 -56.13 23.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.534 -0.729 . . . . 0.42999999999999999 109.473 179.904 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.79 -37.92 53.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.36 -0.837 . . . . 1.6599999999999999 109.782 -179.846 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.92 -51.39 67.12 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.886 . . . . 0.44 109.953 -179.545 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.17 -0.956 . . . . 0.28999999999999998 108.831 -179.961 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.16 -43.65 61.32 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.359 -0.838 . . . . 2.4399999999999999 109.282 179.523 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.73 -51.09 71.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 1.74 109.777 -179.913 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.32 -38.11 85.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.203 -0.935 . . . . 0.29999999999999999 108.864 179.726 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.12 50.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.439 -0.788 . . . . 1.22 109.299 179.611 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -62.97 -34.11 76.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.72 109.605 179.993 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.54 -52.74 64.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.27000000000000002 110.013 -179.562 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.61 -45.51 93.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 0.28999999999999998 109.424 -179.821 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.18 73.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 1.9099999999999999 109.216 179.805 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.74 -47.68 77.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.431 -0.793 . . . . 0.40999999999999998 109.654 -179.893 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.8 -40.22 96.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 1.5600000000000001 109.035 179.666 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.09 -37.46 69.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.502 -0.749 . . . . 1.4299999999999999 109.23 179.656 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.87 82.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.343 -0.848 . . . . 0.66000000000000003 109.534 179.886 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.643 HE21 ' NE2' ' B' ' 354' ' ' GLN . 60.3 mt-30 -80.79 1.27 31.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.519 -179.864 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.74 -86.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 1.23 109.13 179.891 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.27 96.89 0.64 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.194 -1.562 . . . . 1.54 109.194 179.613 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 357' ' ' LYS . 45.4 pttt -86.11 15.41 5.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -1.175 . . . . 4.1799999999999997 109.393 -179.818 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -49.32 112.85 2.77 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.915 . . . . 5.71 109.326 -179.889 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.14 166.54 8.84 Favored 'Trans proline' 0 C--O 1.215 -0.654 0 C-N-CA 120.641 0.894 . . . . 5.6100000000000003 110.276 -179.661 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 117.935 -1.481 . . . . 7.2400000000000002 109.609 179.81 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 57.9 pttt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.579 -0.526 . . . . 7.3399999999999999 109.579 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 321' ' ' LYS . 66.2 mttm 53.73 21.07 2.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.841 . . . . 7.1699999999999999 109.667 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' B' ' 320' ' ' LYS . 11.9 mptt 58.42 146.92 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.782 0 N-CA-C 109.574 -0.528 . . . . 6.4400000000000004 109.574 179.831 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.02 -87.62 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 120.896 1.064 . . . . 4.54 109.84 179.581 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.88 124.51 29.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.058 -1.026 . . . . 4.3200000000000003 109.66 -179.937 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.12 -131.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.855 . . . . 2.4700000000000002 109.427 179.844 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 164.13 48.61 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.576 -1.41 . . . . 0.94999999999999996 109.576 -179.981 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.99 130.45 47.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -1.133 . . . . 1.6100000000000001 109.431 -179.988 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.8 149.21 21.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.241 -0.912 . . . . 0.56999999999999995 110.207 -179.639 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.6 135.2 29.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.334 -0.854 . . . . 0.53000000000000003 108.826 178.912 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -96.79 162.88 13.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.294 -0.879 . . . . 0.38 109.367 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.48 130.96 14.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.177 -0.952 . . . . 0.35999999999999999 109.808 -179.657 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.73 126.4 33.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 1.3600000000000001 109.032 179.629 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.97 114.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.555 -0.716 . . . . 0.48999999999999999 109.637 -179.73 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -75.99 154.98 35.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 2.1000000000000001 109.763 179.758 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.9 136.45 2.23 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 110.348 -1.101 . . . . 0.44 110.348 179.278 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -83.44 -43.1 16.21 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -1.064 . . . . 2.7200000000000002 109.233 179.437 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.65 -47.35 84.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.184 -0.948 . . . . 2.21 109.135 179.92 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.66 98.15 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.38 -0.825 . . . . 2.79 109.216 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.97 -56.15 22.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.464 -0.773 . . . . 0.45000000000000001 109.403 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.81 -37.94 53.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.32 -0.862 . . . . 1.6799999999999999 109.787 -179.79 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.82 -51.49 66.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.239 -0.913 . . . . 0.42999999999999999 109.963 -179.569 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.09 -43.43 98.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.149 -0.969 . . . . 0.28000000000000003 108.891 -179.968 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -51.25 -43.55 61.54 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.361 -0.837 . . . . 2.52 109.295 179.516 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.07 71.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 1.75 109.71 -179.852 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.29 -38.16 85.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.31 108.852 179.768 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.61 -54.04 51.58 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 1.21 109.343 179.6 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.02 -34.06 76.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 1.6899999999999999 109.672 179.901 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.53 -52.79 64.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.895 . . . . 0.27000000000000002 109.978 -179.593 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 54.7 mt -61.58 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.139 -0.976 . . . . 0.29999999999999999 109.455 -179.803 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.3 -35.27 73.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 1.9299999999999999 109.141 179.859 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.7 tp -64.73 -47.66 77.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.40000000000000002 109.614 -179.829 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -62.74 -40.33 96.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 1.5900000000000001 108.962 179.694 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.03 -37.49 69.27 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.185 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.89 82.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.375 -0.828 . . . . 0.65000000000000002 109.539 179.948 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.643 ' NE2' HE21 ' A' ' 354' ' ' GLN . 60.4 mt-30 -80.72 1.26 30.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.298 -0.876 . . . . 1.1899999999999999 109.522 -179.921 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.76 -86.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.098 -1.001 . . . . 1.22 109.109 179.913 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.33 96.91 0.65 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.212 -1.555 . . . . 1.53 109.212 179.604 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -86.19 15.57 5.09 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.205 -1.173 . . . . 4.21 109.404 -179.788 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.29 112.89 2.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.856 . . . . 5.6799999999999997 109.29 -179.972 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.19 166.59 8.84 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 120.607 0.871 . . . . 5.5700000000000003 110.299 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 118.044 -1.42 . . . . 7.2000000000000002 109.704 179.906 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 57.7 pttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.583 -0.525 . . . . 8.9600000000000009 109.583 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 321' ' ' LYS . 66.4 mttm 53.84 21.13 2.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.397 -0.814 . . . . 8.1500000000000004 109.572 179.973 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 320' ' ' LYS . 11.9 mptt 58.36 146.99 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.788 0 N-CA-C 109.6 -0.519 . . . . 7.1500000000000004 109.6 179.864 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.18 -87.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 120.846 1.031 . . . . 4.3499999999999996 109.797 179.644 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.04 124.64 29.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.084 -1.01 . . . . 4.6299999999999999 109.575 -179.845 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -80.26 -131.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.907 . . . . 2.8500000000000001 109.378 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 164.22 48.68 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.579 -1.408 . . . . 1.1200000000000001 109.579 -179.92 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -59.15 130.46 47.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -1.136 . . . . 2.1099999999999999 109.373 -179.938 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -94.88 149.23 21.47 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.206 -0.934 . . . . 0.64000000000000001 110.158 -179.581 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.58 135.3 29.93 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.767 -0.827 . . . . 0.48999999999999999 108.767 178.989 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.4 p -96.84 162.93 13.19 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.374 -0.829 . . . . 0.46999999999999997 109.387 -179.849 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 38.0 tp -149.61 131.04 14.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.191 -0.943 . . . . 0.41999999999999998 109.685 -179.623 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.85 126.48 33.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 1.8100000000000001 108.976 179.623 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.3 mt -124.03 114.66 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.581 -0.7 . . . . 0.41999999999999998 109.582 -179.645 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.9 35.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.397 -0.814 . . . . 2.3500000000000001 109.765 179.692 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.98 136.54 2.28 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 110.334 -1.106 . . . . 0.40999999999999998 110.334 179.269 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.59 -43.07 16.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -1.095 . . . . 2.5899999999999999 109.184 179.511 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.6 -47.55 83.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 2.54 109.083 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.64 -42.84 97.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.339 -0.85 . . . . 3.3900000000000001 109.18 179.807 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.78 -56.2 21.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.47 -0.769 . . . . 0.46999999999999997 109.481 179.917 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.91 -37.81 53.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.339 -0.85 . . . . 1.6599999999999999 109.795 -179.793 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.86 -51.48 66.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.264 -0.897 . . . . 0.60999999999999999 109.928 -179.607 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.08 -43.51 98.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.33000000000000002 108.82 -179.923 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.18 -43.66 61.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.236 -0.915 . . . . 3.2799999999999998 109.274 179.551 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.77 -51.09 71.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.338 -0.851 . . . . 1.78 109.739 -179.878 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.3 -38.16 85.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 0.38 108.859 179.74 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -58.59 -54.06 51.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.336 -0.852 . . . . 1.2 109.353 179.582 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.05 -33.95 76.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.658 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.66 -52.68 64.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 0.26000000000000001 110.015 -179.622 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.61 -45.47 93.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.885 . . . . 0.40000000000000002 109.479 -179.859 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.23 -35.23 73.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.173 -0.954 . . . . 2.0899999999999999 109.186 179.75 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.428 HD21 ' NE2' ' D' ' 354' ' ' GLN . 6.7 tp -64.69 -47.79 77.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.405 -0.809 . . . . 0.75 109.639 -179.875 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.68 -40.31 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.277 -0.889 . . . . 2.1899999999999999 109.046 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.1 -37.4 69.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.623 -0.673 . . . . 1.3400000000000001 109.219 179.716 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.375 -0.828 . . . . 0.71999999999999997 109.573 179.841 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.522 ' NE2' HE21 ' D' ' 354' ' ' GLN . 60.4 mt-30 -80.81 1.35 30.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.356 -0.84 . . . . 1.8 109.548 -179.885 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.81 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.064 -1.023 . . . . 1.3899999999999999 109.106 179.913 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.24 96.98 0.64 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.168 -1.573 . . . . 1.6599999999999999 109.168 179.599 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -86.21 15.55 5.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.333 -1.098 . . . . 4.4500000000000002 109.428 -179.902 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.31 112.91 2.79 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 6.1900000000000004 109.278 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.19 166.54 8.93 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 120.686 0.924 . . . . 5.5800000000000001 110.233 -179.709 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.419 0 CA-C-O 117.967 -1.463 . . . . 6.9000000000000004 109.65 179.879 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.244 0.545 . . . . 7.3600000000000003 109.58 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 321' ' ' LYS . 66.3 mttm 53.77 21.11 2.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 7.1500000000000004 109.62 -179.925 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' D' ' 320' ' ' LYS . 11.9 mptt 58.39 146.96 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 N-CA-C 109.566 -0.531 . . . . 6.5 109.566 179.821 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.1 -87.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 120.915 1.076 . . . . 4.5 109.867 179.596 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -82.09 124.52 29.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 4.3200000000000003 109.575 -179.882 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -80.03 -131.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 2.46 109.465 179.826 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 164.26 48.43 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.577 -1.409 . . . . 0.96999999999999997 109.577 179.98 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -59.16 130.42 46.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -1.149 . . . . 1.6699999999999999 109.374 -179.98 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -94.84 149.32 21.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.168 -0.957 . . . . 0.60999999999999999 110.094 -179.594 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.67 135.33 29.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.853 . . . . 0.56000000000000005 108.746 178.933 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.1 p -96.86 162.79 13.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.367 -0.833 . . . . 0.42999999999999999 109.352 -179.862 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.9 tp -149.49 131.09 14.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.34999999999999998 109.78 -179.721 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -84.83 126.46 33.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 1.3700000000000001 108.918 179.652 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.4 mt -124.04 114.64 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.522 -0.736 . . . . 0.47999999999999998 109.655 -179.714 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -76.1 154.87 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.308 -0.87 . . . . 2.0800000000000001 109.788 179.773 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.87 136.53 2.23 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 110.353 -1.099 . . . . 0.40000000000000002 110.353 179.292 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -83.55 -42.99 16.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -1.059 . . . . 2.6400000000000001 109.239 179.55 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -58.59 -47.39 84.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.191 -0.943 . . . . 2.2200000000000002 109.186 179.752 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -60.82 -42.74 98.28 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.389 -0.819 . . . . 2.7400000000000002 109.163 179.839 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -54.91 -56.09 23.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.58 -0.7 . . . . 0.42999999999999999 109.481 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.93 -37.88 54.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.764 -179.776 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.84 -51.38 67.23 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.167 -0.958 . . . . 0.42999999999999999 109.999 -179.591 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.15 -43.44 98.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.199 -0.938 . . . . 0.27000000000000002 108.856 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -51.21 -43.53 61.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 109.332 179.515 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.83 -51.04 71.42 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.335 -0.853 . . . . 1.75 109.746 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.35 -38.13 85.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.31 108.847 179.781 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.57 -54.1 50.91 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 1.22 109.352 179.575 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.389 -0.82 . . . . 1.73 109.621 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.57 -52.77 64.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.314 -0.867 . . . . 0.28000000000000003 109.975 -179.582 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.56 -45.48 93.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 0.31 109.506 -179.875 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -59.18 -35.33 73.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.214 -0.929 . . . . 1.9099999999999999 109.182 179.753 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.412 HD21 ' NE2' ' C' ' 354' ' ' GLN . 6.7 tp -64.73 -47.59 77.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.519 -0.738 . . . . 0.42999999999999999 109.677 -179.848 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -62.71 -40.33 96.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 1.5700000000000001 109.031 179.598 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.07 -37.48 69.38 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.586 -0.696 . . . . 1.4399999999999999 109.232 179.722 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.89 82.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 0.64000000000000001 109.546 179.929 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.522 HE21 ' NE2' ' C' ' 354' ' ' GLN . 60.5 mt-30 -80.81 1.41 30.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.913 . . . . 1.21 109.545 -179.897 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.79 -86.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.111 -0.993 . . . . 1.22 109.155 179.79 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.25 96.86 0.64 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.214 -1.555 . . . . 1.5 109.214 179.613 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -86.11 15.57 5.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.226 -1.161 . . . . 4.1799999999999997 109.478 -179.889 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.28 112.94 2.8 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.874 . . . . 5.6699999999999999 109.281 -179.969 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.24 166.55 9.02 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 120.719 0.946 . . . . 5.6500000000000004 110.275 -179.723 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 117.962 -1.466 . . . . 7.2699999999999996 109.643 179.852 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.416 -0.587 . . . . 7.3300000000000001 109.416 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 321' ' ' LYS . 37.7 tttm 73.93 -53.55 0.69 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.679 -0.638 . . . . 7.21 109.513 -179.922 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 323' ' ' LEU . 34.4 mttm 60.53 147.03 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.638 -0.664 . . . . 6.4699999999999998 109.728 179.846 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -65.08 7.96 0.24 Allowed 'Trans proline' 0 N--CA 1.482 0.848 0 C-N-CA 121.197 1.265 . . . . 4.5300000000000002 110.635 179.736 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 321' ' ' LYS . 11.3 mt -80.67 17.31 1.16 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.854 -1.154 . . . . 4.3499999999999996 110.091 -179.536 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.64 -140.1 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.345 -0.847 . . . . 2.48 109.52 179.859 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.62 ' H ' HH21 ' C' ' 333' ' ' ARG . . . -68.77 156.87 53.37 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.681 -1.368 . . . . 0.97999999999999998 109.681 -179.85 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.68 129.96 44.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -1.121 . . . . 1.7 109.539 -179.981 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.65 156.16 16.54 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.307 -0.871 . . . . 0.60999999999999999 110.016 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.83 -169.15 2.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.613 -0.679 . . . . 0.57999999999999996 109.393 -179.907 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 46.3 p -151.5 148.55 28.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.26 -0.9 . . . . 0.41999999999999998 109.012 -179.859 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 59.9 tp -142.0 135.63 29.48 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.352 -0.843 . . . . 0.35999999999999999 109.677 -178.956 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.74 131.48 34.32 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.468 -0.938 . . . . 1.3700000000000001 108.468 178.971 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.62 116.28 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.423 -0.798 . . . . 0.46999999999999997 109.367 -179.545 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.617 HH21 ' H ' ' C' ' 325' ' ' GLY . 29.6 ttt-85 -75.39 149.59 38.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.5 -0.75 . . . . 2.1000000000000001 109.899 -179.93 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.85 134.28 2.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.138 -1.185 . . . . 0.41999999999999998 110.138 179.46 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 335' ' ' ARG . 0.3 OUTLIER -81.39 -45.71 15.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.356 -1.085 . . . . 2.6800000000000002 109.249 179.549 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.75 -41.18 85.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.145 -0.972 . . . . 2.2200000000000002 108.926 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -63.53 -40.34 96.77 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.381 -0.824 . . . . 2.77 109.158 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -55.3 -54.9 37.68 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.505 -0.747 . . . . 0.42999999999999999 109.698 -179.988 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.11 -37.07 52.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.75 -179.91 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.55 -51.3 67.9 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.202 -0.936 . . . . 0.44 110.161 -179.496 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.31 -44.9 96.43 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.189 -0.944 . . . . 0.28999999999999998 109.085 -179.898 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.31 -39.17 56.34 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.272 -0.892 . . . . 2.4399999999999999 109.329 179.768 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.03 -53.96 50.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.266 -0.896 . . . . 1.74 109.854 -179.836 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.37 -39.5 87.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.127 -0.983 . . . . 0.29999999999999999 108.688 179.703 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.99 -55.23 37.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.538 -0.726 . . . . 1.22 109.385 179.629 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.64 -34.33 77.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 1.72 109.652 -179.94 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.79 -50.5 73.71 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.307 -0.871 . . . . 0.27000000000000002 109.674 -179.79 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -62.36 -46.18 89.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.223 -0.923 . . . . 0.28999999999999998 109.314 179.854 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.97 -32.43 69.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.492 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' B' ' 350' ' ' LEU . 2.6 tt -65.12 -52.79 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.332 -0.855 . . . . 0.40999999999999998 109.215 179.943 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' B' ' 346' ' ' GLU . 32.1 ttmt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.377 -0.827 . . . . 1.5600000000000001 109.122 179.873 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.45 68.91 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.583 -0.698 . . . . 1.4299999999999999 109.546 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -36.79 82.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.291 -0.88 . . . . 0.66000000000000003 109.803 -179.638 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.2 -6.97 59.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.24 -0.912 . . . . 1.1799999999999999 109.544 -179.851 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.54 -11.05 60.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 1.23 109.332 179.917 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 -3.26 86.56 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.59 -1.404 . . . . 1.54 109.59 179.971 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.77 -79.2 0.25 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -1.145 . . . . 4.1799999999999997 109.741 -179.671 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -45.34 108.76 0.81 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.385 -0.822 . . . . 5.71 109.734 -179.635 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.5 155.29 58.98 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 120.637 0.892 . . . . 5.6100000000000003 110.061 -179.698 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.407 -1.477 . . . . 7.2400000000000002 109.407 179.908 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.384 -0.599 . . . . 7.3399999999999999 109.384 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 321' ' ' LYS . 37.8 tttm 73.96 -53.5 0.69 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.628 -0.67 . . . . 7.1699999999999999 109.514 -179.925 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' B' ' 323' ' ' LEU . 34.4 mttm 60.48 147.0 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 6.4400000000000004 109.767 179.811 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -65.08 8.12 0.24 Allowed 'Trans proline' 0 N--CA 1.482 0.85 0 C-N-CA 121.068 1.178 . . . . 4.54 110.641 179.76 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' B' ' 321' ' ' LYS . 11.3 mt -80.8 17.27 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.968 -1.083 . . . . 4.3200000000000003 110.059 -179.465 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.46 -140.13 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.468 -0.77 . . . . 2.4700000000000002 109.604 179.796 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.632 ' H ' HH21 ' D' ' 333' ' ' ARG . . . -68.83 156.87 53.43 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.681 -1.368 . . . . 0.94999999999999996 109.681 -179.913 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.69 129.97 44.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.312 -1.111 . . . . 1.6100000000000001 109.472 -179.88 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -94.65 156.22 16.51 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.56999999999999995 109.935 -179.861 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -136.83 -169.12 2.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.495 -0.753 . . . . 0.53000000000000003 109.42 -179.986 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.0 p -151.54 148.54 28.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.142 -0.974 . . . . 0.38 109.001 -179.835 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.03 135.65 29.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -0.865 . . . . 0.35999999999999999 109.71 -178.965 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.76 131.47 34.31 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.438 -0.949 . . . . 1.3600000000000001 108.438 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.54 116.19 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.502 -0.749 . . . . 0.48999999999999999 109.492 -179.62 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.616 HH21 ' H ' ' D' ' 325' ' ' GLY . 29.6 ttt-85 -75.3 149.55 38.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.501 -0.749 . . . . 2.1000000000000001 109.9 -179.924 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.28 2.97 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.11 -1.196 . . . . 0.44 110.11 179.422 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.58 HH11 ' CG ' ' B' ' 335' ' ' ARG . 0.3 OUTLIER -81.33 -45.87 15.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.401 -1.058 . . . . 2.7200000000000002 109.158 179.613 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.77 -41.07 85.72 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.102 -0.999 . . . . 2.21 108.947 179.677 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -63.65 -40.25 96.4 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.33 -0.856 . . . . 2.79 109.125 179.667 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -55.41 -54.87 38.37 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.593 -0.692 . . . . 0.45000000000000001 109.598 -179.885 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -52.09 -37.11 52.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.723 -179.884 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.46 -51.34 67.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.256 -0.902 . . . . 0.42999999999999999 110.2 -179.534 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.32 -44.8 96.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.28000000000000003 109.116 -179.923 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.36 -39.2 56.61 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.228 -0.92 . . . . 2.52 109.236 179.765 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.1 -54.03 49.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 1.75 109.783 -179.735 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.28 -39.53 87.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.065 -1.022 . . . . 0.31 108.651 179.737 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.97 -55.28 37.2 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.542 -0.724 . . . . 1.21 109.398 179.661 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.43 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . 43.9 mt-10 -63.63 -34.23 77.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.343 -0.848 . . . . 1.6899999999999999 109.584 -179.969 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.94 -50.55 73.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.268 -0.895 . . . . 0.27000000000000002 109.599 -179.735 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.28 -46.26 89.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.29999999999999999 109.327 179.868 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.75 -32.66 69.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.331 -0.855 . . . . 1.9299999999999999 109.449 -179.957 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 350' ' ' LEU . 2.7 tt -65.08 -52.8 53.51 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.40000000000000002 109.169 -179.945 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.41 -46.18 89.73 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.328 -0.858 . . . . 1.5900000000000001 109.15 179.894 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 -32.44 68.9 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.534 -0.729 . . . . 1.4299999999999999 109.481 179.88 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -36.82 82.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.65000000000000002 109.763 -179.618 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.1 -7.02 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.96 . . . . 1.1899999999999999 109.602 -179.868 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.52 -11.03 60.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 1.22 109.365 179.917 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.53 -3.37 86.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.586 -1.406 . . . . 1.53 109.586 179.962 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.61 -79.23 0.24 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -1.131 . . . . 4.21 109.786 -179.706 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -45.33 108.75 0.81 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.37 -0.831 . . . . 5.6799999999999997 109.752 -179.595 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.5 155.18 59.66 Favored 'Trans proline' 0 N--CA 1.479 0.641 0 C-N-CA 120.758 0.972 . . . . 5.5700000000000003 110.025 -179.682 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.432 -1.467 . . . . 7.2000000000000002 109.432 179.833 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 78.5 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.347 -0.612 . . . . 8.9600000000000009 109.347 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' C' ' 321' ' ' LYS . 37.7 tttm 73.9 -53.5 0.69 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.713 -0.617 . . . . 8.1500000000000004 109.603 -179.855 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' C' ' 323' ' ' LEU . 34.4 mttm 60.52 146.93 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 7.1500000000000004 109.759 179.75 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -64.96 7.95 0.24 Allowed 'Trans proline' 0 N--CA 1.483 0.855 0 C-N-CA 121.172 1.248 . . . . 4.3499999999999996 110.588 179.792 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.439 ' H ' ' C ' ' C' ' 321' ' ' LYS . 11.2 mt -80.7 17.31 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.947 -1.095 . . . . 4.6299999999999999 110.099 -179.497 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.5 -140.19 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.426 -0.797 . . . . 2.8500000000000001 109.559 179.814 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.617 ' H ' HH21 ' A' ' 333' ' ' ARG . . . -68.8 156.92 53.39 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.651 -1.38 . . . . 1.1200000000000001 109.651 -179.88 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.7 129.95 44.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.232 -1.157 . . . . 2.1099999999999999 109.524 -179.946 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -94.59 156.22 16.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.138 -0.976 . . . . 0.64000000000000001 109.947 -179.869 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.88 -169.07 2.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.565 -0.71 . . . . 0.48999999999999999 109.399 -179.969 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 46.5 p -151.61 148.5 28.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 0.46999999999999997 108.936 -179.785 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 59.6 tp -142.0 135.69 29.54 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.344 -0.847 . . . . 0.41999999999999998 109.705 -179.041 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.81 131.48 34.3 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.436 -0.95 . . . . 1.8100000000000001 108.436 178.983 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.52 116.35 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.451 -0.781 . . . . 0.41999999999999998 109.402 -179.587 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.62 HH21 ' H ' ' A' ' 325' ' ' GLY . 29.7 ttt-85 -75.36 149.5 38.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.638 -0.664 . . . . 2.3500000000000001 109.897 -179.984 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.86 134.23 2.96 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 110.15 -1.18 . . . . 0.40999999999999998 110.15 179.4 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' C' ' 335' ' ' ARG . 0.3 OUTLIER -81.21 -45.89 15.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -1.096 . . . . 2.5899999999999999 109.242 179.588 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.72 -41.07 85.54 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.135 -0.978 . . . . 2.54 108.959 179.672 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.69 -40.26 96.37 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 3.3900000000000001 109.113 179.659 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -55.25 -55.01 36.27 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.541 -0.724 . . . . 0.46999999999999997 109.591 -179.934 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -52.08 -37.06 52.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.783 -179.855 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.5 -51.42 67.49 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.247 -0.908 . . . . 0.60999999999999999 110.118 -179.507 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.27 -44.89 96.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.179 -0.951 . . . . 0.33000000000000002 109.053 -179.821 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.27 -39.26 56.36 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 3.2799999999999998 109.298 179.705 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.06 -54.01 50.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.78 109.849 -179.795 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' C' ' 344' ' ' LEU . 20.2 mt -60.27 -39.54 87.21 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.193 -0.942 . . . . 0.38 108.704 179.67 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.95 -55.24 37.66 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.542 -0.723 . . . . 1.2 109.461 179.568 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.445 ' HB2' ' HZ1' ' D' ' 351' ' ' LYS . 43.8 mt-10 -63.74 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 2.1200000000000001 109.611 -179.916 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.88 -50.6 73.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.267 -0.896 . . . . 0.26000000000000001 109.635 -179.828 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.34 -46.18 89.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.40000000000000002 109.354 179.919 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.85 -32.47 69.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.325 -0.86 . . . . 2.0899999999999999 109.47 -179.962 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' D' ' 350' ' ' LEU . 2.7 tt -65.17 -52.77 52.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 0.75 109.193 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -62.4 -46.18 89.74 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.318 -0.863 . . . . 2.1899999999999999 109.173 179.855 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.57 -32.33 68.82 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.612 -0.68 . . . . 1.3400000000000001 109.572 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.86 82.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.71999999999999997 109.751 -179.643 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.13 -7.05 59.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.145 -0.972 . . . . 1.8 109.552 -179.829 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -11.07 60.52 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.237 -0.915 . . . . 1.3899999999999999 109.428 179.83 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -3.47 86.65 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.555 -1.418 . . . . 1.6599999999999999 109.555 179.97 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.62 -79.18 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.246 -1.149 . . . . 4.4500000000000002 109.828 -179.69 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -45.32 108.75 0.81 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.414 -0.804 . . . . 6.1900000000000004 109.756 -179.659 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.52 155.19 59.7 Favored 'Trans proline' 0 C--O 1.214 -0.676 0 C-N-CA 120.673 0.916 . . . . 5.5800000000000001 110.058 -179.715 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.466 -1.454 . . . . 6.9000000000000004 109.466 179.924 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 78.4 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.358 -0.608 . . . . 7.3600000000000003 109.358 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' D' ' 321' ' ' LYS . 37.7 tttm 73.94 -53.52 0.69 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.6 . . . . 7.1500000000000004 109.581 -179.876 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' D' ' 323' ' ' LEU . 34.3 mttm 60.57 146.97 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.631 -0.668 . . . . 6.5 109.764 179.754 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -65.1 8.04 0.24 Allowed 'Trans proline' 0 N--CA 1.483 0.864 0 C-N-CA 121.191 1.26 . . . . 4.5 110.592 179.752 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' D' ' 321' ' ' LYS . 11.2 mt -80.67 17.2 1.18 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.91 -1.119 . . . . 4.3200000000000003 110.088 -179.546 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.49 -140.08 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.395 -0.816 . . . . 2.46 109.566 179.87 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.616 ' H ' HH21 ' B' ' 333' ' ' ARG . . . -68.86 157.0 53.45 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.683 -1.367 . . . . 0.96999999999999997 109.683 -179.898 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.77 129.93 44.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -1.174 . . . . 1.6699999999999999 109.468 -179.906 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -94.65 156.31 16.47 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.263 -0.898 . . . . 0.60999999999999999 109.874 -179.807 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -136.89 -169.16 2.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.51 -0.744 . . . . 0.56000000000000005 109.402 -179.932 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 46.6 p -151.52 148.65 28.29 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.139 -0.975 . . . . 0.42999999999999999 109.001 -179.909 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.11 135.52 29.17 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.369 -0.832 . . . . 0.34999999999999998 109.673 -178.942 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -85.68 131.46 34.33 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.5 -0.926 . . . . 1.3700000000000001 108.5 178.954 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.52 116.26 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.486 -0.758 . . . . 0.47999999999999998 109.381 -179.53 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.632 HH21 ' H ' ' B' ' 325' ' ' GLY . 29.7 ttt-85 -75.24 149.45 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.618 -0.676 . . . . 2.0800000000000001 109.877 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.82 134.23 2.94 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.144 -1.182 . . . . 0.40000000000000002 110.144 179.365 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' D' ' 335' ' ' ARG . 0.3 OUTLIER -81.23 -45.76 15.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.43 -1.041 . . . . 2.6400000000000001 109.247 179.612 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -58.83 -41.08 86.03 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 2.2200000000000002 108.899 179.695 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.6 -40.26 96.48 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.322 -0.861 . . . . 2.7400000000000002 109.16 179.657 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -55.37 -54.85 38.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.52 -0.737 . . . . 0.42999999999999999 109.637 -179.97 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -52.23 -37.07 54.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.712 -179.816 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -62.44 -51.39 67.7 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 110.188 -179.553 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.24 -44.9 96.51 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.187 -0.946 . . . . 0.27000000000000002 109.149 -179.961 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -51.24 -39.25 56.26 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.168 -0.958 . . . . 2.4500000000000002 109.271 179.688 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.13 -53.94 50.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 109.808 -179.724 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.34 -39.53 87.46 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.157 -0.964 . . . . 0.31 108.646 179.777 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.495 -0.753 . . . . 1.22 109.399 179.626 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.76 -34.16 77.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.41 -0.806 . . . . 1.73 109.586 -179.879 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.96 -50.52 73.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 0.28000000000000003 109.598 -179.769 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.33 -46.21 89.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.289 -0.882 . . . . 0.31 109.341 179.879 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -58.84 -32.5 69.48 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.473 -179.916 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.655 HD22 HD22 ' C' ' 350' ' ' LEU . 2.6 tt -65.02 -52.89 53.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.42999999999999999 109.234 179.913 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.445 ' HZ1' ' HB2' ' C' ' 346' ' ' GLU . 32.1 ttmt -62.41 -46.21 89.62 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.355 -0.841 . . . . 1.5700000000000001 109.097 179.903 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.52 -32.41 68.81 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.55 -0.719 . . . . 1.4399999999999999 109.539 179.913 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.83 82.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.3 -0.875 . . . . 0.64000000000000001 109.772 -179.57 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.06 -7.05 59.6 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.227 -0.92 . . . . 1.21 109.612 -179.928 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.56 -10.98 60.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 1.22 109.37 179.888 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -3.37 86.66 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.574 -1.411 . . . . 1.5 109.574 179.909 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -85.67 -79.21 0.25 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.304 -1.115 . . . . 4.1799999999999997 109.741 -179.624 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -45.35 108.75 0.81 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 5.6699999999999999 109.736 -179.65 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.59 155.28 59.54 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 120.641 0.894 . . . . 5.6500000000000004 110.053 -179.667 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.953 -1.471 . . . . 7.2699999999999996 109.496 179.9 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_